A0A5K4FAK1_SCHMA Loading...

non-specific serine/threonine protein kinase

AlphaFold DB , UniProt , Accession A0A5K4FAK1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 629 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
1M54.6Low69.7Low165 Ų16584.4 Ų84.481%0.81345%0.445SS*.  0-36.80-80.3-16089.700112.6D3 V19M1-D3 PolarHBondContact O-N 3.17Å; M1-V19 VanDerWaalsContact SD-O 3.33Å
2L55.8Low70.6Confident39 Ų3979.2 Ų79.220%0.20442%0.417CS..  trans-71.7123153.2-75.7168.6000107.5H6 L13 V18 Y31L2-H6 HydrophobicContact CB-CB 4.18Å; L2-H6 HydrophobicContact CD2-CB 3.95Å; L2-H6 HydrophobicContact CG-CB 4.45Å; L2-L13 HydrophobicContact CD1-CD1 3.01Å; L2-L13 HydrophobicContact CD1-CG 4.47Å; L2-V18 HydrophobicContact CD1-CG2 3.58Å; L2-V18 HydrophobicContact CG-CG1 4.42Å; L2-V18 HydrophobicContact CG-CG2 3.98Å; L2-Y31 HydrophobicContact CD2-CD1 4.24Å; L2-Y31 HydrophobicContact CD2-CE1 3.74Å; L2-Y31 HydrophobicContact CD2-CE2 4.06Å
3D56Low71.8Confident116 Ų11674.5 Ų74.562%0.6239%0.392SS*.  trans-56.9163.3174.6-82.7-35.4000110.8M1 D5 H6M1-D3 PolarHBondContact O-N 3.17Å; D3-D5 HydrophobicContact CB-CB 4.22Å; D3-D5 PolarHBondContact O-N 3.36Å; D3-H6 PolarHBondContact O-N 2.89Å
4Q58.5Low72.9Confident153 Ų15376.6 Ų76.672%0.71540%0.404SS*.G310 helixtrans-52.4-11.4168.4-69.1-174.5-6.600113.1N7 K86Q4-N7 PolarHBondContact O-ND2 3.03Å; Q4-K86 PolarHBondContact O-NZ 2.84Å
5D62.3Low74Confident73 Ų7379.9 Ų79.939%0.3942%0.416SS..G310 helixtrans-74.9-17.3176.7-66.2-18.2000114.2D3 H8 N84 K86D3-D5 HydrophobicContact CB-CB 4.22Å; D3-D5 PolarHBondContact O-N 3.36Å; D5-H8 PolarHBondContact O-CE1 2.87Å; D5-H8 PolarHBondContact O-ND1 3.04Å; D5-N84 PolarHBondContact O-ND2 3.14Å; D5-K86 IonicContact OD1-NZ 2.8Å; D5-K86 PolarHBondContact OD1-NZ 3.48Å
6H72.2Confident75.1Confident33 Ų3375.4 Ų75.415%0.15339%0.392CS..G310 helixtrans-107.124.1-179.1-64.6-67.7000114.6L2 D3 H8 M9L2-H6 HydrophobicContact CB-CB 4.18Å; L2-H6 HydrophobicContact CD2-CB 3.95Å; L2-H6 HydrophobicContact CG-CB 4.45Å; D3-H6 PolarHBondContact O-N 2.89Å; H6-H8 AromaticContact ND1-CE1 3.34Å; H6-H8 PolarHBondContact ND1-CE1 3.41Å; H6-H8 VanDerWaalsContact ND1-CE1 3.34Å; H6-H8 AromaticContact ND1-NE2 3.56Å; H6-H8 PolarHBondContact O-N 3.46Å; H6-M9 WeakPolarHBondContact O-CB 3.31Å; H6-M9 PolarHBondContact O-N 3.49Å
7N76.9Confident76.1Confident110 Ų11074.9 Ų74.959%0.58839%0.387SS*.G310 helixtrans-54.9-26176.1-78.9-16.8000113.8Q4 M9 K10Q4-N7 PolarHBondContact O-ND2 3.03Å; N7-M9 PolarHBondContact O-N 3.34Å; N7-K10 VanDerWaalsContact O-CB 3.29Å; N7-K10 WeakPolarHBondContact O-CB 3.46Å; N7-K10 PolarHBondContact O-N 3.42Å; N7-K10 VanDerWaalsContact O-N 3.13Å
8H80.1Confident76.9Confident34 Ų3472.3 Ų72.316%0.15738%0.376CS..G310 helixtrans-63.2-17.8173.858.2-91.8000113.8D5 H6 S82 M83 N84 Y91D5-H8 PolarHBondContact O-CE1 2.87Å; D5-H8 PolarHBondContact O-ND1 3.04Å; H6-H8 AromaticContact ND1-CE1 3.34Å; H6-H8 PolarHBondContact ND1-CE1 3.41Å; H6-H8 VanDerWaalsContact ND1-CE1 3.34Å; H6-H8 AromaticContact ND1-NE2 3.56Å; H6-H8 PolarHBondContact O-N 3.46Å; H8-S82 PolarHBondContact CD2-OG 3.04Å; H8-S82 VanDerWaalsContact CD2-OG 3.32Å; H8-M83 VanDerWaalsContact CB-O 3.26Å; H8-M83 WeakPolarHBondContact CB-O 3.32Å; H8-N84 WeakPolarHBondContact ND1-CB 3.32Å; H8-Y91 AromaticContact NE2-CD2 3.87Å
9M85.3Confident77.7Confident0 Ų071.1 Ų71.10%037%0.372CS..G310 helixtrans-91.6-0.9176.3-63.9-60.2-68.400113.5H6 N7 G11 I12 L13 L44 M46 S82 S93H6-M9 WeakPolarHBondContact O-CB 3.31Å; H6-M9 PolarHBondContact O-N 3.49Å; N7-M9 PolarHBondContact O-N 3.34Å; M9-G11 PolarHBondContact O-N 3.11Å; M9-I12 HydrophobicContact CE-CB 4.17Å; M9-I12 HydrophobicContact CE-CD1 3.46Å; M9-I12 VanDerWaalsContact CE-CD1 3.46Å; M9-I12 HydrophobicContact CE-CG1 4.42Å; M9-I12 HydrophobicContact CE-CG2 3.99Å; M9-I12 WeakPolarHBondContact O-CB 3.43Å; M9-I12 PolarHBondContact O-N 2.93Å; M9-I12 VanDerWaalsContact O-N 3.09Å; M9-I12 HydrophobicContact SD-CD1 3.58Å; M9-I12 VanDerWaalsContact SD-CD1 3.58Å; M9-L13 HydrophobicContact CB-CD1 3.77Å; M9-L13 HydrophobicContact CB-CG 4.32Å; M9-L13 WeakPolarHBondContact O-CG 3.44Å; M9-L13 PolarHBondContact O-N 3.41Å; M9-L44 HydrophobicContact CE-CD1 4.12Å; M9-L44 HydrophobicContact CE-CD2 4.16Å; M9-M46 HydrophobicContact CE-CE 4.41Å; M9-M46 HydrophobicContact CG-CE 3.59Å; M9-M46 HydrophobicContact CG-SD 4.24Å; M9-M46 HydrophobicContact SD-CE 3.86Å; M9-S82 PolarHBondContact SD-OG 3.13Å; M9-S93 VanDerWaalsContact CE-OG 3.31Å; M9-S93 WeakPolarHBondContact CE-OG 3.39Å
10K83.1Confident78.5Confident145 Ų14571.6 Ų71.663%0.6337%0.372SS*.Hα-helixtrans-55.7-51-170.2-170.3177.1179.3-1760112.5N7 I12 L13 D14N7-K10 VanDerWaalsContact O-CB 3.29Å; N7-K10 WeakPolarHBondContact O-CB 3.46Å; N7-K10 PolarHBondContact O-N 3.42Å; N7-K10 VanDerWaalsContact O-N 3.13Å; K10-I12 VanDerWaalsContact C-N 3.27Å; K10-I12 PolarHBondContact O-N 3.49Å; K10-L13 CarbonylContact O-C 3.57Å; K10-L13 PolarHBondContact O-N 3.38Å; K10-D14 PolarHBondContact O-N 2.95Å
11G81.7Confident79.1Confident60 Ų6071.3 Ų71.362%0.61938%0.375SS*.Hα-helixtrans-61.7-31.9179.500000114.2M9 L13M9-G11 PolarHBondContact O-N 3.11Å; G11-L13 VanDerWaalsContact C-N 3.32Å
12I80.9Confident80.7Confident22 Ų2267 Ų6711%0.11336%0.355CS..Hα-helixtrans-70.5-34.9176.4-62161.9000110.4M9 K10 Y16 H80 I95M9-I12 HydrophobicContact CE-CB 4.17Å; M9-I12 HydrophobicContact CE-CD1 3.46Å; M9-I12 VanDerWaalsContact CE-CD1 3.46Å; M9-I12 HydrophobicContact CE-CG1 4.42Å; M9-I12 HydrophobicContact CE-CG2 3.99Å; M9-I12 WeakPolarHBondContact O-CB 3.43Å; M9-I12 PolarHBondContact O-N 2.93Å; M9-I12 VanDerWaalsContact O-N 3.09Å; M9-I12 HydrophobicContact SD-CD1 3.58Å; M9-I12 VanDerWaalsContact SD-CD1 3.58Å; K10-I12 VanDerWaalsContact C-N 3.27Å; K10-I12 PolarHBondContact O-N 3.49Å; I12-Y16 WeakPolarHBondContact O-CD2 3.4Å; I12-H80 HydrophobicContact CD1-CB 3.39Å; I12-H80 HydrophobicContact CG1-CB 3.94Å; I12-H80 VanDerWaalsContact CG2-CD2 3.43Å; I12-H80 WeakPolarHBondContact CG2-CD2 3.5Å; I12-I95 HydrophobicContact CG2-CD1 4.02Å
13L85.7Confident82Confident18 Ų1866.7 Ų66.79%0.09436%0.362CS..Hα-helixtrans-96.11.8-173.6-65.3171.8000113.8L2 M9 K10 G11 Q15 Y16 V18 L33 L44L2-L13 HydrophobicContact CD1-CD1 3.01Å; L2-L13 HydrophobicContact CD1-CG 4.47Å; M9-L13 HydrophobicContact CB-CD1 3.77Å; M9-L13 HydrophobicContact CB-CG 4.32Å; M9-L13 WeakPolarHBondContact O-CG 3.44Å; M9-L13 PolarHBondContact O-N 3.41Å; K10-L13 CarbonylContact O-C 3.57Å; K10-L13 PolarHBondContact O-N 3.38Å; G11-L13 VanDerWaalsContact C-N 3.32Å; L13-Q15 PolarHBondContact O-N 3.2Å; L13-Q15 VanDerWaalsContact O-N 3.16Å; L13-Y16 CarbonylContact O-C 3.57Å; L13-Y16 WeakPolarHBondContact O-CA 3.48Å; L13-Y16 PolarHBondContact O-N 3.15Å; L13-V18 HydrophobicContact CD1-CG2 4.19Å; L13-V18 HydrophobicContact CD2-CG2 4.35Å; L13-L33 HydrophobicContact CD2-CD1 3.98Å; L13-L33 HydrophobicContact CD2-CD2 3.87Å; L13-L44 HydrophobicContact CD2-CD2 4.19Å
14D88.2Confident82.9Confident104 Ų10467.3 Ų67.356%0.55636%0.359SS*.THydrogen-bonded Turntrans-56.6-35.4-179.5-78.2-18.1000111.7K10 Y16 R36K10-D14 PolarHBondContact O-N 2.95Å; D14-Y16 VanDerWaalsContact C-N 3.32Å; D14-R36 WeakPolarHBondContact O-CD 3.49Å; D14-R36 PolarHBondContact O-NE 3.4Å
15Q88.6Confident83.2Confident126 Ų12661 Ų6159%0.58934%0.335SS*.THydrogen-bonded Turntrans-84.2-6.2177.9-58.1-177.416.300113.8L13 R36L13-Q15 PolarHBondContact O-N 3.2Å; L13-Q15 VanDerWaalsContact O-N 3.16Å; Q15-R36 WeakPolarHBondContact O-CG 3.27Å; Q15-R36 PolarHBondContact O-N 2.92Å
16Y91.7Very high83.2Confident8 Ų859 Ų593%0.03133%0.326CS..EExtended strand (participates in β ladder)trans-123.6155.3-170.3-61.6-80.6000112.2I12 L13 D14 L33 R34 R35 R36 F42 E78 I95I12-Y16 WeakPolarHBondContact O-CD2 3.4Å; L13-Y16 CarbonylContact O-C 3.57Å; L13-Y16 WeakPolarHBondContact O-CA 3.48Å; L13-Y16 PolarHBondContact O-N 3.15Å; D14-Y16 VanDerWaalsContact C-N 3.32Å; Y16-L33 HydrophobicContact CD1-CB 4.05Å; Y16-L33 HydrophobicContact CD1-CD1 4.06Å; Y16-L33 HydrophobicContact CD2-CD1 4.38Å; Y16-L33 HydrophobicContact CG-CB 4.44Å; Y16-L33 HydrophobicContact CG-CD1 3.94Å; Y16-R34 CarbonylContact C-O 3.44Å; Y16-R34 WeakPolarHBondContact CA-O 3.38Å; Y16-R35 HydrophobicContact CD1-CB 3.99Å; Y16-R35 HydrophobicContact CD1-CG 3.95Å; Y16-R35 HydrophobicContact CE1-CB 3.91Å; Y16-R35 HydrophobicContact CE1-CG 3.63Å; Y16-R36 PolarHBondContact O-NE 3.02Å; Y16-R36 PolarHBondContact O-NH2 2.74Å; Y16-F42 HydrophobicContact CD1-CD2 4.31Å; Y16-F42 AromaticContact CE1-CD2 3.77Å; Y16-F42 HydrophobicContact CE1-CD2 3.77Å; Y16-F42 HydrophobicContact CE1-CE2 4.22Å; Y16-F42 HydrophobicContact CE1-CG 4.11Å; Y16-E78 PolarHBondContact OH-OE1 2.89Å; Y16-I95 HydrophobicContact CD2-CD1 4.47Å; Y16-I95 HydrophobicContact CE2-CD1 4Å
17E91.4Very high82.8Confident67 Ų6758 Ų5831%0.31332%0.321SS..EExtended strand (participates in β ladder)trans-114.8128.8166.6-179.4-174.517000108.3V19 L33 R34E17-V19 PolarHBondContact O-N 2.88Å; E17-L33 CarbonylContact O-C 3.58Å; E17-L33 VanDerWaalsContact O-CA 3.32Å; E17-L33 WeakPolarHBondContact O-CA 3.42Å; E17-R34 HydrophobicContact CB-CB 4.48Å; E17-R34 VanDerWaalsContact CD-NH2 3.3Å; E17-R34 PolarHBondContact N-O 3.19Å; E17-R34 PolarHBondContact O-N 3.09Å; E17-R34 IonicContact OE1-NH2 2.93Å; E17-R34 PolarHBondContact OE1-NH2 2.82Å; E17-R34 IonicContact OE2-CZ 3.34Å; E17-R34 VanDerWaalsContact OE2-CZ 3.24Å; E17-R34 IonicContact OE2-NE 3.82Å; E17-R34 PolarHBondContact OE2-NE 3.34Å; E17-R34 VanDerWaalsContact OE2-NE 3.11Å; E17-R34 IonicContact OE2-NH2 3.74Å; E17-R34 PolarHBondContact OE2-NH2 3.41Å
18V91.8Very high82.9Confident29 Ų2952.8 Ų52.818%0.17629%0.294CS..EExtended strand (participates in β ladder)trans-80.4113.9174.9-175.70000108.6L2 L13 Y31 L33L2-V18 HydrophobicContact CD1-CG2 3.58Å; L2-V18 HydrophobicContact CG-CG1 4.42Å; L2-V18 HydrophobicContact CG-CG2 3.98Å; L13-V18 HydrophobicContact CD1-CG2 4.19Å; L13-V18 HydrophobicContact CD2-CG2 4.35Å; V18-Y31 HydrophobicContact CG1-CD1 3.97Å; V18-Y31 HydrophobicContact CG1-CG 4.42Å; V18-L33 HydrophobicContact CB-CD2 4.32Å; V18-L33 HydrophobicContact CG2-CD2 3.72Å
19V92Very high83.1Confident49 Ų4952.2 Ų52.230%0.29729%0.293SS..EExtended strand (participates in β ladder)trans-85.2-51.3-175.1-178.90000110.8M1 E17 K32 R34 Y41M1-V19 VanDerWaalsContact SD-O 3.33Å; E17-V19 PolarHBondContact O-N 2.88Å; V19-K32 HydrophobicContact CB-CB 4.37Å; V19-K32 HydrophobicContact CB-CG 4.37Å; V19-K32 PolarHBondContact N-O 3.42Å; V19-R34 HydrophobicContact CG2-CB 3.62Å; V19-Y41 HydrophobicContact CG2-CD1 4.46Å; V19-Y41 HydrophobicContact CG2-CE1 4.1Å
20E92.9Very high83.3Confident80 Ų8053.2 Ų53.237%0.37430%0.3SS..EExtended strand (participates in β ladder)trans-157.5158.1-177.961-176.6162.800111.9L22 Y31 K32E20-L22 HydrophobicContact CG-CD2 4.11Å; E20-Y31 WeakPolarHBondContact O-CA 3.33Å; E20-K32 HydrophobicContact CG-CB 3.69Å; E20-K32 HydrophobicContact CG-CD 4.03Å; E20-K32 PolarHBondContact O-N 3.13Å; E20-K32 WeakPolarHBondContact OE1-CD 3.46Å; E20-K32 IonicContact OE1-NZ 2.71Å
21C91.6Very high83.8Confident66 Ų6647.3 Ų47.345%0.44627%0.274SS..EExtended strand (participates in β ladder)trans-85116.3167.7-176.60000108.6G23 Y31C21-G23 VanDerWaalsContact C-N 3.35Å; C21-Y31 HydrophobicContact CB-CD1 4.13Å; C21-Y31 HydrophobicContact CB-CE1 4.09Å
22L87.9Confident84.4Confident75 Ų7545.8 Ų45.839%0.39325%0.25SS..EExtended strand (participates in β ladder)trans-78-23-179.7-64.9173.9000112.1E20 S30 K32 V43E20-L22 HydrophobicContact CG-CD2 4.11Å; L22-S30 PolarHBondContact N-O 3.28Å; L22-K32 HydrophobicContact CD1-CB 4.09Å; L22-K32 HydrophobicContact CD2-CB 4.03Å; L22-K32 HydrophobicContact CG-CB 4Å; L22-V43 HydrophobicContact CD1-CG1 4.22Å; L22-V43 HydrophobicContact CD1-CG2 3.91Å
23G82.6Confident85.1Confident33 Ų3344.8 Ų44.834%0.3425%0.245SC..EExtended strand (participates in β ladder)trans149.7164.317400000114.1C21 T29 S30C21-G23 VanDerWaalsContact C-N 3.35Å; G23-T29 WeakPolarHBondContact O-CA 3.19Å; G23-S30 PolarHBondContact N-O 3.48Å; G23-S30 PolarHBondContact O-N 2.76Å
24K74.8Confident85.5Confident129 Ų12947.5 Ų47.556%0.56125%0.254SS*.EExtended strand (participates in β ladder)trans-113.5114.3177-173.7171.8-177.5176.50110.4T29 R210K24-T29 HydrophobicContact CB-CG2 4.38Å; K24-R210 VanDerWaalsContact O-CZ 3.22Å; K24-R210 PolarHBondContact O-NH1 2.77Å; K24-R210 PolarHBondContact O-NH2 3.06Å
25G66.3Low85.6Confident20 Ų2045.4 Ų45.421%0.20624%0.238CC..  trans-96.3-178.8178.200000114.1Q27 G28 R173 R210G25-Q27 VanDerWaalsContact C-N 3.34Å; G25-G28 WeakPolarHBondContact CA-O 3.42Å; G25-G28 PolarHBondContact N-O 3.04Å; G25-R173 PolarHBondContact O-NH1 3.29Å; G25-R173 VanDerWaalsContact O-NH1 3.13Å; G25-R210 VanDerWaalsContact CA-NH2 3.26Å; G25-R210 PolarHBondContact O-NH2 3.38Å
26C61Low85.6Confident31 Ų3146.6 Ų46.621%0.20924%0.237CC..SBendtrans-61.9-44.3167.950.20000110.9G28 R173C26-G28 PolarHBondContact O-N 3.4Å; C26-R173 PolarHBondContact O-NH1 3.01Å
27Q64.7Low85.3Confident12 Ų1251.6 Ų51.66%0.05627%0.265CS..SBendtrans-68.2-26.9-179.6-64.4165.9-2.500113.9G25 I47 M169G25-Q27 VanDerWaalsContact C-N 3.34Å; Q27-I47 WeakPolarHBondContact O-CA 3.31Å; Q27-I47 WeakPolarHBondContact O-CG1 3.45Å; Q27-I47 VanDerWaalsContact O-CG2 3.3Å; Q27-I47 WeakPolarHBondContact O-CG2 3.42Å; Q27-M169 HydrophobicContact CG-CE 3.74Å; Q27-M169 HydrophobicContact CG-SD 4.08Å; Q27-M169 PolarHBondContact NE2-SD 3.36Å
28G77.8Confident84.8Confident1 Ų151.2 Ų51.21%0.0126%0.264CS..  trans156.6-173-169.800000114.6G25 C26 M46G25-G28 WeakPolarHBondContact CA-O 3.42Å; G25-G28 PolarHBondContact N-O 3.04Å; C26-G28 PolarHBondContact O-N 3.4Å; G28-M46 CarbonylContact C-O 3.56Å; G28-M46 WeakPolarHBondContact CA-O 3.49Å
29T85.2Confident84.3Confident22 Ų2254.9 Ų54.914%0.13528%0.283CS..EExtended strand (participates in β ladder)trans-107.6134.6177.7-49.70000110.2G23 K24 Y31 M46G23-T29 WeakPolarHBondContact O-CA 3.19Å; K24-T29 HydrophobicContact CB-CG2 4.38Å; T29-Y31 HydrophobicContact CG2-CD2 4.29Å; T29-Y31 HydrophobicContact CG2-CE1 4.21Å; T29-Y31 HydrophobicContact CG2-CE2 3.53Å; T29-Y31 VanDerWaalsContact CG2-CZ 3.48Å; T29-Y31 WeakPolarHBondContact CG2-OH 3.31Å; T29-M46 PolarHBondContact N-O 3.11Å; T29-M46 PolarHBondContact O-N 3.47Å
30S90.1Very high84.2Confident21 Ų2157.4 Ų57.415%0.14729%0.291CS..EExtended strand (participates in β ladder)trans-104.1136.6176.5-62.40000110.9L22 G23 L44 K45L22-S30 PolarHBondContact N-O 3.28Å; G23-S30 PolarHBondContact N-O 3.48Å; G23-S30 PolarHBondContact O-N 2.76Å; S30-L44 CarbonylContact C-O 3.51Å; S30-L44 VanDerWaalsContact CA-O 3.27Å; S30-L44 WeakPolarHBondContact CA-O 3.48Å; S30-K45 WeakPolarHBondContact OG-CD 3.27Å
31Y93.1Very high84.2Confident20 Ų2058.5 Ų58.58%0.07829%0.293CS..EExtended strand (participates in β ladder)trans-126.3140.6176.4-60.3-89.3000110.1L2 V18 E20 C21 T29 V43 L44 M46L2-Y31 HydrophobicContact CD2-CD1 4.24Å; L2-Y31 HydrophobicContact CD2-CE1 3.74Å; L2-Y31 HydrophobicContact CD2-CE2 4.06Å; V18-Y31 HydrophobicContact CG1-CD1 3.97Å; V18-Y31 HydrophobicContact CG1-CG 4.42Å; E20-Y31 WeakPolarHBondContact O-CA 3.33Å; C21-Y31 HydrophobicContact CB-CD1 4.13Å; C21-Y31 HydrophobicContact CB-CE1 4.09Å; T29-Y31 HydrophobicContact CG2-CD2 4.29Å; T29-Y31 HydrophobicContact CG2-CE1 4.21Å; T29-Y31 HydrophobicContact CG2-CE2 3.53Å; T29-Y31 VanDerWaalsContact CG2-CZ 3.48Å; T29-Y31 WeakPolarHBondContact CG2-OH 3.31Å; Y31-V43 CarbonylContact O-C 3.54Å; Y31-V43 WeakPolarHBondContact O-CA 3.49Å; Y31-L44 HydrophobicContact CD2-CD2 4.2Å; Y31-L44 HydrophobicContact CD2-CG 4.45Å; Y31-L44 PolarHBondContact N-O 3.26Å; Y31-L44 PolarHBondContact O-N 2.88Å; Y31-M46 HydrophobicContact CD2-CG 4.38Å; Y31-M46 HydrophobicContact CD2-SD 4.19Å; Y31-M46 HydrophobicContact CE2-CG 4.22Å; Y31-M46 HydrophobicContact CE2-SD 3.69Å
32K95Very high84.4Confident29 Ų2955.7 Ų55.713%0.12627%0.273CS..EExtended strand (participates in β ladder)trans-83.4126.7167.7-170.4174.5-177.6170.70108.6V19 E20 L22 Y41 Y98V19-K32 HydrophobicContact CB-CB 4.37Å; V19-K32 HydrophobicContact CB-CG 4.37Å; V19-K32 PolarHBondContact N-O 3.42Å; E20-K32 HydrophobicContact CG-CB 3.69Å; E20-K32 HydrophobicContact CG-CD 4.03Å; E20-K32 PolarHBondContact O-N 3.13Å; E20-K32 WeakPolarHBondContact OE1-CD 3.46Å; E20-K32 IonicContact OE1-NZ 2.71Å; L22-K32 HydrophobicContact CD1-CB 4.09Å; L22-K32 HydrophobicContact CD2-CB 4.03Å; L22-K32 HydrophobicContact CG-CB 4Å; K32-Y41 HydrophobicContact CD-CD1 4.36Å; K32-Y41 HydrophobicContact CG-CD1 4.22Å; K32-Y98 HydrophobicContact CD-CD2 4.24Å; K32-Y98 HydrophobicContact CD-CE2 3.92Å; K32-Y98 HydrophobicContact CG-CD2 4.1Å; K32-Y98 HydrophobicContact CG-CE2 4.24Å
33L94.9Very high84.7Confident0 Ų052.5 Ų52.50%026%0.256CS..EExtended strand (participates in β ladder)trans-108.8149.9176.4-56.5-174.2000109.9L13 Y16 E17 V18 Y41 F42 L44 I95L13-L33 HydrophobicContact CD2-CD1 3.98Å; L13-L33 HydrophobicContact CD2-CD2 3.87Å; Y16-L33 HydrophobicContact CD1-CB 4.05Å; Y16-L33 HydrophobicContact CD1-CD1 4.06Å; Y16-L33 HydrophobicContact CD2-CD1 4.38Å; Y16-L33 HydrophobicContact CG-CB 4.44Å; Y16-L33 HydrophobicContact CG-CD1 3.94Å; E17-L33 CarbonylContact O-C 3.58Å; E17-L33 VanDerWaalsContact O-CA 3.32Å; E17-L33 WeakPolarHBondContact O-CA 3.42Å; V18-L33 HydrophobicContact CB-CD2 4.32Å; V18-L33 HydrophobicContact CG2-CD2 3.72Å; L33-Y41 CarbonylContact O-C 3.55Å; L33-Y41 VanDerWaalsContact O-CA 3.28Å; L33-Y41 WeakPolarHBondContact O-CA 3.22Å; L33-F42 HydrophobicContact CB-CB 4.13Å; L33-F42 PolarHBondContact N-O 3.42Å; L33-F42 PolarHBondContact O-N 2.98Å; L33-L44 HydrophobicContact CD1-CB 3.66Å; L33-L44 HydrophobicContact CD2-CB 4.22Å; L33-L44 HydrophobicContact CG-CB 3.88Å; L33-I95 HydrophobicContact CD1-CD1 4.12Å; L33-I95 HydrophobicContact CD1-CG1 4.42Å
34R94.2Very high85.2Confident75 Ų7550.9 Ų50.928%0.28324%0.24SC..EExtended strand (participates in β ladder)trans-119.1124.3165.7178.8172.870.9179.62.6108.3Y16 E17 V19 L39 E40 Y41Y16-R34 CarbonylContact C-O 3.44Å; Y16-R34 WeakPolarHBondContact CA-O 3.38Å; E17-R34 HydrophobicContact CB-CB 4.48Å; E17-R34 VanDerWaalsContact CD-NH2 3.3Å; E17-R34 PolarHBondContact N-O 3.19Å; E17-R34 PolarHBondContact O-N 3.09Å; E17-R34 IonicContact OE1-NH2 2.93Å; E17-R34 PolarHBondContact OE1-NH2 2.82Å; E17-R34 IonicContact OE2-CZ 3.34Å; E17-R34 VanDerWaalsContact OE2-CZ 3.24Å; E17-R34 IonicContact OE2-NE 3.82Å; E17-R34 PolarHBondContact OE2-NE 3.34Å; E17-R34 VanDerWaalsContact OE2-NE 3.11Å; E17-R34 IonicContact OE2-NH2 3.74Å; E17-R34 PolarHBondContact OE2-NH2 3.41Å; V19-R34 HydrophobicContact CG2-CB 3.62Å; R34-L39 HydrophobicContact CG-CD2 4.45Å; R34-E40 CarbonylContact C-O 3.5Å; R34-E40 WeakPolarHBondContact CA-O 3.47Å; R34-Y41 HydrophobicContact CB-CD1 4.11Å; R34-Y41 HydrophobicContact CB-CE1 4Å; R34-Y41 HydrophobicContact CG-CE1 4.25Å
35R90.3Very high86Confident61 Ų6145.4 Ų45.423%0.2322%0.216CC..EExtended strand (participates in β ladder)trans-74.2136.4176.8-152.2175.381-173.214.7109.4Y16 D37 N38 L39 E40 F42Y16-R35 HydrophobicContact CD1-CB 3.99Å; Y16-R35 HydrophobicContact CD1-CG 3.95Å; Y16-R35 HydrophobicContact CE1-CB 3.91Å; Y16-R35 HydrophobicContact CE1-CG 3.63Å; R35-D37 WeakPolarHBondContact CD-OD1 3.39Å; R35-D37 VanDerWaalsContact CG-OD1 3.22Å; R35-D37 WeakPolarHBondContact CG-OD1 3.34Å; R35-D37 IonicContact CZ-OD1 3.27Å; R35-D37 IonicContact CZ-OD2 3.24Å; R35-D37 IonicContact NE-OD1 3.38Å; R35-D37 PolarHBondContact NE-OD1 3.35Å; R35-D37 IonicContact NE-OD2 3.08Å; R35-D37 PolarHBondContact NE-OD2 3.43Å; R35-D37 IonicContact NH2-OD1 3.11Å; R35-D37 PolarHBondContact NH2-OD1 3.29Å; R35-D37 IonicContact NH2-OD2 2.63Å; R35-D37 PolarHBondContact NH2-OD2 3.32Å; R35-D37 PolarHBondContact O-N 3.05Å; R35-N38 VanDerWaalsContact CZ-CG 3.48Å; R35-N38 PolarHBondContact NE-OD1 2.9Å; R35-N38 VanDerWaalsContact NH2-CG 3.28Å; R35-N38 PolarHBondContact NH2-ND2 3.01Å; R35-L39 VanDerWaalsContact O-CA 3.29Å; R35-L39 WeakPolarHBondContact O-CA 3.48Å; R35-L39 PolarHBondContact O-N 3.34Å; R35-E40 PolarHBondContact N-O 3.08Å; R35-E40 IonicContact NH1-OE2 3.92Å; R35-F42 HydrophobicContact CB-CD2 4.1Å; R35-F42 HydrophobicContact CB-CE2 3.61Å; R35-F42 HydrophobicContact CG-CE2 4.31Å
36R88.9Confident87Confident150 Ų15044.6 Ų44.657%0.56621%0.207SC*.THydrogen-bonded Turntrans-73.9-25.2-167.8-68.7178.6-177.4-83.8-5.6114.2D14 Q15 Y16D14-R36 WeakPolarHBondContact O-CD 3.49Å; D14-R36 PolarHBondContact O-NE 3.4Å; Q15-R36 WeakPolarHBondContact O-CG 3.27Å; Q15-R36 PolarHBondContact O-N 2.92Å; Y16-R36 PolarHBondContact O-NE 3.02Å; Y16-R36 PolarHBondContact O-NH2 2.74Å
37D84.9Confident88.2Confident114 Ų11443.1 Ų43.161%0.6120%0.197SC*.THydrogen-bonded Turntrans-85.5-39.1-174.464.2-26.4000113.5R35R35-D37 WeakPolarHBondContact CD-OD1 3.39Å; R35-D37 VanDerWaalsContact CG-OD1 3.22Å; R35-D37 WeakPolarHBondContact CG-OD1 3.34Å; R35-D37 IonicContact CZ-OD1 3.27Å; R35-D37 IonicContact CZ-OD2 3.24Å; R35-D37 IonicContact NE-OD1 3.38Å; R35-D37 PolarHBondContact NE-OD1 3.35Å; R35-D37 IonicContact NE-OD2 3.08Å; R35-D37 PolarHBondContact NE-OD2 3.43Å; R35-D37 IonicContact NH2-OD1 3.11Å; R35-D37 PolarHBondContact NH2-OD1 3.29Å; R35-D37 IonicContact NH2-OD2 2.63Å; R35-D37 PolarHBondContact NH2-OD2 3.32Å; R35-D37 PolarHBondContact O-N 3.05Å
38N80.8Confident89.1Confident58 Ų5845.8 Ų45.831%0.3121%0.209SC..THydrogen-bonded Turntrans-124.60.2-173.575.7-10.2000114.3R35 E40R35-N38 VanDerWaalsContact CZ-CG 3.48Å; R35-N38 PolarHBondContact NE-OD1 2.9Å; R35-N38 VanDerWaalsContact NH2-CG 3.28Å; R35-N38 PolarHBondContact NH2-ND2 3.01Å; N38-E40 VanDerWaalsContact ND2-CG 3.33Å; N38-E40 WeakPolarHBondContact ND2-CG 3.43Å; N38-E40 PolarHBondContact ND2-OE2 3.43Å; N38-E40 PolarHBondContact O-N 3.15Å; N38-E40 VanDerWaalsContact O-N 3.13Å; N38-E40 WeakPolarHBondContact OD1-CB 3.33Å; N38-E40 PolarHBondContact OD1-N 2.88Å
39L82.4Confident89.2Confident106 Ų10646.1 Ų46.156%0.55521%0.212SC*.  trans61.813.6179.4-51.5175.6000114.9R34 R35R34-L39 HydrophobicContact CG-CD2 4.45Å; R35-L39 VanDerWaalsContact O-CA 3.29Å; R35-L39 WeakPolarHBondContact O-CA 3.48Å; R35-L39 PolarHBondContact O-N 3.34Å
40E88.2Confident88.7Confident103 Ų10352.8 Ų52.848%0.48123%0.234SC..  trans-69.1150.1174.2-75.1179168.400111.4R34 R35 N38 F42R34-E40 CarbonylContact C-O 3.5Å; R34-E40 WeakPolarHBondContact CA-O 3.47Å; R35-E40 PolarHBondContact N-O 3.08Å; R35-E40 IonicContact NH1-OE2 3.92Å; N38-E40 VanDerWaalsContact ND2-CG 3.33Å; N38-E40 WeakPolarHBondContact ND2-CG 3.43Å; N38-E40 PolarHBondContact ND2-OE2 3.43Å; N38-E40 PolarHBondContact O-N 3.15Å; N38-E40 VanDerWaalsContact O-N 3.13Å; N38-E40 WeakPolarHBondContact OD1-CB 3.33Å; N38-E40 PolarHBondContact OD1-N 2.88Å; E40-F42 HydrophobicContact CB-CE2 3.59Å; E40-F42 HydrophobicContact CB-CZ 3.92Å; E40-F42 WeakPolarHBondContact O-CD2 3.28Å; E40-F42 WeakPolarHBondContact O-CE2 3.43Å
41Y94.1Very high88.1Confident103 Ų10353.7 Ų53.740%0.40424%0.241SC..EExtended strand (participates in β ladder)trans-98.4139.8-179.1-67.2-79.2000112.5V19 K32 L33 R34 Y98V19-Y41 HydrophobicContact CG2-CD1 4.46Å; V19-Y41 HydrophobicContact CG2-CE1 4.1Å; K32-Y41 HydrophobicContact CD-CD1 4.36Å; K32-Y41 HydrophobicContact CG-CD1 4.22Å; L33-Y41 CarbonylContact O-C 3.55Å; L33-Y41 VanDerWaalsContact O-CA 3.28Å; L33-Y41 WeakPolarHBondContact O-CA 3.22Å; R34-Y41 HydrophobicContact CB-CD1 4.11Å; R34-Y41 HydrophobicContact CB-CE1 4Å; R34-Y41 HydrophobicContact CG-CE1 4.25Å; Y41-Y98 VanDerWaalsContact C-CB 3.46Å; Y41-Y98 VanDerWaalsContact O-CB 3.25Å; Y41-Y98 WeakPolarHBondContact O-CB 3.1Å; Y41-Y98 PolarHBondContact O-N 3.21Å
42F94.6Very high87.6Confident7 Ų756.8 Ų56.83%0.03126%0.258CS..EExtended strand (participates in β ladder)trans-132166.6179.4-58.2-93.5000110.2Y16 L33 R35 E40 L77 I95 R96Y16-F42 HydrophobicContact CD1-CD2 4.31Å; Y16-F42 AromaticContact CE1-CD2 3.77Å; Y16-F42 HydrophobicContact CE1-CD2 3.77Å; Y16-F42 HydrophobicContact CE1-CE2 4.22Å; Y16-F42 HydrophobicContact CE1-CG 4.11Å; L33-F42 HydrophobicContact CB-CB 4.13Å; L33-F42 PolarHBondContact N-O 3.42Å; L33-F42 PolarHBondContact O-N 2.98Å; R35-F42 HydrophobicContact CB-CD2 4.1Å; R35-F42 HydrophobicContact CB-CE2 3.61Å; R35-F42 HydrophobicContact CG-CE2 4.31Å; E40-F42 HydrophobicContact CB-CE2 3.59Å; E40-F42 HydrophobicContact CB-CZ 3.92Å; E40-F42 WeakPolarHBondContact O-CD2 3.28Å; E40-F42 WeakPolarHBondContact O-CE2 3.43Å; F42-L77 HydrophobicContact CD1-CD1 3.63Å; F42-L77 HydrophobicContact CE1-CD1 3.38Å; F42-I95 HydrophobicContact CB-CG2 4Å; F42-I95 HydrophobicContact CD1-CG2 4.35Å; F42-I95 HydrophobicContact CG-CG2 4.43Å; F42-R96 CarbonylContact C-O 3.57Å; F42-R96 VanDerWaalsContact CA-O 3.29Å; F42-R96 WeakPolarHBondContact CA-O 3.22Å; F42-R96 WeakPolarHBondContact CB-O 3.33Å
43V94.6Very high87Confident7 Ų761 Ų614%0.04228%0.282CS..EExtended strand (participates in β ladder)trans-117.8125.2170.7175.60000108.1L22 Y31 I95 R96 Y98L22-V43 HydrophobicContact CD1-CG1 4.22Å; L22-V43 HydrophobicContact CD1-CG2 3.91Å; Y31-V43 CarbonylContact O-C 3.54Å; Y31-V43 WeakPolarHBondContact O-CA 3.49Å; V43-I95 WeakPolarHBondContact O-CA 3.3Å; V43-R96 HydrophobicContact CB-CG 4.32Å; V43-R96 PolarHBondContact N-O 3.07Å; V43-R96 PolarHBondContact O-N 3.46Å; V43-Y98 HydrophobicContact CG2-CD2 3.71Å; V43-Y98 HydrophobicContact CG2-CG 4.46Å
44L94Very high86.2Confident0 Ų061.2 Ų61.20%028%0.283CS..EExtended strand (participates in β ladder)trans-95.7122.8164.2164.967.3000108.6M9 L13 S30 Y31 L33 M46 V94 I95M9-L44 HydrophobicContact CE-CD1 4.12Å; M9-L44 HydrophobicContact CE-CD2 4.16Å; L13-L44 HydrophobicContact CD2-CD2 4.19Å; S30-L44 CarbonylContact C-O 3.51Å; S30-L44 VanDerWaalsContact CA-O 3.27Å; S30-L44 WeakPolarHBondContact CA-O 3.48Å; Y31-L44 HydrophobicContact CD2-CD2 4.2Å; Y31-L44 HydrophobicContact CD2-CG 4.45Å; Y31-L44 PolarHBondContact N-O 3.26Å; Y31-L44 PolarHBondContact O-N 2.88Å; L33-L44 HydrophobicContact CD1-CB 3.66Å; L33-L44 HydrophobicContact CD2-CB 4.22Å; L33-L44 HydrophobicContact CG-CB 3.88Å; L44-M46 HydrophobicContact CD1-CG 4Å; L44-M46 HydrophobicContact CD2-CG 3.84Å; L44-M46 HydrophobicContact CD2-SD 4.04Å; L44-M46 HydrophobicContact CG-CG 3.82Å; L44-V94 WeakPolarHBondContact CA-O 3.33Å; L44-I95 HydrophobicContact CB-CG1 4.43Å; L44-I95 HydrophobicContact CD1-CG1 4.01Å
45K90.7Very high85.7Confident13 Ų1357.7 Ų57.76%0.05727%0.27CS..EExtended strand (participates in β ladder)trans-108.1114.2168.7-179.679.6170.1-116.20108.3S30 I47 S93 V94 D162S30-K45 WeakPolarHBondContact OG-CD 3.27Å; K45-I47 HydrophobicContact CG-CD1 4.36Å; K45-I47 HydrophobicContact CG-CG1 4.11Å; K45-S93 WeakPolarHBondContact O-CA 3.46Å; K45-V94 HydrophobicContact CB-CG2 3.72Å; K45-V94 HydrophobicContact CG-CG2 4.38Å; K45-V94 PolarHBondContact N-O 2.96Å; K45-V94 PolarHBondContact O-N 3.44Å; K45-D162 IonicContact NZ-OD2 3.66Å; K45-D162 PolarHBondContact NZ-OD2 3.39Å
46M88.3Confident85.5Confident3 Ų361.1 Ų61.12%0.01528%0.284CS..EExtended strand (participates in β ladder)trans-97.2114.2176.7-63.7-175.464.800110.2M9 G28 T29 Y31 L44 Y91M9-M46 HydrophobicContact CE-CE 4.41Å; M9-M46 HydrophobicContact CG-CE 3.59Å; M9-M46 HydrophobicContact CG-SD 4.24Å; M9-M46 HydrophobicContact SD-CE 3.86Å; G28-M46 CarbonylContact C-O 3.56Å; G28-M46 WeakPolarHBondContact CA-O 3.49Å; T29-M46 PolarHBondContact N-O 3.11Å; T29-M46 PolarHBondContact O-N 3.47Å; Y31-M46 HydrophobicContact CD2-CG 4.38Å; Y31-M46 HydrophobicContact CD2-SD 4.19Å; Y31-M46 HydrophobicContact CE2-CG 4.22Å; Y31-M46 HydrophobicContact CE2-SD 3.69Å; L44-M46 HydrophobicContact CD1-CG 4Å; L44-M46 HydrophobicContact CD2-CG 3.84Å; L44-M46 HydrophobicContact CD2-SD 4.04Å; L44-M46 HydrophobicContact CG-CG 3.82Å; M46-Y91 HydrophobicContact CB-CD1 4.38Å; M46-Y91 HydrophobicContact CE-CD1 4.11Å; M46-Y91 HydrophobicContact CE-CG 4.27Å
47I85.8Confident85Confident1 Ų158.9 Ų58.91%0.00528%0.282CS..EExtended strand (participates in β ladder)trans-105.1116.6-177.9-62.5160.9000109Q27 K45 L58 F62 Y91 V92Q27-I47 WeakPolarHBondContact O-CA 3.31Å; Q27-I47 WeakPolarHBondContact O-CG1 3.45Å; Q27-I47 VanDerWaalsContact O-CG2 3.3Å; Q27-I47 WeakPolarHBondContact O-CG2 3.42Å; K45-I47 HydrophobicContact CG-CD1 4.36Å; K45-I47 HydrophobicContact CG-CG1 4.11Å; I47-L58 HydrophobicContact CB-CD2 4.28Å; I47-L58 HydrophobicContact CD1-CD2 4.4Å; I47-L58 HydrophobicContact CG2-CD2 3.63Å; I47-F62 HydrophobicContact CD1-CE2 3.65Å; I47-F62 HydrophobicContact CD1-CZ 3.4Å; I47-F62 VanDerWaalsContact CD1-CZ 3.4Å; I47-Y91 CarbonylContact O-C 3.49Å; I47-Y91 VanDerWaalsContact O-CA 3.23Å; I47-Y91 WeakPolarHBondContact O-CA 3.43Å; I47-V92 WeakPolarHBondContact CA-O 3.42Å; I47-V92 WeakPolarHBondContact CB-O 3.47Å; I47-V92 PolarHBondContact N-O 3.48Å; I47-V92 PolarHBondContact O-N 3.37Å
48E82.5Confident84.9Confident67 Ų6753.5 Ų53.531%0.31325%0.254SS..EExtended strand (participates in β ladder)trans-77.4127.4176.7-172.8179.1-16800109.9Y91 R173E48-Y91 HydrophobicContact CB-CD1 4.1Å; E48-Y91 HydrophobicContact CB-CE1 3.71Å; E48-Y91 HydrophobicContact CG-CE1 4.01Å; E48-R173 IonicContact OE2-CZ 3.22Å; E48-R173 IonicContact OE2-NE 2.76Å; E48-R173 IonicContact OE2-NH2 2.66Å; E48-R173 PolarHBondContact OE2-NH2 3.3Å
49C79.9Confident85.2Confident9 Ų953.2 Ų53.26%0.06125%0.25CC..EExtended strand (participates in β ladder)trans-104.9144.3-175.8-65.30000110.9S51 H54 I90C49-S51 VanDerWaalsContact C-N 3.33Å; C49-S51 PolarHBondContact O-N 3.37Å; C49-H54 WeakPolarHBondContact CB-ND1 3.32Å; C49-I90 HydrophobicContact CB-CB 4Å; C49-I90 HydrophobicContact CB-CG2 3.93Å; C49-I90 PolarHBondContact N-O 2.66Å
50R74.9Confident85.2Confident161 Ų16153.9 Ų53.961%0.60825%0.25SS*.SBendtrans-66.9-31179.268-177.3-175.7164.72.8114.3H54R50-H54 HydrophobicContact CG-CB 3.65Å; R50-H54 PolarHBondContact N-ND1 2.73Å
51S78.3Confident84.9Confident41 Ų4151.2 Ų51.229%0.28724%0.238SC..SBendtrans-154.2168.6-176.567.60000109.9C49 H54 G55C49-S51 VanDerWaalsContact C-N 3.33Å; C49-S51 PolarHBondContact O-N 3.37Å; S51-H54 PolarHBondContact O-N 3Å; S51-H54 PolarHBondContact OG-N 3.26Å; S51-G55 PolarHBondContact O-N 2.86Å; S51-G55 VanDerWaalsContact O-N 3.09Å
52L83Confident84.5Confident84 Ų8446.3 Ų46.344%0.4422%0.219SC..Hα-helixtrans-61.3-46.3173.9-17862.5000111.2H54 G55 Y56 M81 I90L52-H54 VanDerWaalsContact C-N 3.33Å; L52-H54 PolarHBondContact O-N 2.96Å; L52-G55 WeakPolarHBondContact O-CA 3.44Å; L52-G55 PolarHBondContact O-N 3.27Å; L52-Y56 HydrophobicContact CD1-CD2 4.18Å; L52-Y56 HydrophobicContact CD1-CE2 3.65Å; L52-Y56 HydrophobicContact CD2-CE2 3.96Å; L52-Y56 HydrophobicContact CG-CD2 3.91Å; L52-Y56 HydrophobicContact CG-CE2 3.51Å; L52-Y56 WeakPolarHBondContact O-CD2 3.48Å; L52-Y56 PolarHBondContact O-N 3.45Å; L52-M81 HydrophobicContact CD1-CE 3.69Å; L52-I90 HydrophobicContact CB-CG1 4.49Å; L52-I90 HydrophobicContact CD1-CD1 4.09Å
53D82.3Confident84Confident117 Ų11748.2 Ų48.263%0.62623%0.228SC*.Hα-helixtrans-60-42.2178.8-56.5-35.2000112.3G55 Y56 L57D53-G55 VanDerWaalsContact C-N 3.3Å; D53-G55 PolarHBondContact O-N 2.96Å; D53-Y56 PolarHBondContact O-N 2.97Å; D53-L57 WeakPolarHBondContact O-CG 3.31Å; D53-L57 PolarHBondContact O-N 3.15Å
54H77.3Confident83.4Confident6 Ų652.5 Ų52.53%0.02825%0.248CC..Hα-helixtrans-62.1-40.9174.5171.9-119.5000111.7C49 R50 S51 L52 Y56 L57 L58 Y171C49-H54 WeakPolarHBondContact CB-ND1 3.32Å; R50-H54 HydrophobicContact CG-CB 3.65Å; R50-H54 PolarHBondContact N-ND1 2.73Å; S51-H54 PolarHBondContact O-N 3Å; S51-H54 PolarHBondContact OG-N 3.26Å; L52-H54 VanDerWaalsContact C-N 3.33Å; L52-H54 PolarHBondContact O-N 2.96Å; H54-Y56 VanDerWaalsContact C-N 3.32Å; H54-Y56 PolarHBondContact O-N 3.24Å; H54-L57 PolarHBondContact O-N 2.97Å; H54-L58 WeakPolarHBondContact O-CB 3.48Å; H54-L58 PolarHBondContact O-N 3.44Å; H54-Y171 AromaticContact CD2-CG 3.93Å; H54-Y171 WeakPolarHBondContact NE2-CB 3.48Å; H54-Y171 AromaticContact NE2-CG 3.94Å
55G83.6Confident82.8Confident0 Ų053.3 Ų53.30%025%0.252CS..Hα-helixtrans-63.9-36.8176.200000112.7S51 L52 D53 F59 M81 V92S51-G55 PolarHBondContact O-N 2.86Å; S51-G55 VanDerWaalsContact O-N 3.09Å; L52-G55 WeakPolarHBondContact O-CA 3.44Å; L52-G55 PolarHBondContact O-N 3.27Å; D53-G55 VanDerWaalsContact C-N 3.3Å; D53-G55 PolarHBondContact O-N 2.96Å; G55-F59 VanDerWaalsContact O-CB 3.28Å; G55-F59 WeakPolarHBondContact O-CB 3.36Å; G55-F59 PolarHBondContact O-N 3.26Å; G55-M81 VanDerWaalsContact CA-CE 3.45Å; G55-V92 VanDerWaalsContact O-CG2 3.27Å; G55-V92 WeakPolarHBondContact O-CG2 3.31Å
56Y85.7Confident82.6Confident133 Ų13354.6 Ų54.652%0.52226%0.258SS..Hα-helixtrans-65.5-45.4173.7-80-61.5000112.3L52 D53 H54 L58 F59 E60 M81L52-Y56 HydrophobicContact CD1-CD2 4.18Å; L52-Y56 HydrophobicContact CD1-CE2 3.65Å; L52-Y56 HydrophobicContact CD2-CE2 3.96Å; L52-Y56 HydrophobicContact CG-CD2 3.91Å; L52-Y56 HydrophobicContact CG-CE2 3.51Å; L52-Y56 WeakPolarHBondContact O-CD2 3.48Å; L52-Y56 PolarHBondContact O-N 3.45Å; D53-Y56 PolarHBondContact O-N 2.97Å; H54-Y56 VanDerWaalsContact C-N 3.32Å; H54-Y56 PolarHBondContact O-N 3.24Å; Y56-L58 VanDerWaalsContact C-N 3.32Å; Y56-L58 PolarHBondContact O-N 2.9Å; Y56-F59 WeakPolarHBondContact O-CB 3.13Å; Y56-F59 PolarHBondContact O-N 2.92Å; Y56-E60 PolarHBondContact O-N 3.07Å; Y56-M81 HydrophobicContact CD1-SD 3.94Å; Y56-M81 HydrophobicContact CD2-CE 4.48Å; Y56-M81 HydrophobicContact CE1-SD 3.93Å; Y56-M81 HydrophobicContact CG-CE 4.36Å; Y56-M81 HydrophobicContact CG-SD 4.37Å
57L80.2Confident82.3Confident103 Ų10361.5 Ų61.554%0.53929%0.288SS..Hα-helixtrans-59-45.2176.7-69.5171.8000111.6D53 H54 F59 E60 E61D53-L57 WeakPolarHBondContact O-CG 3.31Å; D53-L57 PolarHBondContact O-N 3.15Å; H54-L57 PolarHBondContact O-N 2.97Å; L57-F59 VanDerWaalsContact C-N 3.35Å; L57-E60 PolarHBondContact O-N 3.37Å; L57-E61 PolarHBondContact O-N 3.23Å
58L81.1Confident82.1Confident2 Ų262.4 Ų62.41%0.0129%0.292CS..Hα-helixtrans-65.9-38.5177176.750.5000112.2I47 H54 Y56 E61 F62 V92 L168I47-L58 HydrophobicContact CB-CD2 4.28Å; I47-L58 HydrophobicContact CD1-CD2 4.4Å; I47-L58 HydrophobicContact CG2-CD2 3.63Å; H54-L58 WeakPolarHBondContact O-CB 3.48Å; H54-L58 PolarHBondContact O-N 3.44Å; Y56-L58 VanDerWaalsContact C-N 3.32Å; Y56-L58 PolarHBondContact O-N 2.9Å; L58-E61 PolarHBondContact O-N 2.88Å; L58-F62 HydrophobicContact CD1-CD2 3.6Å; L58-F62 HydrophobicContact CD1-CE1 4.39Å; L58-F62 HydrophobicContact CD1-CE2 3.21Å; L58-F62 HydrophobicContact CD1-CG 4.36Å; L58-F62 HydrophobicContact CD1-CZ 3.65Å; L58-F62 HydrophobicContact CD2-CE2 3.93Å; L58-F62 HydrophobicContact CG-CD2 3.8Å; L58-F62 HydrophobicContact CG-CE2 3.47Å; L58-F62 VanDerWaalsContact CG-CE2 3.47Å; L58-F62 HydrophobicContact CG-CZ 4.34Å; L58-F62 VanDerWaalsContact O-CD2 3.28Å; L58-F62 WeakPolarHBondContact O-CD2 3.45Å; L58-F62 PolarHBondContact O-N 3.01Å; L58-V92 HydrophobicContact CB-CG2 4.28Å; L58-V92 HydrophobicContact CD2-CB 3.89Å; L58-V92 HydrophobicContact CD2-CG1 4.35Å; L58-V92 HydrophobicContact CD2-CG2 4.12Å; L58-V92 HydrophobicContact CG-CB 4.14Å; L58-V92 HydrophobicContact CG-CG1 4.12Å; L58-V92 HydrophobicContact CG-CG2 4.19Å; L58-L168 HydrophobicContact CD1-CD1 3.2Å; L58-L168 HydrophobicContact CD1-CD2 3.67Å; L58-L168 HydrophobicContact CD1-CG 3.96Å; L58-L168 HydrophobicContact CD2-CD1 3.58Å; L58-L168 HydrophobicContact CG-CD1 3.94Å
59F87.5Confident82Confident51 Ų5164.4 Ų64.422%0.22430%0.304CS..Hα-helixtrans-59.8-47.1174.9-173-87.3000111.2G55 Y56 L57 E61 F62 I63 I79 M81G55-F59 VanDerWaalsContact O-CB 3.28Å; G55-F59 WeakPolarHBondContact O-CB 3.36Å; G55-F59 PolarHBondContact O-N 3.26Å; Y56-F59 WeakPolarHBondContact O-CB 3.13Å; Y56-F59 PolarHBondContact O-N 2.92Å; L57-F59 VanDerWaalsContact C-N 3.35Å; F59-E61 PolarHBondContact O-N 2.75Å; F59-F62 PolarHBondContact O-N 2.79Å; F59-I63 HydrophobicContact CD1-CG1 3.93Å; F59-I63 HydrophobicContact CE1-CD1 3.92Å; F59-I63 HydrophobicContact CE1-CG1 3.67Å; F59-I63 HydrophobicContact CZ-CD1 4.19Å; F59-I63 HydrophobicContact CZ-CG1 4.34Å; F59-I63 VanDerWaalsContact O-CG1 3.3Å; F59-I63 WeakPolarHBondContact O-CG1 3.47Å; F59-I63 PolarHBondContact O-N 3.04Å; F59-I79 HydrophobicContact CD2-CB 4.46Å; F59-I79 HydrophobicContact CD2-CG2 3.48Å; F59-I79 VanDerWaalsContact CD2-CG2 3.48Å; F59-I79 HydrophobicContact CE2-CB 4Å; F59-I79 HydrophobicContact CE2-CG2 3.5Å; F59-I79 VanDerWaalsContact CE2-CG2 3.5Å; F59-I79 HydrophobicContact CG-CG2 4.31Å; F59-I79 HydrophobicContact CZ-CG2 4.33Å; F59-M81 HydrophobicContact CD2-CB 4.14Å
60E83.6Confident82.1Confident120 Ų12064.7 Ų64.756%0.56130%0.304SS*.Hα-helixtrans-61.7-41176.1-73-62.212900112.6Y56 L57 F62 I63 H64Y56-E60 PolarHBondContact O-N 3.07Å; L57-E60 PolarHBondContact O-N 3.37Å; E60-F62 VanDerWaalsContact C-N 3.35Å; E60-F62 PolarHBondContact O-N 3.11Å; E60-I63 PolarHBondContact O-N 3.44Å; E60-H64 PolarHBondContact O-N 3.1Å
61E80.5Confident82.3Confident48 Ų4858.4 Ų58.422%0.22428%0.284CS..Hα-helixtrans-61-43.8174.4-171.4179.4165.200111.1L57 L58 F59 I63 H64 I65 G165L57-E61 PolarHBondContact O-N 3.23Å; L58-E61 PolarHBondContact O-N 2.88Å; F59-E61 PolarHBondContact O-N 2.75Å; E61-I63 VanDerWaalsContact C-N 3.34Å; E61-I63 PolarHBondContact O-N 3Å; E61-H64 WeakPolarHBondContact O-CB 3.2Å; E61-H64 PolarHBondContact O-N 2.95Å; E61-H64 VanDerWaalsContact O-N 3.15Å; E61-I65 HydrophobicContact CG-CD1 3.95Å; E61-I65 WeakPolarHBondContact O-CG1 3.37Å; E61-I65 PolarHBondContact O-N 2.95Å; E61-G165 PolarHBondContact OE1-N 2.77Å
62F86Confident82.8Confident0 Ų056.6 Ų56.60%027%0.271CS..Hα-helixtrans-66.2-35175.6-76.4-49.2000113.1I47 L58 F59 E60 H64 I65 Q66 I76 I79 V92 V94 W164 L168I47-F62 HydrophobicContact CD1-CE2 3.65Å; I47-F62 HydrophobicContact CD1-CZ 3.4Å; I47-F62 VanDerWaalsContact CD1-CZ 3.4Å; L58-F62 HydrophobicContact CD1-CD2 3.6Å; L58-F62 HydrophobicContact CD1-CE1 4.39Å; L58-F62 HydrophobicContact CD1-CE2 3.21Å; L58-F62 HydrophobicContact CD1-CG 4.36Å; L58-F62 HydrophobicContact CD1-CZ 3.65Å; L58-F62 HydrophobicContact CD2-CE2 3.93Å; L58-F62 HydrophobicContact CG-CD2 3.8Å; L58-F62 HydrophobicContact CG-CE2 3.47Å; L58-F62 VanDerWaalsContact CG-CE2 3.47Å; L58-F62 HydrophobicContact CG-CZ 4.34Å; L58-F62 VanDerWaalsContact O-CD2 3.28Å; L58-F62 WeakPolarHBondContact O-CD2 3.45Å; L58-F62 PolarHBondContact O-N 3.01Å; F59-F62 PolarHBondContact O-N 2.79Å; E60-F62 VanDerWaalsContact C-N 3.35Å; E60-F62 PolarHBondContact O-N 3.11Å; F62-H64 PolarHBondContact O-N 3.32Å; F62-I65 HydrophobicContact CD1-CD1 4.49Å; F62-I65 PolarHBondContact O-N 3.16Å; F62-Q66 WeakPolarHBondContact O-CB 3.13Å; F62-Q66 PolarHBondContact O-N 3.17Å; F62-I76 HydrophobicContact CD1-CD1 3.72Å; F62-I76 HydrophobicContact CE1-CD1 4.41Å; F62-I76 HydrophobicContact CG-CD1 4.47Å; F62-I79 VanDerWaalsContact C-CD1 3.4Å; F62-I79 HydrophobicContact CB-CD1 3.61Å; F62-I79 HydrophobicContact CB-CG1 4.02Å; F62-I79 HydrophobicContact CB-CG2 3.99Å; F62-I79 HydrophobicContact CD2-CG2 4.42Å; F62-I79 WeakPolarHBondContact O-CD1 3.27Å; F62-V92 HydrophobicContact CD2-CG1 3.57Å; F62-V92 HydrophobicContact CE2-CG1 3.74Å; F62-V94 HydrophobicContact CB-CG1 4.41Å; F62-V94 HydrophobicContact CD1-CG1 3.91Å; F62-V94 HydrophobicContact CD2-CG1 3.61Å; F62-V94 HydrophobicContact CE1-CG1 4.02Å; F62-V94 HydrophobicContact CE2-CG1 3.68Å; F62-V94 HydrophobicContact CG-CG1 3.73Å; F62-V94 HydrophobicContact CZ-CG1 3.91Å; F62-W164 HydrophobicContact CD1-CE3 4.38Å; F62-W164 HydrophobicContact CE1-CD2 4.02Å; F62-W164 AromaticContact CE1-CE3 3.54Å; F62-W164 HydrophobicContact CE1-CE3 3.54Å; F62-W164 HydrophobicContact CE1-CH2 4.4Å; F62-W164 AromaticContact CE1-CZ3 3.77Å; F62-W164 HydrophobicContact CE1-CZ3 3.77Å; F62-W164 HydrophobicContact CZ-CE3 4.43Å; F62-L168 HydrophobicContact CE1-CD2 4.18Å; F62-L168 HydrophobicContact CZ-CD2 3.77Å
63I85Confident83Confident46 Ų4653.3 Ų53.324%0.23626%0.255CS..Hα-helixtrans-62.9-36.4173.6-69.3-73.8000110.4F59 E60 E61 I79F59-I63 HydrophobicContact CD1-CG1 3.93Å; F59-I63 HydrophobicContact CE1-CD1 3.92Å; F59-I63 HydrophobicContact CE1-CG1 3.67Å; F59-I63 HydrophobicContact CZ-CD1 4.19Å; F59-I63 HydrophobicContact CZ-CG1 4.34Å; F59-I63 VanDerWaalsContact O-CG1 3.3Å; F59-I63 WeakPolarHBondContact O-CG1 3.47Å; F59-I63 PolarHBondContact O-N 3.04Å; E60-I63 PolarHBondContact O-N 3.44Å; E61-I63 VanDerWaalsContact C-N 3.34Å; E61-I63 PolarHBondContact O-N 3Å; I63-I79 HydrophobicContact CD1-CD1 3.71Å; I63-I79 HydrophobicContact CG1-CD1 4.02Å
64H81.2Confident83.3Confident97 Ų9748.6 Ų48.645%0.44923%0.231SC..Hα-helixtrans-66.7-51.5172.7-168.885.2000111.5E60 E61 F62 Q66 K67E60-H64 PolarHBondContact O-N 3.1Å; E61-H64 WeakPolarHBondContact O-CB 3.2Å; E61-H64 PolarHBondContact O-N 2.95Å; E61-H64 VanDerWaalsContact O-N 3.15Å; F62-H64 PolarHBondContact O-N 3.32Å; H64-Q66 VanDerWaalsContact C-N 3.28Å; H64-Q66 PolarHBondContact O-N 3.16Å; H64-K67 WeakPolarHBondContact O-CB 3.38Å; H64-K67 PolarHBondContact O-N 3.37Å; H64-K67 VanDerWaalsContact O-N 3.11Å
65I82.6Confident83.7Confident17 Ų1754.8 Ų54.89%0.08725%0.254CS..Hα-helixtrans-63.5-31.6179.3-66.1168.6000111.8E61 F62 K67 F68 I76 W164E61-I65 HydrophobicContact CG-CD1 3.95Å; E61-I65 WeakPolarHBondContact O-CG1 3.37Å; E61-I65 PolarHBondContact O-N 2.95Å; F62-I65 HydrophobicContact CD1-CD1 4.49Å; F62-I65 PolarHBondContact O-N 3.16Å; I65-K67 PolarHBondContact O-N 3.23Å; I65-K67 VanDerWaalsContact O-N 3.16Å; I65-F68 WeakPolarHBondContact O-CA 3.35Å; I65-F68 WeakPolarHBondContact O-CB 3.05Å; I65-F68 PolarHBondContact O-N 3.19Å; I65-I76 HydrophobicContact CB-CD1 4.46Å; I65-I76 HydrophobicContact CG2-CD1 3.97Å; I65-W164 HydrophobicContact CD1-CB 3.97Å
66Q85.1Confident84Confident40 Ų4055.1 Ų55.119%0.18726%0.256CS..Hα-helixtrans-60.9-25.4176.7172.4172.961.300112.9F62 H64 F68 R75 I76 L77 I79F62-Q66 WeakPolarHBondContact O-CB 3.13Å; F62-Q66 PolarHBondContact O-N 3.17Å; H64-Q66 VanDerWaalsContact C-N 3.28Å; H64-Q66 PolarHBondContact O-N 3.16Å; Q66-F68 VanDerWaalsContact C-N 3.32Å; Q66-R75 PolarHBondContact O-NE 3.05Å; Q66-I76 HydrophobicContact CB-CB 4.18Å; Q66-I76 HydrophobicContact CG-CB 4.4Å; Q66-I76 WeakPolarHBondContact CG-O 3.44Å; Q66-I76 PolarHBondContact NE2-O 3.18Å; Q66-L77 PolarHBondContact NE2-O 2.66Å; Q66-I79 HydrophobicContact CB-CD1 4Å
67K82.3Confident84.1Confident149 Ų14952.3 Ų52.365%0.64825%0.249SC*.THydrogen-bonded Turntrans-79.1-17.2174.7-60.7170.3-173.3172.20112.3H64 I65 I69H64-K67 WeakPolarHBondContact O-CB 3.38Å; H64-K67 PolarHBondContact O-N 3.37Å; H64-K67 VanDerWaalsContact O-N 3.11Å; I65-K67 PolarHBondContact O-N 3.23Å; I65-K67 VanDerWaalsContact O-N 3.16Å; K67-I69 PolarHBondContact O-N 3.23Å
68F81.6Confident84.7Confident19 Ų1949.8 Ų49.88%0.08323%0.234CC..  trans-70.6114.1174.9-176.6-105.2000109.8I65 Q66 H70 V73 L136 A139 I163I65-F68 WeakPolarHBondContact O-CA 3.35Å; I65-F68 WeakPolarHBondContact O-CB 3.05Å; I65-F68 PolarHBondContact O-N 3.19Å; Q66-F68 VanDerWaalsContact C-N 3.32Å; F68-H70 HydrophobicContact CD1-CB 4.15Å; F68-H70 HydrophobicContact CE1-CB 3.37Å; F68-H70 HydrophobicContact CZ-CB 3.64Å; F68-V73 HydrophobicContact CE1-CB 4.39Å; F68-V73 HydrophobicContact CE1-CG2 4.12Å; F68-L136 HydrophobicContact CD1-CD2 3.83Å; F68-L136 HydrophobicContact CD2-CD2 3.89Å; F68-L136 HydrophobicContact CE1-CD2 3.57Å; F68-L136 HydrophobicContact CE1-CG 4Å; F68-L136 HydrophobicContact CE2-CD2 3.66Å; F68-L136 HydrophobicContact CE2-CG 4.04Å; F68-L136 HydrophobicContact CG-CD2 3.96Å; F68-L136 HydrophobicContact CZ-CD2 3.48Å; F68-L136 VanDerWaalsContact CZ-CD2 3.48Å; F68-L136 HydrophobicContact CZ-CG 3.61Å; F68-A139 HydrophobicContact CD2-CB 3.81Å; F68-A139 HydrophobicContact CE2-CB 4.07Å; F68-I163 HydrophobicContact CD1-CD1 3.65Å; F68-I163 HydrophobicContact CE1-CD1 3.77Å
69I80.3Confident85.2Confident110 Ų11050.4 Ų50.456%0.56424%0.238SC*.  trans-110.1114.9178.6-60.8172.9000107.7K67K67-I69 PolarHBondContact O-N 3.23Å
70H82.8Confident85.5Confident14 Ų1450.3 Ų50.37%0.06524%0.238CC..BIsolated β-bridgetrans-142.8137.4175.2-171-88.5000110.8F68 Y72 V73 V132 S135F68-H70 HydrophobicContact CD1-CB 4.15Å; F68-H70 HydrophobicContact CE1-CB 3.37Å; F68-H70 HydrophobicContact CZ-CB 3.64Å; H70-Y72 VanDerWaalsContact C-N 3.28Å; H70-Y72 AromaticContact CE1-CD2 3.58Å; H70-Y72 AromaticContact CE1-CG 3.98Å; H70-Y72 PolarHBondContact ND1-N 3.15Å; H70-Y72 PolarHBondContact O-N 3.14Å; H70-V73 HydrophobicContact CB-CB 4.19Å; H70-V73 HydrophobicContact CB-CG2 4.19Å; H70-V73 PolarHBondContact O-N 3.47Å; H70-V132 VanDerWaalsContact CE1-CG2 3.48Å; H70-V132 WeakPolarHBondContact CE1-CG2 3.45Å; H70-S135 PolarHBondContact CD2-OG 3.31Å; H70-S135 VanDerWaalsContact CD2-OG 3.31Å; H70-S135 PolarHBondContact NE2-OG 3.25Å
71P79.3Confident85.8Confident30 Ų3047.1 Ų47.120%0.19522%0.223CC..THydrogen-bonded Turntrans-56.2-34.5-177.1-38.945.7000117.4V73 P316 M320P71-V73 VanDerWaalsContact C-N 3.33Å; P71-P316 HydrophobicContact CB-CB 3.59Å; P71-P316 HydrophobicContact CG-CB 3.36Å; P71-M320 HydrophobicContact CB-CG 3.26Å; P71-M320 HydrophobicContact CB-SD 3.77Å; P71-M320 HydrophobicContact CG-CG 3.48Å; P71-M320 VanDerWaalsContact CG-CG 3.48Å; P71-M320 HydrophobicContact CG-SD 4.45Å
72Y87.8Confident86.3Confident2 Ų245.5 Ų45.51%0.00822%0.217CC..THydrogen-bonded Turntrans-89.4-1.2-179.9-58.4-35.7000112.8H70 V132 F158 F159 M160 T314 P316 I319H70-Y72 VanDerWaalsContact C-N 3.28Å; H70-Y72 AromaticContact CE1-CD2 3.58Å; H70-Y72 AromaticContact CE1-CG 3.98Å; H70-Y72 PolarHBondContact ND1-N 3.15Å; H70-Y72 PolarHBondContact O-N 3.14Å; Y72-V132 HydrophobicContact CD2-CG2 4.23Å; Y72-F158 AromaticContact CD1-CD1 3.98Å; Y72-F158 HydrophobicContact CD1-CD1 3.98Å; Y72-F158 WeakPolarHBondContact CD1-O 3.17Å; Y72-F158 AromaticContact CD2-CD1 3.9Å; Y72-F158 HydrophobicContact CD2-CD1 3.9Å; Y72-F158 HydrophobicContact CD2-CE1 4.2Å; Y72-F158 AromaticContact CG-CD1 3.59Å; Y72-F158 HydrophobicContact CG-CD1 3.59Å; Y72-F158 HydrophobicContact CG-CE1 4.12Å; Y72-F159 CarbonylContact O-C 3.55Å; Y72-F159 WeakPolarHBondContact O-CA 3.22Å; Y72-M160 PolarHBondContact O-N 3.28Å; Y72-T314 PolarHBondContact OH-O 3.37Å; Y72-P316 HydrophobicContact CD2-CB 4.45Å; Y72-P316 HydrophobicContact CD2-CG 4.11Å; Y72-P316 HydrophobicContact CE2-CB 4Å; Y72-P316 HydrophobicContact CE2-CG 3.61Å; Y72-P316 WeakPolarHBondContact OH-CA 3.32Å; Y72-I319 HydrophobicContact CE1-CB 4.17Å; Y72-I319 HydrophobicContact CE1-CD1 4.03Å; Y72-I319 HydrophobicContact CE1-CG1 4.45Å; Y72-I319 HydrophobicContact CE1-CG2 4.2Å; Y72-I319 WeakPolarHBondContact OH-CD1 3.4Å; Y72-I319 VanDerWaalsContact OH-CG1 3.26Å; Y72-I319 WeakPolarHBondContact OH-CG1 3.27Å
73V87.6Confident86.4Confident16 Ų1650.5 Ų50.510%0.09724%0.242CC..BIsolated β-bridgetrans-116.9114-179.8179.90000108.6F68 H70 P71 R75 V132 I163F68-V73 HydrophobicContact CE1-CB 4.39Å; F68-V73 HydrophobicContact CE1-CG2 4.12Å; H70-V73 HydrophobicContact CB-CB 4.19Å; H70-V73 HydrophobicContact CB-CG2 4.19Å; H70-V73 PolarHBondContact O-N 3.47Å; P71-V73 VanDerWaalsContact C-N 3.33Å; V73-R75 PolarHBondContact O-N 2.92Å; V73-R75 VanDerWaalsContact O-N 3.14Å; V73-V132 HydrophobicContact CG2-CG1 3.92Å; V73-V132 HydrophobicContact CG2-CG2 4.15Å; V73-I163 HydrophobicContact CB-CD1 4.35Å; V73-I163 HydrophobicContact CG1-CD1 3.56Å; V73-I163 HydrophobicContact CG1-CG1 3.61Å; V73-I163 HydrophobicContact CG2-CD1 4.06Å; V73-I163 HydrophobicContact CG2-CG1 4.35Å; V73-I163 HydrophobicContact CG2-CG2 4.31Å
74P88.2Confident86.3Confident18 Ų1848.5 Ų48.512%0.11723%0.232CC..  trans-58.8122.3173.5-18.629.2000109.9R96 I99 F159 M160 T161P74-R96 HydrophobicContact CB-CB 4.39Å; P74-I99 HydrophobicContact CG-CD1 3.56Å; P74-I99 HydrophobicContact CG-CG1 3.73Å; P74-F159 HydrophobicContact CG-CD1 4.32Å; P74-M160 VanDerWaalsContact CD-O 3.25Å; P74-M160 WeakPolarHBondContact CD-O 3.33Å; P74-T161 HydrophobicContact CG-CG2 4.25Å
75R86.6Confident86.5Confident135 Ų13548.4 Ų48.451%0.50924%0.24SC..  trans-61.4139.5179-173.5178.4176.7-165.5-5.1110.3Q66 V73 L77 R96Q66-R75 PolarHBondContact O-NE 3.05Å; V73-R75 PolarHBondContact O-N 2.92Å; V73-R75 VanDerWaalsContact O-N 3.14Å; R75-L77 PolarHBondContact O-N 3.08Å; R75-R96 WeakPolarHBondContact O-CB 3.3Å
76I89Confident86.4Confident8 Ų853.4 Ų53.44%0.04126%0.261CS..EExtended strand (participates in β ladder)trans-67.9115.7166.8-60.7175.5000107.9F62 I65 Q66 E78 I79 V94 W164F62-I76 HydrophobicContact CD1-CD1 3.72Å; F62-I76 HydrophobicContact CE1-CD1 4.41Å; F62-I76 HydrophobicContact CG-CD1 4.47Å; I65-I76 HydrophobicContact CB-CD1 4.46Å; I65-I76 HydrophobicContact CG2-CD1 3.97Å; Q66-I76 HydrophobicContact CB-CB 4.18Å; Q66-I76 HydrophobicContact CG-CB 4.4Å; Q66-I76 WeakPolarHBondContact CG-O 3.44Å; Q66-I76 PolarHBondContact NE2-O 3.18Å; I76-E78 WeakPolarHBondContact CG2-O 3.15Å; I76-I79 HydrophobicContact CG2-CD1 4.08Å; I76-I79 HydrophobicContact CG2-CG1 3.46Å; I76-I79 VanDerWaalsContact CG2-CG1 3.46Å; I76-V94 HydrophobicContact CG2-CB 4.28Å; I76-V94 HydrophobicContact CG2-CG1 4.44Å; I76-W164 HydrophobicContact CD1-CZ3 4.48Å
77L88.7Confident86.4Confident73 Ų7355.9 Ų55.938%0.38228%0.276SS..EExtended strand (participates in β ladder)trans-85.1-42.5-178.8-59.8177.1000110.6F42 Q66 R75 I95F42-L77 HydrophobicContact CD1-CD1 3.63Å; F42-L77 HydrophobicContact CE1-CD1 3.38Å; Q66-L77 PolarHBondContact NE2-O 2.66Å; R75-L77 PolarHBondContact O-N 3.08Å; L77-I95 PolarHBondContact N-O 3.34Å
78E91.9Very high86.4Confident50 Ų5052.9 Ų52.923%0.23427%0.273CS..EExtended strand (participates in β ladder)trans-139.2145.7-178.2-51.6175.3-145.200110.6Y16 I76 H80 V94 I95Y16-E78 PolarHBondContact OH-OE1 2.89Å; I76-E78 WeakPolarHBondContact CG2-O 3.15Å; E78-H80 WeakPolarHBondContact CB-NE2 3.37Å; E78-H80 IonicContact OE2-CD2 2.74Å; E78-H80 IonicContact OE2-CE1 3.82Å; E78-H80 IonicContact OE2-NE2 3.81Å; E78-H80 PolarHBondContact OE2-NE2 3.42Å; E78-V94 WeakPolarHBondContact O-CA 3.36Å; E78-I95 HydrophobicContact CB-CB 4.13Å; E78-I95 HydrophobicContact CB-CD1 4.43Å; E78-I95 PolarHBondContact N-O 3.14Å; E78-I95 PolarHBondContact O-N 2.98Å
79I92.1Very high86.5Confident16 Ų1652.6 Ų52.68%0.08227%0.274CS..EExtended strand (participates in β ladder)trans-130.7129.4174.7-53157.7000106.1F59 F62 I63 Q66 I76 V92 S93 V94F59-I79 HydrophobicContact CD2-CB 4.46Å; F59-I79 HydrophobicContact CD2-CG2 3.48Å; F59-I79 VanDerWaalsContact CD2-CG2 3.48Å; F59-I79 HydrophobicContact CE2-CB 4Å; F59-I79 HydrophobicContact CE2-CG2 3.5Å; F59-I79 VanDerWaalsContact CE2-CG2 3.5Å; F59-I79 HydrophobicContact CG-CG2 4.31Å; F59-I79 HydrophobicContact CZ-CG2 4.33Å; F62-I79 VanDerWaalsContact C-CD1 3.4Å; F62-I79 HydrophobicContact CB-CD1 3.61Å; F62-I79 HydrophobicContact CB-CG1 4.02Å; F62-I79 HydrophobicContact CB-CG2 3.99Å; F62-I79 HydrophobicContact CD2-CG2 4.42Å; F62-I79 WeakPolarHBondContact O-CD1 3.27Å; I63-I79 HydrophobicContact CD1-CD1 3.71Å; I63-I79 HydrophobicContact CG1-CD1 4.02Å; Q66-I79 HydrophobicContact CB-CD1 4Å; I76-I79 HydrophobicContact CG2-CD1 4.08Å; I76-I79 HydrophobicContact CG2-CG1 3.46Å; I76-I79 VanDerWaalsContact CG2-CG1 3.46Å; I79-V92 HydrophobicContact CG2-CG1 4.18Å; I79-S93 CarbonylContact C-O 3.44Å; I79-S93 WeakPolarHBondContact CA-O 3.5Å; I79-V94 HydrophobicContact CG1-CG1 4.33Å; I79-V94 HydrophobicContact CG2-CG1 4.31Å
80H93Very high86.7Confident48 Ų4848 Ų4822%0.22225%0.25CS..EExtended strand (participates in β ladder)trans-133142.9-177.6-62.9-79.8000110.4I12 E78 V92 S93I12-H80 HydrophobicContact CD1-CB 3.39Å; I12-H80 HydrophobicContact CG1-CB 3.94Å; I12-H80 VanDerWaalsContact CG2-CD2 3.43Å; I12-H80 WeakPolarHBondContact CG2-CD2 3.5Å; E78-H80 WeakPolarHBondContact CB-NE2 3.37Å; E78-H80 IonicContact OE2-CD2 2.74Å; E78-H80 IonicContact OE2-CE1 3.82Å; E78-H80 IonicContact OE2-NE2 3.81Å; E78-H80 PolarHBondContact OE2-NE2 3.42Å; H80-V92 CarbonylContact O-C 3.41Å; H80-V92 WeakPolarHBondContact O-CA 3.47Å; H80-S93 PolarHBondContact N-O 3.38Å; H80-S93 PolarHBondContact O-N 2.9Å
81M90.4Very high86.9Confident53 Ų5348.4 Ų48.426%0.26125%0.252SS..EExtended strand (participates in β ladder)trans-113.1133.4171.8-167.3176.7-16500108.9L52 G55 Y56 F59 I90 Y91 V92L52-M81 HydrophobicContact CD1-CE 3.69Å; G55-M81 VanDerWaalsContact CA-CE 3.45Å; Y56-M81 HydrophobicContact CD1-SD 3.94Å; Y56-M81 HydrophobicContact CD2-CE 4.48Å; Y56-M81 HydrophobicContact CE1-SD 3.93Å; Y56-M81 HydrophobicContact CG-CE 4.36Å; Y56-M81 HydrophobicContact CG-SD 4.37Å; F59-M81 HydrophobicContact CD2-CB 4.14Å; M81-I90 HydrophobicContact CE-CG2 3.55Å; M81-Y91 WeakPolarHBondContact CA-O 3.22Å; M81-V92 HydrophobicContact CG-CG2 4.47Å
82S90Very high87.4Confident14 Ų1447 Ų4710%0.09824%0.242CC..EExtended strand (participates in β ladder)trans-144152.8-178.960.30000111.3H8 M9 Y91H8-S82 PolarHBondContact CD2-OG 3.04Å; H8-S82 VanDerWaalsContact CD2-OG 3.32Å; M9-S82 PolarHBondContact SD-OG 3.13Å; S82-Y91 PolarHBondContact N-O 2.93Å; S82-Y91 PolarHBondContact O-N 3.31Å
83M88.5Confident87.6Confident106 Ų10646.9 Ų46.952%0.52224%0.242SC..EExtended strand (participates in β ladder)trans-116.9128.6173.8-178.4173.773.400108.5H8 P85 I90H8-M83 VanDerWaalsContact CB-O 3.26Å; H8-M83 WeakPolarHBondContact CB-O 3.32Å; M83-P85 VanDerWaalsContact O-CD 3.3Å; M83-P85 WeakPolarHBondContact O-CD 3.49Å; M83-I90 HydrophobicContact CB-CD1 3.71Å; M83-I90 HydrophobicContact CG-CD1 3.62Å; M83-I90 HydrophobicContact SD-CD1 3.88Å
84N84.4Confident87.8Confident4 Ų446.2 Ų46.22%0.02124%0.238CC..  trans-77.3114.2172.8-176.5-15.9000109.4D5 H8 K86 N87 S88 A89 Y91D5-N84 PolarHBondContact O-ND2 3.14Å; H8-N84 WeakPolarHBondContact ND1-CB 3.32Å; N84-K86 PolarHBondContact O-N 3.42Å; N84-K86 PolarHBondContact OD1-N 3.37Å; N84-N87 WeakPolarHBondContact CB-OD1 3.28Å; N84-N87 PolarHBondContact ND2-OD1 3.41Å; N84-N87 PolarHBondContact O-N 3.05Å; N84-S88 WeakPolarHBondContact O-CA 3.48Å; N84-S88 PolarHBondContact O-N 3.11Å; N84-A89 PolarHBondContact N-O 2.91Å; N84-Y91 HydrophobicContact CB-CD2 4.48Å; N84-Y91 HydrophobicContact CB-CE2 3.98Å
85P83.4Confident88.1Confident94 Ų9445.3 Ų45.361%0.6123%0.232SC*.THydrogen-bonded Turntrans-68.2-19.8-175.128.6-36.2000113.3M83M83-P85 VanDerWaalsContact O-CD 3.3Å; M83-P85 WeakPolarHBondContact O-CD 3.49Å
86K82.4Confident88.3Confident123 Ų12339.7 Ų39.754%0.53521%0.211SC..THydrogen-bonded Turntrans-74.8-37.9-178.2-66.1-171.4-175.7-179.50112.9Q4 D5 N84Q4-K86 PolarHBondContact O-NZ 2.84Å; D5-K86 IonicContact OD1-NZ 2.8Å; D5-K86 PolarHBondContact OD1-NZ 3.48Å; N84-K86 PolarHBondContact O-N 3.42Å; N84-K86 PolarHBondContact OD1-N 3.37Å
87N83.4Confident88.4Confident92 Ų9241.8 Ų41.849%0.49223%0.227SC..THydrogen-bonded Turntrans-126.36-174.5643.1000113.2N84 A89N84-N87 WeakPolarHBondContact CB-OD1 3.28Å; N84-N87 PolarHBondContact ND2-OD1 3.41Å; N84-N87 PolarHBondContact O-N 3.05Å; N87-A89 PolarHBondContact O-N 3.14Å; N87-A89 VanDerWaalsContact OD1-CB 3.22Å; N87-A89 WeakPolarHBondContact OD1-CB 3.36Å; N87-A89 PolarHBondContact OD1-N 3.42Å; N87-A89 VanDerWaalsContact OD1-N 3.08Å
88S82.6Confident88.5Confident85 Ų8541.5 Ų41.559%0.59422%0.221SC*.  trans55.417.4-175.5-530000114.6N84 I90N84-S88 WeakPolarHBondContact O-CA 3.48Å; N84-S88 PolarHBondContact O-N 3.11Å; S88-I90 PolarHBondContact O-N 3.09Å
89A83.3Confident88.5Confident13 Ų1339.6 Ų39.611%0.10721%0.212CC..  trans-71.6130.5178.900000110.1N84 N87 Y91N84-A89 PolarHBondContact N-O 2.91Å; N87-A89 PolarHBondContact O-N 3.14Å; N87-A89 VanDerWaalsContact OD1-CB 3.22Å; N87-A89 WeakPolarHBondContact OD1-CB 3.36Å; N87-A89 PolarHBondContact OD1-N 3.42Å; N87-A89 VanDerWaalsContact OD1-N 3.08Å; A89-Y91 HydrophobicContact CB-CD2 4.5Å; A89-Y91 HydrophobicContact CB-CE2 3.63Å; A89-Y91 WeakPolarHBondContact O-CD2 3.26Å
90I85.8Confident88.3Confident13 Ų1345.2 Ų45.27%0.06724%0.242CC..EExtended strand (participates in β ladder)trans-88.7137.7177.8-58-63.6000108.8C49 L52 M81 M83 S88C49-I90 HydrophobicContact CB-CB 4Å; C49-I90 HydrophobicContact CB-CG2 3.93Å; C49-I90 PolarHBondContact N-O 2.66Å; L52-I90 HydrophobicContact CB-CG1 4.49Å; L52-I90 HydrophobicContact CD1-CD1 4.09Å; M81-I90 HydrophobicContact CE-CG2 3.55Å; M83-I90 HydrophobicContact CB-CD1 3.71Å; M83-I90 HydrophobicContact CG-CD1 3.62Å; M83-I90 HydrophobicContact SD-CD1 3.88Å; S88-I90 PolarHBondContact O-N 3.09Å
91Y87.2Confident88.2Confident23 Ų2344.2 Ų44.29%0.0924%0.239CC..EExtended strand (participates in β ladder)trans-126.5137.6176.8-66.8-92.3000110.8H8 M46 I47 E48 M81 S82 N84 A89H8-Y91 AromaticContact NE2-CD2 3.87Å; M46-Y91 HydrophobicContact CB-CD1 4.38Å; M46-Y91 HydrophobicContact CE-CD1 4.11Å; M46-Y91 HydrophobicContact CE-CG 4.27Å; I47-Y91 CarbonylContact O-C 3.49Å; I47-Y91 VanDerWaalsContact O-CA 3.23Å; I47-Y91 WeakPolarHBondContact O-CA 3.43Å; E48-Y91 HydrophobicContact CB-CD1 4.1Å; E48-Y91 HydrophobicContact CB-CE1 3.71Å; E48-Y91 HydrophobicContact CG-CE1 4.01Å; M81-Y91 WeakPolarHBondContact CA-O 3.22Å; S82-Y91 PolarHBondContact N-O 2.93Å; S82-Y91 PolarHBondContact O-N 3.31Å; N84-Y91 HydrophobicContact CB-CD2 4.48Å; N84-Y91 HydrophobicContact CB-CE2 3.98Å; A89-Y91 HydrophobicContact CB-CD2 4.5Å; A89-Y91 HydrophobicContact CB-CE2 3.63Å; A89-Y91 WeakPolarHBondContact O-CD2 3.26Å
92V89.8Confident88.3Confident0 Ų044.1 Ų44.10%024%0.242CC..EExtended strand (participates in β ladder)trans-108.5125.6161.3-179.50000107.7I47 G55 L58 F62 I79 H80 M81I47-V92 WeakPolarHBondContact CA-O 3.42Å; I47-V92 WeakPolarHBondContact CB-O 3.47Å; I47-V92 PolarHBondContact N-O 3.48Å; I47-V92 PolarHBondContact O-N 3.37Å; G55-V92 VanDerWaalsContact O-CG2 3.27Å; G55-V92 WeakPolarHBondContact O-CG2 3.31Å; L58-V92 HydrophobicContact CB-CG2 4.28Å; L58-V92 HydrophobicContact CD2-CB 3.89Å; L58-V92 HydrophobicContact CD2-CG1 4.35Å; L58-V92 HydrophobicContact CD2-CG2 4.12Å; L58-V92 HydrophobicContact CG-CB 4.14Å; L58-V92 HydrophobicContact CG-CG1 4.12Å; L58-V92 HydrophobicContact CG-CG2 4.19Å; F62-V92 HydrophobicContact CD2-CG1 3.57Å; F62-V92 HydrophobicContact CE2-CG1 3.74Å; I79-V92 HydrophobicContact CG2-CG1 4.18Å; H80-V92 CarbonylContact O-C 3.41Å; H80-V92 WeakPolarHBondContact O-CA 3.47Å; M81-V92 HydrophobicContact CG-CG2 4.47Å
93S91.5Very high88.4Confident0 Ų044.7 Ų44.70%025%0.246CC..EExtended strand (participates in β ladder)trans-120.5125.8-170.5-71.90000109.9M9 K45 I79 H80M9-S93 VanDerWaalsContact CE-OG 3.31Å; M9-S93 WeakPolarHBondContact CE-OG 3.39Å; K45-S93 WeakPolarHBondContact O-CA 3.46Å; I79-S93 CarbonylContact C-O 3.44Å; I79-S93 WeakPolarHBondContact CA-O 3.5Å; H80-S93 PolarHBondContact N-O 3.38Å; H80-S93 PolarHBondContact O-N 2.9Å
94V92.1Very high88.7Confident2 Ų239.6 Ų39.61%0.01222%0.221CC..EExtended strand (participates in β ladder)trans-115.8134.5178.3-61.20000110.7L44 K45 F62 I76 E78 I79 W164L44-V94 WeakPolarHBondContact CA-O 3.33Å; K45-V94 HydrophobicContact CB-CG2 3.72Å; K45-V94 HydrophobicContact CG-CG2 4.38Å; K45-V94 PolarHBondContact N-O 2.96Å; K45-V94 PolarHBondContact O-N 3.44Å; F62-V94 HydrophobicContact CB-CG1 4.41Å; F62-V94 HydrophobicContact CD1-CG1 3.91Å; F62-V94 HydrophobicContact CD2-CG1 3.61Å; F62-V94 HydrophobicContact CE1-CG1 4.02Å; F62-V94 HydrophobicContact CE2-CG1 3.68Å; F62-V94 HydrophobicContact CG-CG1 3.73Å; F62-V94 HydrophobicContact CZ-CG1 3.91Å; I76-V94 HydrophobicContact CG2-CB 4.28Å; I76-V94 HydrophobicContact CG2-CG1 4.44Å; E78-V94 WeakPolarHBondContact O-CA 3.36Å; I79-V94 HydrophobicContact CG1-CG1 4.33Å; I79-V94 HydrophobicContact CG2-CG1 4.31Å; V94-W164 HydrophobicContact CG2-CH2 4.24Å
95I93.1Very high89Confident0 Ų040.5 Ų40.50%023%0.226CC..EExtended strand (participates in β ladder)trans-111.8130.3175.5-58.9179.1000109.1I12 Y16 L33 F42 V43 L44 L77 E78I12-I95 HydrophobicContact CG2-CD1 4.02Å; Y16-I95 HydrophobicContact CD2-CD1 4.47Å; Y16-I95 HydrophobicContact CE2-CD1 4Å; L33-I95 HydrophobicContact CD1-CD1 4.12Å; L33-I95 HydrophobicContact CD1-CG1 4.42Å; F42-I95 HydrophobicContact CB-CG2 4Å; F42-I95 HydrophobicContact CD1-CG2 4.35Å; F42-I95 HydrophobicContact CG-CG2 4.43Å; V43-I95 WeakPolarHBondContact O-CA 3.3Å; L44-I95 HydrophobicContact CB-CG1 4.43Å; L44-I95 HydrophobicContact CD1-CG1 4.01Å; L77-I95 PolarHBondContact N-O 3.34Å; E78-I95 HydrophobicContact CB-CB 4.13Å; E78-I95 HydrophobicContact CB-CD1 4.43Å; E78-I95 PolarHBondContact N-O 3.14Å; E78-I95 PolarHBondContact O-N 2.98Å
96R91.2Very high89.5Confident16 Ų1641.6 Ų41.66%0.0622%0.221CC..EExtended strand (participates in β ladder)trans-141.2164175.858.9178.3171.282-9.8110.9F42 V43 P74 R75 T161 D162F42-R96 CarbonylContact C-O 3.57Å; F42-R96 VanDerWaalsContact CA-O 3.29Å; F42-R96 WeakPolarHBondContact CA-O 3.22Å; F42-R96 WeakPolarHBondContact CB-O 3.33Å; V43-R96 HydrophobicContact CB-CG 4.32Å; V43-R96 PolarHBondContact N-O 3.07Å; V43-R96 PolarHBondContact O-N 3.46Å; P74-R96 HydrophobicContact CB-CB 4.39Å; R75-R96 WeakPolarHBondContact O-CB 3.3Å; R96-T161 VanDerWaalsContact CZ-CG2 3.49Å; R96-T161 VanDerWaalsContact NH2-CB 3.27Å; R96-T161 PolarHBondContact NH2-OG1 3.31Å; R96-D162 IonicContact CZ-OD1 2.72Å; R96-D162 IonicContact NE-OD1 2.71Å; R96-D162 IonicContact NH2-OD1 3.78Å; R96-D162 PolarHBondContact NH2-OD1 3.29Å
97S90.8Very high90Very high53 Ų5336.5 Ų36.537%0.37120%0.199SC..EExtended strand (participates in β ladder)trans-57.2142.3174.3-56.80000111.7
98Y92.1Very high90.5Very high66 Ų6632.1 Ų32.126%0.25918%0.176SC..  trans-71.1135.1172.8177.9-98.7000110.2K32 Y41 V43 D100K32-Y98 HydrophobicContact CD-CD2 4.24Å; K32-Y98 HydrophobicContact CD-CE2 3.92Å; K32-Y98 HydrophobicContact CG-CD2 4.1Å; K32-Y98 HydrophobicContact CG-CE2 4.24Å; Y41-Y98 VanDerWaalsContact C-CB 3.46Å; Y41-Y98 VanDerWaalsContact O-CB 3.25Å; Y41-Y98 WeakPolarHBondContact O-CB 3.1Å; Y41-Y98 PolarHBondContact O-N 3.21Å; V43-Y98 HydrophobicContact CG2-CD2 3.71Å; V43-Y98 HydrophobicContact CG2-CG 4.46Å; Y98-D100 HydrophobicContact CD1-CB 4.14Å; Y98-D100 HydrophobicContact CE1-CB 3.87Å
99I90.5Very high90.9Very high10 Ų1032.4 Ų32.45%0.05117%0.167CC..  trans-94.2112.9173.1-64.6160.1000107.8P74 L101 F152 F159 T161P74-I99 HydrophobicContact CG-CD1 3.56Å; P74-I99 HydrophobicContact CG-CG1 3.73Å; I99-L101 HydrophobicContact CG2-CB 3.77Å; I99-L101 HydrophobicContact CG2-CD1 4.37Å; I99-L101 HydrophobicContact CG2-CG 4.06Å; I99-L101 PolarHBondContact O-N 3.03Å; I99-L101 VanDerWaalsContact O-N 3.14Å; I99-F152 HydrophobicContact CB-CD1 4.42Å; I99-F152 HydrophobicContact CB-CG 4.38Å; I99-F152 HydrophobicContact CD1-CB 4.47Å; I99-F152 HydrophobicContact CD1-CD2 3.72Å; I99-F152 HydrophobicContact CD1-CE2 4.13Å; I99-F152 HydrophobicContact CD1-CG 4.07Å; I99-F152 HydrophobicContact CG2-CB 3.7Å; I99-F152 HydrophobicContact CG2-CD1 4.02Å; I99-F152 HydrophobicContact CG2-CG 3.86Å; I99-F159 HydrophobicContact CD1-CB 3.52Å; I99-F159 HydrophobicContact CD1-CG 4.1Å; I99-F159 HydrophobicContact CG1-CB 4.03Å; I99-F159 HydrophobicContact CG1-CD2 4.23Å; I99-F159 HydrophobicContact CG1-CG 4.05Å; I99-F159 HydrophobicContact CG2-CB 4.25Å; I99-F159 HydrophobicContact CG2-CD2 3.7Å; I99-F159 HydrophobicContact CG2-CE2 4.4Å; I99-F159 HydrophobicContact CG2-CG 4.24Å; I99-T161 HydrophobicContact CD1-CG2 3.15Å
100D88.8Confident91.3Very high134 Ų13435.1 Ų35.172%0.71718%0.179SC*.  trans-88.459.1175.6-166.434.1000111.4Y98Y98-D100 HydrophobicContact CD1-CB 4.14Å; Y98-D100 HydrophobicContact CE1-CB 3.87Å
101L90.6Very high91.7Very high28 Ų2835.7 Ų35.715%0.14718%0.183CC..SBendtrans-139.2154.7175.2-66.4-175.6000109.2I99 F152 S154 K156 G157 F159I99-L101 HydrophobicContact CG2-CB 3.77Å; I99-L101 HydrophobicContact CG2-CD1 4.37Å; I99-L101 HydrophobicContact CG2-CG 4.06Å; I99-L101 PolarHBondContact O-N 3.03Å; I99-L101 VanDerWaalsContact O-N 3.14Å; L101-F152 HydrophobicContact CB-CB 4.13Å; L101-F152 WeakPolarHBondContact O-CD1 3.5Å; L101-S154 WeakPolarHBondContact CD2-OG 3.44Å; L101-K156 HydrophobicContact CD2-CB 4.45Å; L101-G157 WeakPolarHBondContact CD1-O 3.48Å; L101-F159 HydrophobicContact CD1-CD2 3.76Å; L101-F159 HydrophobicContact CD1-CE2 4.09Å
102P92.5Very high91.9Very high50 Ų5035 Ų3533%0.32518%0.181SC..  trans-68.1145.3172.628.2-32.9000111F106 I107 F152 L153P102-F106 HydrophobicContact CB-CD1 3.77Å; P102-F106 HydrophobicContact CB-CE1 4.41Å; P102-I107 HydrophobicContact CB-CG1 4.24Å; P102-I107 HydrophobicContact CG-CD1 4.22Å; P102-I107 HydrophobicContact CG-CG1 4.21Å; P102-F152 WeakPolarHBondContact O-CA 3.33Å; P102-L153 WeakPolarHBondContact CG-O 3.44Å; P102-L153 PolarHBondContact O-N 3.21Å; P102-L153 VanDerWaalsContact O-N 3.12Å
103S93Very high91.8Very high26 Ų2640.1 Ų40.118%0.18220%0.204CC..BIsolated β-bridgetrans-70.7154.717066.20000110.6D105 F106 I107 I151S103-D105 PolarHBondContact O-N 3.45Å; S103-F106 WeakPolarHBondContact O-CB 3.25Å; S103-F106 PolarHBondContact O-N 3.35Å; S103-F106 VanDerWaalsContact O-N 3.1Å; S103-F106 PolarHBondContact OG-N 3.31Å; S103-I107 WeakPolarHBondContact O-CG1 3.48Å; S103-I107 PolarHBondContact O-N 3.29Å; S103-I151 CarbonylContact C-O 3.56Å; S103-I151 VanDerWaalsContact CA-O 3.25Å; S103-I151 WeakPolarHBondContact CA-O 3.46Å
104L93.8Very high91.7Very high0 Ų046.6 Ų46.60%023%0.232CC..Hα-helixtrans-65.6-31.5176.1-169.465.4000111.1F106 I107 I108 M125 P148 I151 L153 V236 L240L104-F106 VanDerWaalsContact C-N 3.32Å; L104-F106 PolarHBondContact O-N 3.29Å; L104-I107 HydrophobicContact CD1-CB 4.33Å; L104-I107 HydrophobicContact CD1-CD1 4.21Å; L104-I107 HydrophobicContact CD1-CG2 4.46Å; L104-I107 PolarHBondContact O-N 3.44Å; L104-I108 HydrophobicContact CG-CD1 4.1Å; L104-I108 HydrophobicContact CG-CG1 4.38Å; L104-I108 WeakPolarHBondContact O-CB 3.41Å; L104-I108 WeakPolarHBondContact O-CG1 3.32Å; L104-I108 PolarHBondContact O-N 2.98Å; L104-M125 HydrophobicContact CD2-CE 4.05Å; L104-P148 HydrophobicContact CB-CB 4.02Å; L104-P148 VanDerWaalsContact CB-O 3.32Å; L104-P148 WeakPolarHBondContact CB-O 3.44Å; L104-P148 HydrophobicContact CD2-CB 4.26Å; L104-P148 HydrophobicContact CG-CB 4.18Å; L104-P148 PolarHBondContact N-O 3.15Å; L104-I151 HydrophobicContact CB-CB 3.93Å; L104-I151 HydrophobicContact CB-CG2 4.02Å; L104-I151 HydrophobicContact CD2-CB 4.25Å; L104-I151 HydrophobicContact CD2-CD1 4.03Å; L104-I151 HydrophobicContact CD2-CG2 4.11Å; L104-I151 PolarHBondContact N-O 3.06Å; L104-L153 HydrophobicContact CD1-CD2 4.36Å; L104-V236 HydrophobicContact CD2-CG1 3.43Å; L104-V236 VanDerWaalsContact CD2-CG1 3.43Å; L104-L240 HydrophobicContact CD1-CD1 4.04Å; L104-L240 HydrophobicContact CD1-CD2 3.65Å; L104-L240 HydrophobicContact CD1-CG 4.46Å; L104-L240 HydrophobicContact CD2-CD1 4.26Å; L104-L240 HydrophobicContact CD2-CD2 4.43Å; L104-L240 HydrophobicContact CG-CD2 4.18Å
105D91.8Very high91.5Very high23 Ų2349 Ų4912%0.12325%0.25CC..Hα-helixtrans-57.7-43.6170.4-177.977.2000112S103 I108 K109 P148S103-D105 PolarHBondContact O-N 3.45Å; D105-I108 PolarHBondContact O-N 3.32Å; D105-K109 VanDerWaalsContact CG-NZ 3.28Å; D105-K109 WeakPolarHBondContact O-CG 3.42Å; D105-K109 PolarHBondContact O-N 3.35Å; D105-K109 WeakPolarHBondContact OD1-CE 3.41Å; D105-K109 IonicContact OD1-NZ 3.06Å; D105-K109 PolarHBondContact OD1-NZ 2.88Å; D105-K109 VanDerWaalsContact OD1-NZ 3.11Å; D105-K109 WeakPolarHBondContact OD2-CE 3.46Å; D105-K109 IonicContact OD2-NZ 3.11Å; D105-K109 PolarHBondContact OD2-NZ 3.23Å; D105-P148 HydrophobicContact CB-CB 4.17Å; D105-P148 PolarHBondContact N-O 2.83Å
106F92.6Very high91.3Very high117 Ų11753.8 Ų53.851%0.51327%0.267SS..Hα-helixtrans-64.5-46.8174176.7-90.5000111.5P102 S103 L104 I108 K109 D110P102-F106 HydrophobicContact CB-CD1 3.77Å; P102-F106 HydrophobicContact CB-CE1 4.41Å; S103-F106 WeakPolarHBondContact O-CB 3.25Å; S103-F106 PolarHBondContact O-N 3.35Å; S103-F106 VanDerWaalsContact O-N 3.1Å; S103-F106 PolarHBondContact OG-N 3.31Å; L104-F106 VanDerWaalsContact C-N 3.32Å; L104-F106 PolarHBondContact O-N 3.29Å; F106-I108 VanDerWaalsContact C-N 3.29Å; F106-I108 PolarHBondContact O-N 3.42Å; F106-K109 PolarHBondContact O-N 3.22Å; F106-D110 HydrophobicContact CE1-CB 4.25Å; F106-D110 HydrophobicContact CZ-CB 4.46Å; F106-D110 VanDerWaalsContact O-CB 3.29Å; F106-D110 WeakPolarHBondContact O-CB 3.31Å; F106-D110 PolarHBondContact O-N 3.43Å
107I93.3Very high91.3Very high15 Ų1554 Ų548%0.07727%0.27CS..Hα-helixtrans-59-43.4178.6-65.3168.6000110.8P102 S103 L104 D110 N111 L117 L153P102-I107 HydrophobicContact CB-CG1 4.24Å; P102-I107 HydrophobicContact CG-CD1 4.22Å; P102-I107 HydrophobicContact CG-CG1 4.21Å; S103-I107 WeakPolarHBondContact O-CG1 3.48Å; S103-I107 PolarHBondContact O-N 3.29Å; L104-I107 HydrophobicContact CD1-CB 4.33Å; L104-I107 HydrophobicContact CD1-CD1 4.21Å; L104-I107 HydrophobicContact CD1-CG2 4.46Å; L104-I107 PolarHBondContact O-N 3.44Å; I107-D110 PolarHBondContact O-N 3Å; I107-N111 WeakPolarHBondContact O-CB 3.35Å; I107-N111 PolarHBondContact O-N 2.95Å; I107-N111 PolarHBondContact O-ND2 2.79Å; I107-L117 HydrophobicContact CG2-CD1 3.93Å; I107-L117 HydrophobicContact CG2-CD2 3.9Å; I107-L153 HydrophobicContact CD1-CB 4.18Å; I107-L153 WeakPolarHBondContact CD1-O 3.29Å
108I93.2Very high91.3Very high1 Ų157.6 Ų57.61%0.00528%0.281CS..Hα-helixtrans-58.8-56.3177.5-72.3167.8000109.3L104 D105 F106 D110 N111 I112 P148 W214 I239 L240 I243 E251L104-I108 HydrophobicContact CG-CD1 4.1Å; L104-I108 HydrophobicContact CG-CG1 4.38Å; L104-I108 WeakPolarHBondContact O-CB 3.41Å; L104-I108 WeakPolarHBondContact O-CG1 3.32Å; L104-I108 PolarHBondContact O-N 2.98Å; D105-I108 PolarHBondContact O-N 3.32Å; F106-I108 VanDerWaalsContact C-N 3.29Å; F106-I108 PolarHBondContact O-N 3.42Å; I108-D110 VanDerWaalsContact C-N 3.26Å; I108-D110 PolarHBondContact O-N 3.29Å; I108-N111 PolarHBondContact O-N 2.94Å; I108-I112 HydrophobicContact CG2-CD1 3.96Å; I108-I112 HydrophobicContact CG2-CG1 4.35Å; I108-I112 VanDerWaalsContact O-CG1 3.23Å; I108-I112 WeakPolarHBondContact O-CG1 3.45Å; I108-I112 PolarHBondContact O-N 3.11Å; I108-P148 HydrophobicContact CD1-CB 3.82Å; I108-P148 HydrophobicContact CD1-CG 3.83Å; I108-W214 HydrophobicContact CD1-CH2 3.86Å; I108-W214 HydrophobicContact CD1-CZ3 4.35Å; I108-I239 HydrophobicContact CD1-CG2 4.19Å; I108-L240 HydrophobicContact CD1-CD2 4.22Å; I108-L240 HydrophobicContact CG1-CD2 3.78Å; I108-I243 HydrophobicContact CB-CD1 4.37Å; I108-I243 HydrophobicContact CG1-CD1 4.34Å; I108-E251 HydrophobicContact CG2-CB 4.31Å
109K92.2Very high91.1Very high91 Ų9157.1 Ų57.140%0.39628%0.278SS..Hα-helixtrans-61.4-34.2-178.8-72.8169.7-178162.10113.4D105 F106 E251D105-K109 VanDerWaalsContact CG-NZ 3.28Å; D105-K109 WeakPolarHBondContact O-CG 3.42Å; D105-K109 PolarHBondContact O-N 3.35Å; D105-K109 WeakPolarHBondContact OD1-CE 3.41Å; D105-K109 IonicContact OD1-NZ 3.06Å; D105-K109 PolarHBondContact OD1-NZ 2.88Å; D105-K109 VanDerWaalsContact OD1-NZ 3.11Å; D105-K109 WeakPolarHBondContact OD2-CE 3.46Å; D105-K109 IonicContact OD2-NZ 3.11Å; D105-K109 PolarHBondContact OD2-NZ 3.23Å; F106-K109 PolarHBondContact O-N 3.22Å; K109-E251 WeakPolarHBondContact CE-OE1 3.45Å
110D92Very high90.9Very high69 Ų6959.4 Ų59.437%0.36930%0.296SS..Hα-helixtrans-78.5-26.7-179-168.551.4000113.2F106 I107 I108 K114F106-D110 HydrophobicContact CE1-CB 4.25Å; F106-D110 HydrophobicContact CZ-CB 4.46Å; F106-D110 VanDerWaalsContact O-CB 3.29Å; F106-D110 WeakPolarHBondContact O-CB 3.31Å; F106-D110 PolarHBondContact O-N 3.43Å; I107-D110 PolarHBondContact O-N 3Å; I108-D110 VanDerWaalsContact C-N 3.26Å; I108-D110 PolarHBondContact O-N 3.29Å; D110-K114 WeakPolarHBondContact O-CD 3.38Å; D110-K114 WeakPolarHBondContact O-CE 3.45Å; D110-K114 PolarHBondContact O-NZ 3.01Å; D110-K114 IonicContact OD1-NZ 3.77Å; D110-K114 PolarHBondContact OD1-NZ 3.42Å
111N93Very high90.9Very high26 Ų2653.9 Ų53.914%0.13927%0.266CS..Hα-helixtrans-102.8-9.3-176.9-74.5-92.8000114.5I107 I108 E113 K114 S115 I243I107-N111 WeakPolarHBondContact O-CB 3.35Å; I107-N111 PolarHBondContact O-N 2.95Å; I107-N111 PolarHBondContact O-ND2 2.79Å; I108-N111 PolarHBondContact O-N 2.94Å; N111-E113 PolarHBondContact O-N 2.94Å; N111-K114 PolarHBondContact O-N 2.71Å; N111-S115 PolarHBondContact O-N 3.31Å; N111-S115 PolarHBondContact OD1-OG 2.68Å; N111-I243 HydrophobicContact CB-CD1 3.49Å; N111-I243 VanDerWaalsContact CB-CD1 3.49Å; N111-I243 HydrophobicContact CB-CG1 4.12Å
112I91.6Very high90.9Very high9 Ų952.7 Ų52.75%0.04626%0.259CS..THydrogen-bonded Turntrans-52.7133.9172.3-78.6165000110.4I108 K114 I243 L246 F247 K248 E251I108-I112 HydrophobicContact CG2-CD1 3.96Å; I108-I112 HydrophobicContact CG2-CG1 4.35Å; I108-I112 VanDerWaalsContact O-CG1 3.23Å; I108-I112 WeakPolarHBondContact O-CG1 3.45Å; I108-I112 PolarHBondContact O-N 3.11Å; I112-K114 PolarHBondContact O-N 2.85Å; I112-I243 WeakPolarHBondContact CA-O 3.33Å; I112-I243 HydrophobicContact CG1-CG1 4.12Å; I112-L246 HydrophobicContact CG1-CB 4.32Å; I112-L246 WeakPolarHBondContact CG2-O 3.33Å; I112-F247 VanDerWaalsContact CG2-C 3.46Å; I112-K248 HydrophobicContact CG2-CB 4.24Å; I112-E251 HydrophobicContact CD1-CB 4.27Å
113E88.4Confident90.8Very high106 Ų10652.5 Ų52.550%0.49525%0.253SS..THydrogen-bonded Turntrans59.51.3-177.6-60.5172.7-175.300115.5N111 L246 F247 K248N111-E113 PolarHBondContact O-N 2.94Å; E113-L246 WeakPolarHBondContact CG-O 3.45Å; E113-F247 WeakPolarHBondContact OE1-CA 3.36Å; E113-K248 PolarHBondContact OE1-N 3.44Å
114K89.9Confident90.4Very high137 Ų13754.6 Ų54.660%0.59626%0.257SS*.THydrogen-bonded Turntrans-104.7-70.7-175.2-61.1-169.6-157.8159.30112.9D110 N111 I112D110-K114 WeakPolarHBondContact O-CD 3.38Å; D110-K114 WeakPolarHBondContact O-CE 3.45Å; D110-K114 PolarHBondContact O-NZ 3.01Å; D110-K114 IonicContact OD1-NZ 3.77Å; D110-K114 PolarHBondContact OD1-NZ 3.42Å; N111-K114 PolarHBondContact O-N 2.71Å; I112-K114 PolarHBondContact O-N 2.85Å
115S87.9Confident90.3Very high53 Ų5354.6 Ų54.637%0.37126%0.257SS..  trans-142.1149-167.237.70000111.4N111N111-S115 PolarHBondContact O-N 3.31Å; N111-S115 PolarHBondContact OD1-OG 2.68Å
116R88.4Confident90.4Very high99 Ų9953.5 Ų53.537%0.37425%0.251SS..PPolyproline II helixtrans-70.2146.4165.2-75.4179.6165.7170-3.1109.1K244 E273R116-K244 HydrophobicContact CG-CB 4.25Å; R116-K244 HydrophobicContact CG-CD 3.66Å; R116-K244 HydrophobicContact CG-CG 3.64Å; R116-K244 VanDerWaalsContact CZ-CE 3.43Å; R116-K244 VanDerWaalsContact NH2-NZ 3.13Å; R116-E273 IonicContact CZ-OE1 3.53Å; R116-E273 IonicContact CZ-OE2 2.7Å; R116-E273 IonicContact NH1-OE1 2.76Å; R116-E273 IonicContact NH1-OE2 3.66Å; R116-E273 PolarHBondContact NH1-OE2 3.31Å; R116-E273 IonicContact NH2-OE1 3.94Å; R116-E273 IonicContact NH2-OE2 2.92Å; R116-E273 PolarHBondContact NH2-OE2 2.97Å
117L90.4Very high90.3Very high21 Ų2148 Ų4811%0.1123%0.226CC..PPolyproline II helixtrans-75.1149.6163.6-66.1179.6000109.9I107 L121 I122 L240 I243I107-L117 HydrophobicContact CG2-CD1 3.93Å; I107-L117 HydrophobicContact CG2-CD2 3.9Å; L117-L121 HydrophobicContact CD2-CD2 4.28Å; L117-I122 HydrophobicContact CB-CD1 4.46Å; L117-I122 HydrophobicContact CB-CG1 4.33Å; L117-L240 HydrophobicContact CD1-CB 4.19Å; L117-L240 HydrophobicContact CD1-CD2 3.7Å; L117-L240 HydrophobicContact CD1-CG 4.34Å; L117-I243 HydrophobicContact CG-CG2 4.46Å
118E90.2Very high90.1Very high128 Ų12847.2 Ų47.260%0.59822%0.223SC*.PPolyproline II helixtrans-63.5138.9173-62.6-168.617000110.9S120 L121 I122E118-S120 WeakPolarHBondContact CB-OG 3.46Å; E118-S120 PolarHBondContact O-N 3.08Å; E118-S120 PolarHBondContact OE2-OG 3.17Å; E118-S120 VanDerWaalsContact OE2-OG 3.09Å; E118-L121 WeakPolarHBondContact O-CB 3.15Å; E118-L121 PolarHBondContact O-N 3.06Å; E118-I122 PolarHBondContact O-N 2.69Å
119W89.6Confident90.1Very high56 Ų5647.2 Ų47.221%0.21222%0.222CC..Hα-helixtrans-57.8-35.5176.7-73.5108.4000112.8L121 I122 Y123 I241 E273 H277 L280 F281W119-L121 PolarHBondContact O-N 2.94Å; W119-I122 HydrophobicContact CD2-CD1 4.47Å; W119-I122 HydrophobicContact CE3-CD1 4Å; W119-I122 HydrophobicContact CZ3-CD1 4.23Å; W119-I122 PolarHBondContact O-N 3.29Å; W119-Y123 HydrophobicContact CB-CD2 4.34Å; W119-Y123 HydrophobicContact CB-CE2 3.97Å; W119-Y123 WeakPolarHBondContact O-CB 3.27Å; W119-Y123 WeakPolarHBondContact O-CD2 3.39Å; W119-Y123 VanDerWaalsContact O-CG 3.26Å; W119-Y123 PolarHBondContact O-N 3.34Å; W119-I241 HydrophobicContact CH2-CD1 4.23Å; W119-I241 HydrophobicContact CH2-CG1 3.97Å; W119-I241 HydrophobicContact CH2-CG2 4.01Å; W119-I241 HydrophobicContact CZ3-CD1 4.07Å; W119-I241 HydrophobicContact CZ3-CG1 3.87Å; W119-E273 HydrophobicContact CZ2-CG 3.8Å; W119-H277 AromaticContact CD1-CE1 3.84Å; W119-H277 AromaticContact CD1-NE2 3.52Å; W119-H277 AromaticContact CD2-CD2 3.85Å; W119-H277 AromaticContact CD2-CE1 3.56Å; W119-H277 AromaticContact CD2-NE2 3.43Å; W119-H277 AromaticContact CE2-CD2 3.36Å; W119-H277 AromaticContact CE2-CE1 3.75Å; W119-H277 AromaticContact CE2-NE2 3.1Å; W119-H277 AromaticContact CG-CE1 3.66Å; W119-H277 AromaticContact CG-NE2 3.71Å; W119-H277 HydrophobicContact CH2-CB 4.29Å; W119-H277 AromaticContact CH2-CD2 3.63Å; W119-H277 AromaticContact CH2-CG 3.93Å; W119-H277 AromaticContact CZ2-CD2 3.25Å; W119-H277 WeakPolarHBondContact CZ2-CD2 3.42Å; W119-H277 AromaticContact CZ2-NE2 3.56Å; W119-H277 HydrophobicContact CZ3-CB 4.37Å; W119-H277 AromaticContact NE1-CD2 3.83Å; W119-H277 AromaticContact NE1-CE1 3.88Å; W119-H277 AromaticContact NE1-NE2 3.13Å; W119-H277 PolarHBondContact NE1-NE2 3.19Å; W119-H277 VanDerWaalsContact NE1-NE2 3.13Å; W119-L280 HydrophobicContact CZ3-CD2 3.88Å; W119-F281 HydrophobicContact CH2-CE2 4.49Å; W119-F281 HydrophobicContact CH2-CZ 4.33Å
120S86.3Confident90Very high59 Ų5942.9 Ų42.941%0.41320%0.204SC..Hα-helixtrans-53.2-41.7173.659.20000111.9E118 R124E118-S120 WeakPolarHBondContact CB-OG 3.46Å; E118-S120 PolarHBondContact O-N 3.08Å; E118-S120 PolarHBondContact OE2-OG 3.17Å; E118-S120 VanDerWaalsContact OE2-OG 3.09Å; S120-R124 VanDerWaalsContact O-CB 3.31Å; S120-R124 WeakPolarHBondContact O-CB 3.33Å; S120-R124 PolarHBondContact O-N 3.21Å
121L87.6Confident89.9Confident17 Ų1740.4 Ų40.49%0.08919%0.191CC..Hα-helixtrans-73.8-40.1-179.7-164.468.4000111.5L117 E118 W119 R124 M125 L153L117-L121 HydrophobicContact CD2-CD2 4.28Å; E118-L121 WeakPolarHBondContact O-CB 3.15Å; E118-L121 PolarHBondContact O-N 3.06Å; W119-L121 PolarHBondContact O-N 2.94Å; L121-R124 PolarHBondContact O-N 2.86Å; L121-M125 WeakPolarHBondContact O-CB 3.38Å; L121-M125 PolarHBondContact O-N 2.87Å; L121-L153 HydrophobicContact CD1-CD1 3.72Å; L121-L153 HydrophobicContact CD1-CD2 4.01Å; L121-L153 HydrophobicContact CD1-CG 3.74Å; L121-L153 HydrophobicContact CD2-CD2 4.28Å; L121-L153 HydrophobicContact CG-CD1 4.4Å; L121-L153 HydrophobicContact CG-CD2 3.79Å; L121-L153 HydrophobicContact CG-CG 4.08Å
122I91.2Very high89.7Confident3 Ų339.1 Ų39.12%0.01518%0.184CC..Hα-helixtrans-62.1-47.7175.3-62.7173.8000110.3L117 E118 W119 R124 M125 F126 I237 L240 I241L117-I122 HydrophobicContact CB-CD1 4.46Å; L117-I122 HydrophobicContact CB-CG1 4.33Å; E118-I122 PolarHBondContact O-N 2.69Å; W119-I122 HydrophobicContact CD2-CD1 4.47Å; W119-I122 HydrophobicContact CE3-CD1 4Å; W119-I122 HydrophobicContact CZ3-CD1 4.23Å; W119-I122 PolarHBondContact O-N 3.29Å; I122-R124 VanDerWaalsContact C-N 3.33Å; I122-R124 PolarHBondContact O-N 3.49Å; I122-M125 WeakPolarHBondContact O-CB 3.44Å; I122-M125 PolarHBondContact O-N 2.95Å; I122-F126 PolarHBondContact O-N 3.38Å; I122-I237 HydrophobicContact CG2-CD1 4.01Å; I122-I237 HydrophobicContact CG2-CG2 4Å; I122-L240 HydrophobicContact CG1-CB 4.37Å; I122-I241 HydrophobicContact CD1-CG1 4.03Å; I122-I241 HydrophobicContact CG2-CG1 4.45Å
123Y90.1Very high89.6Confident47 Ų4738.9 Ų38.918%0.18418%0.183CC..Hα-helixtrans-62.7-40176.2-67.3-40.3000112.8W119 F126 G127 H277 L280 Y306 L310W119-Y123 HydrophobicContact CB-CD2 4.34Å; W119-Y123 HydrophobicContact CB-CE2 3.97Å; W119-Y123 WeakPolarHBondContact O-CB 3.27Å; W119-Y123 WeakPolarHBondContact O-CD2 3.39Å; W119-Y123 VanDerWaalsContact O-CG 3.26Å; W119-Y123 PolarHBondContact O-N 3.34Å; Y123-F126 PolarHBondContact O-N 3.46Å; Y123-G127 PolarHBondContact O-N 3.03Å; Y123-H277 AromaticContact CZ-ND1 3.86Å; Y123-H277 PolarHBondContact OH-CE1 3.18Å; Y123-H277 PolarHBondContact OH-ND1 2.92Å; Y123-L280 HydrophobicContact CE1-CD2 3.88Å; Y123-Y306 WeakPolarHBondContact CE1-OH 3.44Å; Y123-Y306 PolarHBondContact OH-OH 3.06Å; Y123-L310 HydrophobicContact CD1-CD1 4.27Å; Y123-L310 HydrophobicContact CD1-CD2 3.61Å; Y123-L310 HydrophobicContact CE1-CD2 4.18Å; Y123-L310 HydrophobicContact CG-CD2 3.8Å
124R85.7Confident89.6Confident70 Ų7034.5 Ų34.526%0.26416%0.164SC..Hα-helixtrans-60.9-46.8175-173.2-178-61.9-174.9-2.3111.4S120 L121 I122 S128 S154 D155 T314S120-R124 VanDerWaalsContact O-CB 3.31Å; S120-R124 WeakPolarHBondContact O-CB 3.33Å; S120-R124 PolarHBondContact O-N 3.21Å; L121-R124 PolarHBondContact O-N 2.86Å; I122-R124 VanDerWaalsContact C-N 3.33Å; I122-R124 PolarHBondContact O-N 3.49Å; R124-S128 WeakPolarHBondContact O-CB 3.49Å; R124-S128 PolarHBondContact O-N 2.89Å; R124-S128 PolarHBondContact O-OG 3.15Å; R124-S154 PolarHBondContact NH1-O 3.28Å; R124-D155 PolarHBondContact NH1-O 3.18Å; R124-T314 HydrophobicContact CG-CG2 4.48Å
125M90.6Very high89.5Confident0 Ų029.4 Ų29.40%015%0.145CC..Hα-helixtrans-58.5-50176.6-173.7-80.7174.600110.6L104 L121 I122 G127 S128 V129 I151 L153 F158 L233 V236 I237 L240L104-M125 HydrophobicContact CD2-CE 4.05Å; L121-M125 WeakPolarHBondContact O-CB 3.38Å; L121-M125 PolarHBondContact O-N 2.87Å; I122-M125 WeakPolarHBondContact O-CB 3.44Å; I122-M125 PolarHBondContact O-N 2.95Å; M125-G127 PolarHBondContact O-N 3.47Å; M125-S128 PolarHBondContact O-N 3.43Å; M125-V129 HydrophobicContact CE-CG2 3.55Å; M125-V129 WeakPolarHBondContact O-CG2 3.35Å; M125-V129 PolarHBondContact O-N 2.89Å; M125-V129 HydrophobicContact SD-CG2 3.98Å; M125-I151 HydrophobicContact CE-CD1 3.6Å; M125-L153 HydrophobicContact CB-CD2 3.84Å; M125-L153 HydrophobicContact CG-CD2 4.13Å; M125-F158 HydrophobicContact CG-CE2 4.34Å; M125-L233 HydrophobicContact CE-CD1 4.04Å; M125-L233 HydrophobicContact SD-CD1 3.93Å; M125-V236 HydrophobicContact CE-CB 4.18Å; M125-V236 HydrophobicContact CE-CG1 3.47Å; M125-V236 VanDerWaalsContact CE-CG1 3.47Å; M125-I237 HydrophobicContact CB-CD1 4.46Å; M125-I237 HydrophobicContact CG-CD1 4.48Å; M125-I237 HydrophobicContact SD-CD1 3.34Å; M125-I237 WeakPolarHBondContact SD-CD1 3.24Å; M125-I237 HydrophobicContact SD-CG1 4.01Å; M125-L240 HydrophobicContact CG-CD1 4.2Å; M125-L240 HydrophobicContact SD-CD1 4.44Å
126F93.3Very high89.3Confident0 Ų027.1 Ų27.10%013%0.129CC..Hα-helixtrans-52.6-59.1179.9-175.3-82.5000111.9I122 Y123 S128 L130 L233 I237 L280 M287 L301 V307 L310I122-F126 PolarHBondContact O-N 3.38Å; Y123-F126 PolarHBondContact O-N 3.46Å; F126-S128 PolarHBondContact O-N 3.26Å; F126-L130 HydrophobicContact CE1-CD2 3.94Å; F126-L130 WeakPolarHBondContact O-CB 3.33Å; F126-L130 PolarHBondContact O-N 3.43Å; F126-L233 HydrophobicContact CD2-CD2 4.44Å; F126-L233 HydrophobicContact CE2-CD2 4.37Å; F126-I237 HydrophobicContact CB-CD1 3.79Å; F126-I237 HydrophobicContact CD2-CD1 4.16Å; F126-I237 HydrophobicContact CD2-CG1 4.01Å; F126-I237 HydrophobicContact CG-CD1 4.5Å; F126-L280 HydrophobicContact CD2-CD1 4.23Å; F126-L280 HydrophobicContact CE2-CD1 4.29Å; F126-M287 HydrophobicContact CE2-CE 3.95Å; F126-M287 HydrophobicContact CE2-SD 3.78Å; F126-M287 HydrophobicContact CZ-CE 4.42Å; F126-M287 HydrophobicContact CZ-SD 4.14Å; F126-L301 HydrophobicContact CZ-CD1 4.44Å; F126-V307 HydrophobicContact CE1-CG1 4.27Å; F126-V307 HydrophobicContact CE1-CG2 4.15Å; F126-V307 HydrophobicContact CZ-CG2 4.28Å; F126-L310 HydrophobicContact CD1-CD1 3.92Å; F126-L310 HydrophobicContact CE1-CD1 4.17Å
127G91.1Very high89.1Confident0 Ų026 Ų260%013%0.127CC..Hα-helixtrans-70.8-31.4-175.100000113.2Y123 M125 L130 T131 T314Y123-G127 PolarHBondContact O-N 3.03Å; M125-G127 PolarHBondContact O-N 3.47Å; G127-L130 PolarHBondContact O-N 3.29Å; G127-T131 PolarHBondContact O-N 2.98Å; G127-T131 PolarHBondContact O-OG1 3.36Å; G127-T314 VanDerWaalsContact CA-OG1 3.24Å; G127-T314 WeakPolarHBondContact CA-OG1 3.27Å
128S89.4Confident88.8Confident0 Ų033.3 Ų33.30%016%0.157CC..Hα-helixtrans-69.2-43.9178.1-54.40000112.2R124 M125 F126 T131 V132 F158R124-S128 WeakPolarHBondContact O-CB 3.49Å; R124-S128 PolarHBondContact O-N 2.89Å; R124-S128 PolarHBondContact O-OG 3.15Å; M125-S128 PolarHBondContact O-N 3.43Å; F126-S128 PolarHBondContact O-N 3.26Å; S128-T131 PolarHBondContact O-N 2.91Å; S128-V132 WeakPolarHBondContact O-CG2 3.31Å; S128-V132 PolarHBondContact O-N 3.26Å; S128-F158 VanDerWaalsContact CB-CE1 3.44Å; S128-F158 VanDerWaalsContact CB-CG 3.49Å
129V92.1Very high88.3Confident0 Ų029.1 Ų29.10%015%0.145CC..Hα-helixtrans-62.5-47.5173.8173.10000110.7M125 T131 V132 I133 F146 I151 F158 M160 L233M125-V129 HydrophobicContact CE-CG2 3.55Å; M125-V129 WeakPolarHBondContact O-CG2 3.35Å; M125-V129 PolarHBondContact O-N 2.89Å; M125-V129 HydrophobicContact SD-CG2 3.98Å; V129-T131 PolarHBondContact O-N 3.42Å; V129-V132 WeakPolarHBondContact O-CB 3.48Å; V129-V132 PolarHBondContact O-N 3.4Å; V129-I133 HydrophobicContact CG1-CD1 3.62Å; V129-I133 HydrophobicContact CG1-CG1 4.2Å; V129-I133 WeakPolarHBondContact O-CG1 3.42Å; V129-I133 PolarHBondContact O-N 2.96Å; V129-F146 HydrophobicContact CG1-CE2 4.02Å; V129-F146 HydrophobicContact CG1-CZ 4.05Å; V129-I151 HydrophobicContact CG2-CD1 4.44Å; V129-F158 HydrophobicContact CG2-CE2 3.98Å; V129-F158 HydrophobicContact CG2-CZ 3.57Å; V129-M160 HydrophobicContact CB-CE 4.2Å; V129-M160 HydrophobicContact CG1-CE 3.82Å; V129-M160 HydrophobicContact CG2-CE 3.73Å; V129-L233 HydrophobicContact CB-CD1 3.8Å; V129-L233 HydrophobicContact CG1-CD1 3.76Å; V129-L233 HydrophobicContact CG1-CD2 4.22Å; V129-L233 HydrophobicContact CG1-CG 4.42Å; V129-L233 HydrophobicContact CG2-CD1 4.15Å
130L92.1Very high87.6Confident1 Ų133.5 Ų33.51%0.00517%0.172CC..Hα-helixtrans-60.6-36-178.4-172.560.7000111.7F126 G127 T134 L233 L298 L301 L302 V307 M311F126-L130 HydrophobicContact CE1-CD2 3.94Å; F126-L130 WeakPolarHBondContact O-CB 3.33Å; F126-L130 PolarHBondContact O-N 3.43Å; G127-L130 PolarHBondContact O-N 3.29Å; L130-T134 WeakPolarHBondContact O-CB 3.38Å; L130-T134 PolarHBondContact O-N 3.21Å; L130-T134 PolarHBondContact O-OG1 3.14Å; L130-L233 HydrophobicContact CB-CD2 4.34Å; L130-L298 HydrophobicContact CD1-CD1 3.46Å; L130-L298 VanDerWaalsContact CD1-CD1 3.46Å; L130-L301 HydrophobicContact CD1-CD2 3.83Å; L130-L301 HydrophobicContact CD2-CD2 4.29Å; L130-L301 HydrophobicContact CD2-CG 4.41Å; L130-L302 HydrophobicContact CD1-CD2 4.29Å; L130-L302 HydrophobicContact CD2-CD2 3.93Å; L130-L302 HydrophobicContact CG-CD2 3.92Å; L130-V307 HydrophobicContact CD2-CG1 3.36Å; L130-M311 HydrophobicContact CB-SD 3.9Å; L130-M311 HydrophobicContact CD2-CG 4.28Å; L130-M311 HydrophobicContact CD2-SD 3.89Å; L130-M311 HydrophobicContact CG-SD 4.02Å
131T89Confident87Confident16 Ų1631.5 Ų31.510%0.09816%0.158CC..Hα-helixtrans-67.1-37.6175-46.20000112.9G127 S128 V129 S135 M311 P316G127-T131 PolarHBondContact O-N 2.98Å; G127-T131 PolarHBondContact O-OG1 3.36Å; S128-T131 PolarHBondContact O-N 2.91Å; V129-T131 PolarHBondContact O-N 3.42Å; T131-S135 WeakPolarHBondContact O-CB 3.4Å; T131-S135 PolarHBondContact O-N 3.31Å; T131-S135 PolarHBondContact O-OG 2.67Å; T131-M311 HydrophobicContact CG2-CE 4.15Å; T131-M311 WeakPolarHBondContact OG1-CE 3.26Å; T131-P316 HydrophobicContact CG2-CG 3.23Å
132V89Confident86Confident0 Ų033.1 Ų33.10%018%0.179CC..Hα-helixtrans-63.7-51.2175.1174.20000110.4H70 Y72 V73 S128 V129 T134 S135 L136 M160 I163H70-V132 VanDerWaalsContact CE1-CG2 3.48Å; H70-V132 WeakPolarHBondContact CE1-CG2 3.45Å; Y72-V132 HydrophobicContact CD2-CG2 4.23Å; V73-V132 HydrophobicContact CG2-CG1 3.92Å; V73-V132 HydrophobicContact CG2-CG2 4.15Å; S128-V132 WeakPolarHBondContact O-CG2 3.31Å; S128-V132 PolarHBondContact O-N 3.26Å; V129-V132 WeakPolarHBondContact O-CB 3.48Å; V129-V132 PolarHBondContact O-N 3.4Å; V132-T134 VanDerWaalsContact C-N 3.32Å; V132-T134 PolarHBondContact O-N 3.02Å; V132-S135 PolarHBondContact O-N 3.32Å; V132-S135 VanDerWaalsContact O-N 3.16Å; V132-L136 HydrophobicContact CG1-CD1 3.81Å; V132-L136 HydrophobicContact CG1-CG 4.46Å; V132-L136 WeakPolarHBondContact O-CG 3.32Å; V132-L136 PolarHBondContact O-N 2.79Å; V132-M160 HydrophobicContact CB-SD 4.5Å; V132-M160 HydrophobicContact CG1-SD 3.91Å; V132-I163 HydrophobicContact CG1-CG2 4.27Å
133I90Very high84.8Confident3 Ų333.6 Ų33.62%0.01518%0.183CC..Hα-helixtrans-56-48.3178.8-65.7167.9000110.5V129 S135 L136 K137 I144 F146 D229 L298V129-I133 HydrophobicContact CG1-CD1 3.62Å; V129-I133 HydrophobicContact CG1-CG1 4.2Å; V129-I133 WeakPolarHBondContact O-CG1 3.42Å; V129-I133 PolarHBondContact O-N 2.96Å; I133-S135 VanDerWaalsContact C-N 3.31Å; I133-S135 PolarHBondContact O-N 3.09Å; I133-L136 PolarHBondContact O-N 3.22Å; I133-K137 PolarHBondContact O-N 3.05Å; I133-I144 HydrophobicContact CD1-CD1 4.24Å; I133-I144 HydrophobicContact CG1-CD1 3.51Å; I133-I144 HydrophobicContact CG1-CG1 4.15Å; I133-F146 HydrophobicContact CD1-CE1 4.14Å; I133-F146 HydrophobicContact CD1-CZ 4.32Å; I133-D229 HydrophobicContact CD1-CB 4.13Å; I133-L298 HydrophobicContact CG2-CD1 4.1Å; I133-L298 HydrophobicContact CG2-CD2 3.69Å
134T88.7Confident83.9Confident15 Ų1531.7 Ų31.79%0.09218%0.176CC..Hα-helixtrans-61.3-40.9-179.7-56.70000112.1L130 V132 K138 L302L130-T134 WeakPolarHBondContact O-CB 3.38Å; L130-T134 PolarHBondContact O-N 3.21Å; L130-T134 PolarHBondContact O-OG1 3.14Å; V132-T134 VanDerWaalsContact C-N 3.32Å; V132-T134 PolarHBondContact O-N 3.02Å; T134-K138 HydrophobicContact CG2-CD 4.43Å; T134-K138 WeakPolarHBondContact O-CG 3.42Å; T134-K138 PolarHBondContact O-N 3Å; T134-K138 VanDerWaalsContact O-N 3.12Å; T134-L302 HydrophobicContact CG2-CD1 3.75Å; T134-L302 WeakPolarHBondContact OG1-CD2 3.41Å
135S86.4Confident83.2Confident30 Ų3028.4 Ų28.421%0.2116%0.163CC..Hα-helixtrans-69.6-38-179.9-60.80000111.7H70 T131 V132 I133 K138 A139H70-S135 PolarHBondContact CD2-OG 3.31Å; H70-S135 VanDerWaalsContact CD2-OG 3.31Å; H70-S135 PolarHBondContact NE2-OG 3.25Å; T131-S135 WeakPolarHBondContact O-CB 3.4Å; T131-S135 PolarHBondContact O-N 3.31Å; T131-S135 PolarHBondContact O-OG 2.67Å; V132-S135 PolarHBondContact O-N 3.32Å; V132-S135 VanDerWaalsContact O-N 3.16Å; I133-S135 VanDerWaalsContact C-N 3.31Å; I133-S135 PolarHBondContact O-N 3.09Å; S135-K138 PolarHBondContact O-N 3.19Å; S135-A139 WeakPolarHBondContact O-CB 3.17Å; S135-A139 PolarHBondContact O-N 2.83Å
136L84.9Confident82.6Confident4 Ų428.6 Ų28.62%0.02116%0.164CC..Hα-helixtrans-64.9-46.3176.5-73.9168000111.9F68 V132 I133 K138 A139 N140 C141 I144 I163F68-L136 HydrophobicContact CD1-CD2 3.83Å; F68-L136 HydrophobicContact CD2-CD2 3.89Å; F68-L136 HydrophobicContact CE1-CD2 3.57Å; F68-L136 HydrophobicContact CE1-CG 4Å; F68-L136 HydrophobicContact CE2-CD2 3.66Å; F68-L136 HydrophobicContact CE2-CG 4.04Å; F68-L136 HydrophobicContact CG-CD2 3.96Å; F68-L136 HydrophobicContact CZ-CD2 3.48Å; F68-L136 VanDerWaalsContact CZ-CD2 3.48Å; F68-L136 HydrophobicContact CZ-CG 3.61Å; V132-L136 HydrophobicContact CG1-CD1 3.81Å; V132-L136 HydrophobicContact CG1-CG 4.46Å; V132-L136 WeakPolarHBondContact O-CG 3.32Å; V132-L136 PolarHBondContact O-N 2.79Å; I133-L136 PolarHBondContact O-N 3.22Å; L136-K138 VanDerWaalsContact C-N 3.31Å; L136-K138 PolarHBondContact O-N 2.84Å; L136-A139 CarbonylContact O-C 3.6Å; L136-A139 WeakPolarHBondContact O-CA 3.44Å; L136-A139 WeakPolarHBondContact O-CB 3.47Å; L136-A139 PolarHBondContact O-N 3.46Å; L136-N140 PolarHBondContact O-N 3.11Å; L136-N140 VanDerWaalsContact O-N 3.08Å; L136-C141 CarbonylContact C-O 3.28Å; L136-C141 HydrophobicContact CB-CB 4.24Å; L136-C141 HydrophobicContact CD2-CB 3.65Å; L136-C141 PolarHBondContact O-N 2.99Å; L136-C141 VanDerWaalsContact O-O 3.11Å; L136-I144 HydrophobicContact CD1-CG2 3.28Å; L136-I163 HydrophobicContact CD1-CB 4.18Å; L136-I163 HydrophobicContact CD1-CD1 4.13Å; L136-I163 HydrophobicContact CD2-CD1 3.69Å; L136-I163 HydrophobicContact CG-CD1 4.43Å
137K83.9Confident82.2Confident77 Ų7729.1 Ų29.134%0.33517%0.166SC..Hα-helixtrans-55.2-46.3173.1178.4175-175.4166.40112.3I133 A139 N140 D226 L298 N299I133-K137 PolarHBondContact O-N 3.05Å; K137-A139 PolarHBondContact O-N 3.3Å; K137-N140 PolarHBondContact O-N 3.24Å; K137-D226 WeakPolarHBondContact CD-OD2 3.33Å; K137-D226 WeakPolarHBondContact CE-OD2 3.37Å; K137-D226 IonicContact NZ-OD2 2.92Å; K137-D226 PolarHBondContact NZ-OD2 3.03Å; K137-L298 HydrophobicContact CD-CD2 3.68Å; K137-N299 PolarHBondContact NZ-OD1 3.09Å
138K83.9Confident82.2Confident173 Ų17329.1 Ų29.175%0.75217%0.166SC*.Hα-helixtrans-63-31176.6-74.7175.8-178.91780112.8T134 S135 L136 N140T134-K138 HydrophobicContact CG2-CD 4.43Å; T134-K138 WeakPolarHBondContact O-CG 3.42Å; T134-K138 PolarHBondContact O-N 3Å; T134-K138 VanDerWaalsContact O-N 3.12Å; S135-K138 PolarHBondContact O-N 3.19Å; L136-K138 VanDerWaalsContact C-N 3.31Å; L136-K138 PolarHBondContact O-N 2.84Å; K138-N140 VanDerWaalsContact C-N 3.26Å
139A80.4Confident82.1Confident41 Ų4129.9 Ų29.934%0.33917%0.174SC..THydrogen-bonded Turntrans-82.80.3175.700000113.4F68 S135 L136 K137 C141F68-A139 HydrophobicContact CD2-CB 3.81Å; F68-A139 HydrophobicContact CE2-CB 4.07Å; S135-A139 WeakPolarHBondContact O-CB 3.17Å; S135-A139 PolarHBondContact O-N 2.83Å; L136-A139 CarbonylContact O-C 3.6Å; L136-A139 WeakPolarHBondContact O-CA 3.44Å; L136-A139 WeakPolarHBondContact O-CB 3.47Å; L136-A139 PolarHBondContact O-N 3.46Å; K137-A139 PolarHBondContact O-N 3.3Å; A139-C141 PolarHBondContact O-N 3.17Å; A139-C141 VanDerWaalsContact O-N 3.14Å
140N74.7Confident81.9Confident147 Ų14730.3 Ų30.379%0.78618%0.177SC*.THydrogen-bonded Turntrans55.823.4-173.2-156.143.8000113.5L136 K137 K138L136-N140 PolarHBondContact O-N 3.11Å; L136-N140 VanDerWaalsContact O-N 3.08Å; K137-N140 PolarHBondContact O-N 3.24Å; K138-N140 VanDerWaalsContact C-N 3.26Å
141C72.2Confident81.9Confident17 Ų1730.3 Ų30.312%0.11518%0.177CC..  trans-79.6116.4162.1-56.70000104.6L136 A139L136-C141 CarbonylContact C-O 3.28Å; L136-C141 HydrophobicContact CB-CB 4.24Å; L136-C141 HydrophobicContact CD2-CB 3.65Å; L136-C141 PolarHBondContact O-N 2.99Å; L136-C141 VanDerWaalsContact O-O 3.11Å; A139-C141 PolarHBondContact O-N 3.17Å; A139-C141 VanDerWaalsContact O-N 3.14Å
142G67Low82.1Confident51 Ų5131.2 Ų31.253%0.52618%0.179SC..  trans-58.3-170.5-173.100000115.1
143S67.1Low82.2Confident14 Ų1431.3 Ų31.310%0.09818%0.18CC..  trans-54.6154.7179.5-55.30000112.9P166 T225 D226 D229S143-P166 WeakPolarHBondContact O-CD 3.26Å; S143-T225 WeakPolarHBondContact OG-CA 3.22Å; S143-T225 PolarHBondContact OG-O 2.72Å; S143-D226 PolarHBondContact OG-N 3.11Å; S143-D226 VanDerWaalsContact OG-N 3.13Å; S143-D229 WeakPolarHBondContact CA-OD2 3.31Å; S143-D229 WeakPolarHBondContact CB-OD2 3.48Å
144I71.4Confident82Confident6 Ų632.3 Ų32.33%0.03119%0.187CC..  trans-105.8137.6-171.646.5163.4000113.5I133 L136 F146 M160 I163 D229I133-I144 HydrophobicContact CD1-CD1 4.24Å; I133-I144 HydrophobicContact CG1-CD1 3.51Å; I133-I144 HydrophobicContact CG1-CG1 4.15Å; L136-I144 HydrophobicContact CD1-CG2 3.28Å; I144-F146 HydrophobicContact CB-CD1 4.42Å; I144-F146 HydrophobicContact CD1-CB 4.11Å; I144-F146 HydrophobicContact CD1-CD1 3.25Å; I144-F146 HydrophobicContact CD1-CE1 3.78Å; I144-F146 HydrophobicContact CD1-CG 3.89Å; I144-F146 HydrophobicContact CG1-CD1 3.57Å; I144-F146 HydrophobicContact CG1-CE1 4.08Å; I144-F146 PolarHBondContact O-N 3.41Å; I144-M160 HydrophobicContact CD1-SD 4.01Å; I144-I163 HydrophobicContact CG2-CB 4.42Å; I144-D229 HydrophobicContact CG1-CB 4.38Å; I144-D229 WeakPolarHBondContact CG1-OD2 3.34Å; I144-D229 PolarHBondContact N-OD1 2.85Å; I144-D229 PolarHBondContact N-OD2 2.98Å; I144-D229 VanDerWaalsContact O-OD1 3.06Å
145Y69.1Low81.4Confident2 Ų236.9 Ų36.91%0.00821%0.211CC..  trans-84.389.1162.8-173.7-105.8000110.6H147 M169 R210 Y211 I212 C215 F224Y145-H147 AromaticContact CE1-CD2 3.54Å; Y145-M169 HydrophobicContact CD1-CG 3.99Å; Y145-M169 HydrophobicContact CD1-SD 3.53Å; Y145-M169 VanDerWaalsContact CD1-SD 3.53Å; Y145-M169 HydrophobicContact CD2-CG 4.26Å; Y145-M169 HydrophobicContact CE1-SD 4.09Å; Y145-M169 HydrophobicContact CG-CG 3.69Å; Y145-M169 HydrophobicContact CG-SD 3.91Å; Y145-R210 PolarHBondContact OH-O 2.93Å; Y145-Y211 WeakPolarHBondContact OH-CA 3.45Å; Y145-Y211 PolarHBondContact OH-O 2.93Å; Y145-I212 PolarHBondContact OH-N 3.01Å; Y145-C215 WeakPolarHBondContact CE2-SG 3.46Å; Y145-F224 HydrophobicContact CD2-CE1 4.07Å
146F79.2Confident80.7Confident3 Ų344.3 Ų44.31%0.01324%0.239CC..  trans-115.3146.117478.2-79.5000113.1V129 I133 I144 I151 M160 D229 T232 L233V129-F146 HydrophobicContact CG1-CE2 4.02Å; V129-F146 HydrophobicContact CG1-CZ 4.05Å; I133-F146 HydrophobicContact CD1-CE1 4.14Å; I133-F146 HydrophobicContact CD1-CZ 4.32Å; I144-F146 HydrophobicContact CB-CD1 4.42Å; I144-F146 HydrophobicContact CD1-CB 4.11Å; I144-F146 HydrophobicContact CD1-CD1 3.25Å; I144-F146 HydrophobicContact CD1-CE1 3.78Å; I144-F146 HydrophobicContact CD1-CG 3.89Å; I144-F146 HydrophobicContact CG1-CD1 3.57Å; I144-F146 HydrophobicContact CG1-CE1 4.08Å; I144-F146 PolarHBondContact O-N 3.41Å; F146-I151 HydrophobicContact CD2-CD1 3.9Å; F146-I151 HydrophobicContact CE2-CD1 4.42Å; F146-M160 HydrophobicContact CB-CE 4.15Å; F146-M160 HydrophobicContact CB-SD 4.21Å; F146-M160 HydrophobicContact CD2-CE 4.03Å; F146-M160 HydrophobicContact CG-CE 4.14Å; F146-D229 HydrophobicContact CE1-CB 4.07Å; F146-D229 WeakPolarHBondContact CZ-O 3.3Å; F146-T232 HydrophobicContact CD1-CG2 4.24Å; F146-T232 HydrophobicContact CD2-CG2 4.14Å; F146-T232 HydrophobicContact CE1-CG2 3.88Å; F146-T232 HydrophobicContact CE2-CG2 3.75Å; F146-T232 HydrophobicContact CG-CG2 4.4Å; F146-T232 HydrophobicContact CZ-CG2 3.64Å; F146-T232 WeakPolarHBondContact O-CG2 3.43Å; F146-L233 HydrophobicContact CZ-CB 3.99Å
147H84.7Confident80.5Confident11 Ų1144.2 Ų44.25%0.05124%0.239CC..  trans-150.6168.7178.760.789.1000108.3Y145 G149 N150 Y211 W214Y145-H147 AromaticContact CE1-CD2 3.54Å; H147-G149 PolarHBondContact ND1-N 2.94Å; H147-G149 VanDerWaalsContact ND1-N 3.15Å; H147-G149 PolarHBondContact O-N 3.22Å; H147-N150 PolarHBondContact NE2-ND2 3.18Å; H147-N150 VanDerWaalsContact NE2-ND2 3.14Å; H147-N150 PolarHBondContact NE2-OD1 2.91Å; H147-N150 PolarHBondContact O-N 3.16Å; H147-Y211 HydrophobicContact CB-CD1 4.37Å; H147-Y211 HydrophobicContact CB-CG 4.05Å; H147-Y211 AromaticContact CD2-CD2 3.99Å; H147-Y211 AromaticContact CE1-CD2 3.12Å; H147-Y211 WeakPolarHBondContact CE1-CD2 3.37Å; H147-Y211 AromaticContact CE1-CE2 3.36Å; H147-Y211 WeakPolarHBondContact CE1-CE2 3.47Å; H147-Y211 AromaticContact CE1-CG 3.67Å; H147-Y211 VanDerWaalsContact CG-CB 3.41Å; H147-Y211 AromaticContact CG-CD2 3.8Å; H147-Y211 AromaticContact CG-CG 3.55Å; H147-Y211 AromaticContact ND1-CD1 3.61Å; H147-Y211 AromaticContact ND1-CD2 3.22Å; H147-Y211 WeakPolarHBondContact ND1-CD2 3.43Å; H147-Y211 AromaticContact ND1-CE1 3.96Å; H147-Y211 AromaticContact ND1-CE2 3.6Å; H147-Y211 AromaticContact ND1-CG 3.23Å; H147-Y211 AromaticContact ND1-CZ 3.96Å; H147-Y211 AromaticContact NE2-CD2 3.59Å; H147-W214 HydrophobicContact CB-CB 4.18Å; H147-W214 HydrophobicContact CB-CG 4.36Å
148P90.2Very high80.7Confident0 Ų040.5 Ų40.50%022%0.223CC..G310 helixtrans-57-24.1-175.6-29.236.9000115.6L104 D105 I108 N150 I151 W214 V236L104-P148 HydrophobicContact CB-CB 4.02Å; L104-P148 VanDerWaalsContact CB-O 3.32Å; L104-P148 WeakPolarHBondContact CB-O 3.44Å; L104-P148 HydrophobicContact CD2-CB 4.26Å; L104-P148 HydrophobicContact CG-CB 4.18Å; L104-P148 PolarHBondContact N-O 3.15Å; D105-P148 HydrophobicContact CB-CB 4.17Å; D105-P148 PolarHBondContact N-O 2.83Å; I108-P148 HydrophobicContact CD1-CB 3.82Å; I108-P148 HydrophobicContact CD1-CG 3.83Å; P148-N150 VanDerWaalsContact C-N 3.27Å; P148-N150 PolarHBondContact O-N 3.02Å; P148-I151 PolarHBondContact O-N 3.44Å; P148-W214 VanDerWaalsContact CD-CD2 3.46Å; P148-W214 HydrophobicContact CG-CD2 3.65Å; P148-W214 HydrophobicContact CG-CE3 3.6Å; P148-W214 HydrophobicContact CG-CG 4.38Å; P148-W214 HydrophobicContact CG-CH2 3.82Å; P148-W214 HydrophobicContact CG-CZ2 3.87Å; P148-W214 HydrophobicContact CG-CZ3 3.68Å; P148-V236 HydrophobicContact CG-CG2 4.3Å
149G88Confident81.1Confident16 Ų1634.3 Ų34.317%0.16520%0.196CC..G310 helixtrans-70.5-20.3176.300000114.4H147H147-G149 PolarHBondContact ND1-N 2.94Å; H147-G149 VanDerWaalsContact ND1-N 3.15Å; H147-G149 PolarHBondContact O-N 3.22Å
150N88.1Confident81.6Confident10 Ų1032.3 Ų32.35%0.05318%0.18CC..G310 helixtrans-100.7-0.9-179.8-71.5-7.3000112.9H147 P148 M160 T161 D162H147-N150 PolarHBondContact NE2-ND2 3.18Å; H147-N150 VanDerWaalsContact NE2-ND2 3.14Å; H147-N150 PolarHBondContact NE2-OD1 2.91Å; H147-N150 PolarHBondContact O-N 3.16Å; P148-N150 VanDerWaalsContact C-N 3.27Å; P148-N150 PolarHBondContact O-N 3.02Å; N150-M160 CarbonylContact O-C 3.54Å; N150-M160 WeakPolarHBondContact O-CA 3.3Å; N150-T161 WeakPolarHBondContact CB-O 3.39Å; N150-T161 PolarHBondContact O-N 3.12Å; N150-D162 WeakPolarHBondContact ND2-CB 3.47Å
151I93.1Very high82.2Confident0 Ų025.5 Ų25.50%014%0.144CC..EExtended strand (participates in β ladder)trans-106.7134.3177.3-65.4159.7000108.1S103 L104 M125 V129 F146 P148 F158 M160S103-I151 CarbonylContact C-O 3.56Å; S103-I151 VanDerWaalsContact CA-O 3.25Å; S103-I151 WeakPolarHBondContact CA-O 3.46Å; L104-I151 HydrophobicContact CB-CB 3.93Å; L104-I151 HydrophobicContact CB-CG2 4.02Å; L104-I151 HydrophobicContact CD2-CB 4.25Å; L104-I151 HydrophobicContact CD2-CD1 4.03Å; L104-I151 HydrophobicContact CD2-CG2 4.11Å; L104-I151 PolarHBondContact N-O 3.06Å; M125-I151 HydrophobicContact CE-CD1 3.6Å; V129-I151 HydrophobicContact CG2-CD1 4.44Å; F146-I151 HydrophobicContact CD2-CD1 3.9Å; F146-I151 HydrophobicContact CE2-CD1 4.42Å; P148-I151 PolarHBondContact O-N 3.44Å; I151-F158 HydrophobicContact CG2-CD2 4.29Å; I151-F158 HydrophobicContact CG2-CE2 3.55Å; I151-F158 HydrophobicContact CG2-CZ 4.17Å; I151-M160 HydrophobicContact CD1-CE 4.3Å; I151-M160 HydrophobicContact CG1-CE 3.89Å
152F93.2Very high82.6Confident36 Ų3625 Ų2516%0.15814%0.14CC..EExtended strand (participates in β ladder)trans-126.4126.1179.1-64.2-96.7000108.7I99 L101 P102 F158 F159 T161I99-F152 HydrophobicContact CB-CD1 4.42Å; I99-F152 HydrophobicContact CB-CG 4.38Å; I99-F152 HydrophobicContact CD1-CB 4.47Å; I99-F152 HydrophobicContact CD1-CD2 3.72Å; I99-F152 HydrophobicContact CD1-CE2 4.13Å; I99-F152 HydrophobicContact CD1-CG 4.07Å; I99-F152 HydrophobicContact CG2-CB 3.7Å; I99-F152 HydrophobicContact CG2-CD1 4.02Å; I99-F152 HydrophobicContact CG2-CG 3.86Å; L101-F152 HydrophobicContact CB-CB 4.13Å; L101-F152 WeakPolarHBondContact O-CD1 3.5Å; P102-F152 WeakPolarHBondContact O-CA 3.33Å; F152-F158 CarbonylContact O-C 3.5Å; F152-F158 WeakPolarHBondContact O-CA 3.21Å; F152-F159 HydrophobicContact CB-CB 4.31Å; F152-F159 PolarHBondContact N-O 3.33Å; F152-F159 PolarHBondContact O-N 3Å; F152-T161 HydrophobicContact CD2-CG2 3.97Å; F152-T161 HydrophobicContact CE2-CG2 3.67Å
153L90.5Very high83.2Confident1 Ų123.1 Ų23.11%0.00512%0.118CC..EExtended strand (participates in β ladder)trans-147.3139.5-166.6176.764.8000111.8P102 L104 I107 L121 M125 F158P102-L153 WeakPolarHBondContact CG-O 3.44Å; P102-L153 PolarHBondContact O-N 3.21Å; P102-L153 VanDerWaalsContact O-N 3.12Å; L104-L153 HydrophobicContact CD1-CD2 4.36Å; I107-L153 HydrophobicContact CD1-CB 4.18Å; I107-L153 WeakPolarHBondContact CD1-O 3.29Å; L121-L153 HydrophobicContact CD1-CD1 3.72Å; L121-L153 HydrophobicContact CD1-CD2 4.01Å; L121-L153 HydrophobicContact CD1-CG 3.74Å; L121-L153 HydrophobicContact CD2-CD2 4.28Å; L121-L153 HydrophobicContact CG-CD1 4.4Å; L121-L153 HydrophobicContact CG-CD2 3.79Å; L121-L153 HydrophobicContact CG-CG 4.08Å; M125-L153 HydrophobicContact CB-CD2 3.84Å; M125-L153 HydrophobicContact CG-CD2 4.13Å; L153-F158 HydrophobicContact CB-CD2 4.39Å; L153-F158 HydrophobicContact CD1-CB 4.13Å; L153-F158 HydrophobicContact CD1-CD2 3.87Å
154S85.1Confident83.4Confident24 Ų2422.8 Ų22.817%0.16811%0.114CC..EExtended strand (participates in β ladder)trans-158.5-178165.670.70000110.4L101 R124 K156 G157L101-S154 WeakPolarHBondContact CD2-OG 3.44Å; R124-S154 PolarHBondContact NH1-O 3.28Å; S154-K156 PolarHBondContact O-N 3.27Å; S154-K156 WeakPolarHBondContact OG-CB 3.34Å; S154-K156 PolarHBondContact OG-N 2.87Å; S154-G157 PolarHBondContact N-O 2.9Å; S154-G157 PolarHBondContact O-N 3.45Å
155D76.1Confident83Confident111 Ų11123.1 Ų23.159%0.59412%0.119SC*.THydrogen-bonded Turntrans-60.5-24.2169.5-54.8-31.6000112.7R124R124-D155 PolarHBondContact NH1-O 3.18Å
156K72.9Confident82.2Confident186 Ų18623.9 Ų23.981%0.80912%0.124SC*.THydrogen-bonded Turntrans-83.5-18.8-179.8-59.2-178.8-179.9177.50113.7L101 S154L101-K156 HydrophobicContact CD2-CB 4.45Å; S154-K156 PolarHBondContact O-N 3.27Å; S154-K156 WeakPolarHBondContact OG-CB 3.34Å; S154-K156 PolarHBondContact OG-N 2.87Å
157G80.5Confident80.9Confident2 Ų226 Ų262%0.02114%0.136CC..EExtended strand (participates in β ladder)trans167179-178.700000115.3L101 S154L101-G157 WeakPolarHBondContact CD1-O 3.48Å; S154-G157 PolarHBondContact N-O 2.9Å; S154-G157 PolarHBondContact O-N 3.45Å
158F88.4Confident79.6Confident0 Ų025.6 Ų25.60%013%0.134CC..EExtended strand (participates in β ladder)trans-136139.4178.5173.2-85.4000109.4Y72 M125 S128 V129 I151 F152 L153 M160Y72-F158 AromaticContact CD1-CD1 3.98Å; Y72-F158 HydrophobicContact CD1-CD1 3.98Å; Y72-F158 WeakPolarHBondContact CD1-O 3.17Å; Y72-F158 AromaticContact CD2-CD1 3.9Å; Y72-F158 HydrophobicContact CD2-CD1 3.9Å; Y72-F158 HydrophobicContact CD2-CE1 4.2Å; Y72-F158 AromaticContact CG-CD1 3.59Å; Y72-F158 HydrophobicContact CG-CD1 3.59Å; Y72-F158 HydrophobicContact CG-CE1 4.12Å; M125-F158 HydrophobicContact CG-CE2 4.34Å; S128-F158 VanDerWaalsContact CB-CE1 3.44Å; S128-F158 VanDerWaalsContact CB-CG 3.49Å; V129-F158 HydrophobicContact CG2-CE2 3.98Å; V129-F158 HydrophobicContact CG2-CZ 3.57Å; I151-F158 HydrophobicContact CG2-CD2 4.29Å; I151-F158 HydrophobicContact CG2-CE2 3.55Å; I151-F158 HydrophobicContact CG2-CZ 4.17Å; F152-F158 CarbonylContact O-C 3.5Å; F152-F158 WeakPolarHBondContact O-CA 3.21Å; L153-F158 HydrophobicContact CB-CD2 4.39Å; L153-F158 HydrophobicContact CD1-CB 4.13Å; L153-F158 HydrophobicContact CD1-CD2 3.87Å; F158-M160 HydrophobicContact CE1-CB 4.31Å; F158-M160 HydrophobicContact CZ-CB 4.46Å; F158-M160 HydrophobicContact CZ-CE 4.48Å
159F90.8Very high77.8Confident42 Ų4226 Ų2618%0.18414%0.136CC..EExtended strand (participates in β ladder)trans-141.5149.8169.2-64.3-83.7000111Y72 P74 I99 L101 F152 K323Y72-F159 CarbonylContact O-C 3.55Å; Y72-F159 WeakPolarHBondContact O-CA 3.22Å; P74-F159 HydrophobicContact CG-CD1 4.32Å; I99-F159 HydrophobicContact CD1-CB 3.52Å; I99-F159 HydrophobicContact CD1-CG 4.1Å; I99-F159 HydrophobicContact CG1-CB 4.03Å; I99-F159 HydrophobicContact CG1-CD2 4.23Å; I99-F159 HydrophobicContact CG1-CG 4.05Å; I99-F159 HydrophobicContact CG2-CB 4.25Å; I99-F159 HydrophobicContact CG2-CD2 3.7Å; I99-F159 HydrophobicContact CG2-CE2 4.4Å; I99-F159 HydrophobicContact CG2-CG 4.24Å; L101-F159 HydrophobicContact CD1-CD2 3.76Å; L101-F159 HydrophobicContact CD1-CE2 4.09Å; F152-F159 HydrophobicContact CB-CB 4.31Å; F152-F159 PolarHBondContact N-O 3.33Å; F152-F159 PolarHBondContact O-N 3Å; F159-K323 VanDerWaalsContact CZ-NZ 3.31Å
160M90.5Very high75.9Confident0 Ų025.9 Ų25.90%013%0.132CC..EExtended strand (participates in β ladder)trans-120.3138.1167.6-172.2178.1-8000108.5Y72 P74 V129 V132 I144 F146 N150 I151 F158 I163Y72-M160 PolarHBondContact O-N 3.28Å; P74-M160 VanDerWaalsContact CD-O 3.25Å; P74-M160 WeakPolarHBondContact CD-O 3.33Å; V129-M160 HydrophobicContact CB-CE 4.2Å; V129-M160 HydrophobicContact CG1-CE 3.82Å; V129-M160 HydrophobicContact CG2-CE 3.73Å; V132-M160 HydrophobicContact CB-SD 4.5Å; V132-M160 HydrophobicContact CG1-SD 3.91Å; I144-M160 HydrophobicContact CD1-SD 4.01Å; F146-M160 HydrophobicContact CB-CE 4.15Å; F146-M160 HydrophobicContact CB-SD 4.21Å; F146-M160 HydrophobicContact CD2-CE 4.03Å; F146-M160 HydrophobicContact CG-CE 4.14Å; N150-M160 CarbonylContact O-C 3.54Å; N150-M160 WeakPolarHBondContact O-CA 3.3Å; I151-M160 HydrophobicContact CD1-CE 4.3Å; I151-M160 HydrophobicContact CG1-CE 3.89Å; F158-M160 HydrophobicContact CE1-CB 4.31Å; F158-M160 HydrophobicContact CZ-CB 4.46Å; F158-M160 HydrophobicContact CZ-CE 4.48Å; M160-I163 HydrophobicContact CB-CG2 4.3Å; M160-I163 HydrophobicContact CG-CG2 3.6Å; M160-I163 HydrophobicContact SD-CG2 3.59Å; M160-I163 VanDerWaalsContact SD-CG2 3.59Å
161T88.5Confident74.3Confident4 Ų427.6 Ų27.63%0.02514%0.138CC..  trans-120.1173.5176.467.60000110.7P74 R96 I99 N150 F152 I163P74-T161 HydrophobicContact CG-CG2 4.25Å; R96-T161 VanDerWaalsContact CZ-CG2 3.49Å; R96-T161 VanDerWaalsContact NH2-CB 3.27Å; R96-T161 PolarHBondContact NH2-OG1 3.31Å; I99-T161 HydrophobicContact CD1-CG2 3.15Å; N150-T161 WeakPolarHBondContact CB-O 3.39Å; N150-T161 PolarHBondContact O-N 3.12Å; F152-T161 HydrophobicContact CD2-CG2 3.97Å; F152-T161 HydrophobicContact CE2-CG2 3.67Å; T161-I163 PolarHBondContact O-N 3.21Å; T161-I163 VanDerWaalsContact O-N 3.13Å
162D81.4Confident72Confident7 Ų728.1 Ų28.14%0.03714%0.142CC..  trans57.135.8169.2-62.922.8000112.2K45 R96 N150 W164K45-D162 IonicContact NZ-OD2 3.66Å; K45-D162 PolarHBondContact NZ-OD2 3.39Å; R96-D162 IonicContact CZ-OD1 2.72Å; R96-D162 IonicContact NE-OD1 2.71Å; R96-D162 IonicContact NH2-OD1 3.78Å; R96-D162 PolarHBondContact NH2-OD1 3.29Å; N150-D162 WeakPolarHBondContact ND2-CB 3.47Å; D162-W164 VanDerWaalsContact C-CD2 3.46Å; D162-W164 HydrophobicContact CB-CD2 4.21Å; D162-W164 HydrophobicContact CB-CH2 3.94Å; D162-W164 HydrophobicContact CB-CZ2 3.27Å; D162-W164 VanDerWaalsContact O-CD1 3.26Å; D162-W164 PolarHBondContact O-N 2.91Å; D162-W164 PolarHBondContact O-NE1 3.4Å; D162-W164 VanDerWaalsContact OD1-CH2 3.27Å; D162-W164 WeakPolarHBondContact OD1-CH2 3.49Å; D162-W164 VanDerWaalsContact OD1-CZ2 3.23Å; D162-W164 WeakPolarHBondContact OD1-CZ2 3.44Å; D162-W164 WeakPolarHBondContact OD2-CZ2 3.24Å
163I78Confident69.6Low11 Ų1131.3 Ų31.36%0.05615%0.153CC..  trans-80.155.8179.756.4133.7000111.7F68 V73 V132 L136 I144 M160 T161F68-I163 HydrophobicContact CD1-CD1 3.65Å; F68-I163 HydrophobicContact CE1-CD1 3.77Å; V73-I163 HydrophobicContact CB-CD1 4.35Å; V73-I163 HydrophobicContact CG1-CD1 3.56Å; V73-I163 HydrophobicContact CG1-CG1 3.61Å; V73-I163 HydrophobicContact CG2-CD1 4.06Å; V73-I163 HydrophobicContact CG2-CG1 4.35Å; V73-I163 HydrophobicContact CG2-CG2 4.31Å; V132-I163 HydrophobicContact CG1-CG2 4.27Å; L136-I163 HydrophobicContact CD1-CB 4.18Å; L136-I163 HydrophobicContact CD1-CD1 4.13Å; L136-I163 HydrophobicContact CD2-CD1 3.69Å; L136-I163 HydrophobicContact CG-CD1 4.43Å; I144-I163 HydrophobicContact CG2-CB 4.42Å; M160-I163 HydrophobicContact CB-CG2 4.3Å; M160-I163 HydrophobicContact CG-CG2 3.6Å; M160-I163 HydrophobicContact SD-CG2 3.59Å; M160-I163 VanDerWaalsContact SD-CG2 3.59Å; T161-I163 PolarHBondContact O-N 3.21Å; T161-I163 VanDerWaalsContact O-N 3.13Å
164W71.9Confident67.3Low7 Ų734 Ų343%0.02718%0.181CC..  trans-102.2157.6178.712.986.3000111.2F62 I65 I76 V94 D162 L168F62-W164 HydrophobicContact CD1-CE3 4.38Å; F62-W164 HydrophobicContact CE1-CD2 4.02Å; F62-W164 AromaticContact CE1-CE3 3.54Å; F62-W164 HydrophobicContact CE1-CE3 3.54Å; F62-W164 HydrophobicContact CE1-CH2 4.4Å; F62-W164 AromaticContact CE1-CZ3 3.77Å; F62-W164 HydrophobicContact CE1-CZ3 3.77Å; F62-W164 HydrophobicContact CZ-CE3 4.43Å; I65-W164 HydrophobicContact CD1-CB 3.97Å; I76-W164 HydrophobicContact CD1-CZ3 4.48Å; V94-W164 HydrophobicContact CG2-CH2 4.24Å; D162-W164 VanDerWaalsContact C-CD2 3.46Å; D162-W164 HydrophobicContact CB-CD2 4.21Å; D162-W164 HydrophobicContact CB-CH2 3.94Å; D162-W164 HydrophobicContact CB-CZ2 3.27Å; D162-W164 VanDerWaalsContact O-CD1 3.26Å; D162-W164 PolarHBondContact O-N 2.91Å; D162-W164 PolarHBondContact O-NE1 3.4Å; D162-W164 VanDerWaalsContact OD1-CH2 3.27Å; D162-W164 WeakPolarHBondContact OD1-CH2 3.49Å; D162-W164 VanDerWaalsContact OD1-CZ2 3.23Å; D162-W164 WeakPolarHBondContact OD1-CZ2 3.44Å; D162-W164 WeakPolarHBondContact OD2-CZ2 3.24Å; W164-L168 HydrophobicContact CB-CB 4.41Å; W164-L168 HydrophobicContact CB-CD2 3.63Å; W164-L168 HydrophobicContact CD2-CD2 4.19Å; W164-L168 HydrophobicContact CG-CD2 3.56Å
165G63.4Low65.2Low12 Ų1233.6 Ų33.612%0.12418%0.177CC..  trans-66.5161.8-176.200000112.9E61 N167 L168E61-G165 PolarHBondContact OE1-N 2.77Å; G165-N167 PolarHBondContact O-N 3.39Å; G165-L168 PolarHBondContact O-N 3.4Å
166P52.8Low63.2Low18 Ų1832.1 Ų32.112%0.11717%0.169CC..Hα-helixtrans-60.7-24174.725.8-36.7000112.5S143 L168 M169 N170 F224S143-P166 WeakPolarHBondContact O-CD 3.26Å; P166-L168 VanDerWaalsContact C-N 3.28Å; P166-L168 PolarHBondContact O-N 3.21Å; P166-M169 CarbonylContact O-C 3.37Å; P166-M169 WeakPolarHBondContact O-CA 2.89Å; P166-M169 WeakPolarHBondContact O-CB 2.99Å; P166-M169 PolarHBondContact O-N 3.04Å; P166-N170 PolarHBondContact O-N 3.36Å; P166-F224 HydrophobicContact CB-CB 3.82Å; P166-F224 HydrophobicContact CB-CD1 4.32Å; P166-F224 HydrophobicContact CB-CD2 3.34Å; P166-F224 HydrophobicContact CB-CE2 3.92Å; P166-F224 HydrophobicContact CB-CG 3.58Å; P166-F224 HydrophobicContact CG-CB 3.85Å; P166-F224 HydrophobicContact CG-CD2 4.24Å; P166-F224 HydrophobicContact CG-CG 4.19Å
167N51.4Low61.5Low48 Ų4825.3 Ų25.326%0.25714%0.142SC..Hα-helixtrans-54.7-48.1175.3-57.8-3.4000110.1G165 M169 N170 Y171 F182G165-N167 PolarHBondContact O-N 3.39Å; N167-M169 VanDerWaalsContact C-N 3.26Å; N167-M169 PolarHBondContact O-N 3.36Å; N167-N170 PolarHBondContact O-N 3.49Å; N167-N170 VanDerWaalsContact O-N 3.13Å; N167-Y171 HydrophobicContact CB-CE2 4.5Å; N167-Y171 WeakPolarHBondContact O-CD2 3.48Å; N167-Y171 PolarHBondContact O-N 2.98Å; N167-F182 HydrophobicContact CB-CE1 4.46Å; N167-F182 HydrophobicContact CB-CZ 4.23Å; N167-F182 WeakPolarHBondContact ND2-CE1 3.4Å; N167-F182 WeakPolarHBondContact OD1-CE1 3.26Å; N167-F182 WeakPolarHBondContact OD1-CZ 3.47Å
168L56Low59.2Low3 Ų333.8 Ų33.82%0.01617%0.174CC..Hα-helixtrans-61.2-33.7175.3-176.751.6000113L58 F62 W164 G165 P166 Y171 A172L58-L168 HydrophobicContact CD1-CD1 3.2Å; L58-L168 HydrophobicContact CD1-CD2 3.67Å; L58-L168 HydrophobicContact CD1-CG 3.96Å; L58-L168 HydrophobicContact CD2-CD1 3.58Å; L58-L168 HydrophobicContact CG-CD1 3.94Å; F62-L168 HydrophobicContact CE1-CD2 4.18Å; F62-L168 HydrophobicContact CZ-CD2 3.77Å; W164-L168 HydrophobicContact CB-CB 4.41Å; W164-L168 HydrophobicContact CB-CD2 3.63Å; W164-L168 HydrophobicContact CD2-CD2 4.19Å; W164-L168 HydrophobicContact CG-CD2 3.56Å; G165-L168 PolarHBondContact O-N 3.4Å; P166-L168 VanDerWaalsContact C-N 3.28Å; P166-L168 PolarHBondContact O-N 3.21Å; L168-Y171 PolarHBondContact O-N 2.79Å; L168-A172 PolarHBondContact O-N 2.81Å
169M52.4Low56.7Low7 Ų738.2 Ų38.23%0.03420%0.201CC..Hα-helixtrans-70.8-34176.5-62.3-53.989.500112.6Q27 Y145 P166 N167 Y171Q27-M169 HydrophobicContact CG-CE 3.74Å; Q27-M169 HydrophobicContact CG-SD 4.08Å; Q27-M169 PolarHBondContact NE2-SD 3.36Å; Y145-M169 HydrophobicContact CD1-CG 3.99Å; Y145-M169 HydrophobicContact CD1-SD 3.53Å; Y145-M169 VanDerWaalsContact CD1-SD 3.53Å; Y145-M169 HydrophobicContact CD2-CG 4.26Å; Y145-M169 HydrophobicContact CE1-SD 4.09Å; Y145-M169 HydrophobicContact CG-CG 3.69Å; Y145-M169 HydrophobicContact CG-SD 3.91Å; P166-M169 CarbonylContact O-C 3.37Å; P166-M169 WeakPolarHBondContact O-CA 2.89Å; P166-M169 WeakPolarHBondContact O-CB 2.99Å; P166-M169 PolarHBondContact O-N 3.04Å; N167-M169 VanDerWaalsContact C-N 3.26Å; N167-M169 PolarHBondContact O-N 3.36Å; M169-Y171 VanDerWaalsContact C-N 3.31Å
170N49.8Very low54.2Low15 Ų1541.8 Ų41.88%0.0822%0.218CC..Hα-helixtrans-73.8-21.1177.2-66.6-13.7000112.4P166 N167 V175 I177 F222P166-N170 PolarHBondContact O-N 3.36Å; N167-N170 PolarHBondContact O-N 3.49Å; N167-N170 VanDerWaalsContact O-N 3.13Å; N170-V175 VanDerWaalsContact O-CB 3.3Å; N170-V175 WeakPolarHBondContact O-CB 3.44Å; N170-I177 HydrophobicContact CB-CD1 4.17Å; N170-I177 WeakPolarHBondContact OD1-CD1 3.38Å; N170-F222 WeakPolarHBondContact OD1-CD1 3.4Å
171Y54.5Low51.6Low46 Ų4644 Ų4418%0.1823%0.233CC..Hα-helixtrans-100.7-23.2-178.7-68.3-69.8000114.7H54 N167 L168 M169 R173H54-Y171 AromaticContact CD2-CG 3.93Å; H54-Y171 WeakPolarHBondContact NE2-CB 3.48Å; H54-Y171 AromaticContact NE2-CG 3.94Å; N167-Y171 HydrophobicContact CB-CE2 4.5Å; N167-Y171 WeakPolarHBondContact O-CD2 3.48Å; N167-Y171 PolarHBondContact O-N 2.98Å; L168-Y171 PolarHBondContact O-N 2.79Å; M169-Y171 VanDerWaalsContact C-N 3.31Å; Y171-R173 PolarHBondContact O-N 3.4Å; Y171-R173 VanDerWaalsContact O-N 3.13Å
172A44.3Very low49.3Very low11 Ų1146.1 Ų46.19%0.09124%0.243CC..SBendtrans-78.699.1179.700000112.2L168L168-A172 PolarHBondContact O-N 2.81Å
173R43.4Very low47.2Very low102 Ų10251 Ų5139%0.38527%0.265SS..SBendtrans67.882.5175.3-62.8-168.7171.1124.9-1.8115.8G25 C26 E48 Y171G25-R173 PolarHBondContact O-NH1 3.29Å; G25-R173 VanDerWaalsContact O-NH1 3.13Å; C26-R173 PolarHBondContact O-NH1 3.01Å; E48-R173 IonicContact OE2-CZ 3.22Å; E48-R173 IonicContact OE2-NE 2.76Å; E48-R173 IonicContact OE2-NH2 2.66Å; E48-R173 PolarHBondContact OE2-NH2 3.3Å; Y171-R173 PolarHBondContact O-N 3.4Å; Y171-R173 VanDerWaalsContact O-N 3.13Å
174G40.3Very low45.3Very low58 Ų5857.2 Ų57.260%0.59829%0.289SS*.SBendtrans79.930.4151.300000116.2
175V41.3Very low43.9Very low15 Ų1562 Ų629%0.09131%0.314CS..  trans-105.995.5174.2178.80000108.4N170 I177 F222N170-V175 VanDerWaalsContact O-CB 3.3Å; N170-V175 WeakPolarHBondContact O-CB 3.44Å; V175-I177 HydrophobicContact CG1-CD1 3.25Å; V175-I177 HydrophobicContact CG1-CG1 3.67Å; V175-I177 PolarHBondContact O-N 3.5Å; V175-I177 VanDerWaalsContact O-N 3.09Å; V175-F222 HydrophobicContact CG1-CD1 4.31Å; V175-F222 HydrophobicContact CG1-CE1 3.54Å; V175-F222 HydrophobicContact CG1-CE2 4.1Å; V175-F222 HydrophobicContact CG1-CZ 3.41Å; V175-F222 VanDerWaalsContact CG1-CZ 3.41Å; V175-F222 HydrophobicContact CG2-CE1 4.39Å; V175-F222 HydrophobicContact CG2-CZ 4.28Å
176D35.6Very low42.9Very low80 Ų8069 Ų6943%0.42835%0.345SS..  trans-73.396.3168.6-63.5-56.6000109.3L203D176-L203 HydrophobicContact CB-CD1 4.06Å; D176-L203 WeakPolarHBondContact OD2-CD1 3.31Å; D176-L203 WeakPolarHBondContact OD2-CD2 3.46Å
177I35.5Very low42.4Very low44 Ų4471.1 Ų71.123%0.22636%0.355CS..  trans-121.4110164.2-63.5157.5000107.1N170 V175 F222N170-I177 HydrophobicContact CB-CD1 4.17Å; N170-I177 WeakPolarHBondContact OD1-CD1 3.38Å; V175-I177 HydrophobicContact CG1-CD1 3.25Å; V175-I177 HydrophobicContact CG1-CG1 3.67Å; V175-I177 PolarHBondContact O-N 3.5Å; V175-I177 VanDerWaalsContact O-N 3.09Å; I177-F222 HydrophobicContact CD1-CB 3.49Å; I177-F222 VanDerWaalsContact CD1-CB 3.49Å; I177-F222 HydrophobicContact CD1-CD1 3.33Å; I177-F222 HydrophobicContact CD1-CD2 3.28Å; I177-F222 HydrophobicContact CD1-CE1 3.72Å; I177-F222 HydrophobicContact CD1-CE2 3.69Å; I177-F222 HydrophobicContact CD1-CG 3.07Å; I177-F222 HydrophobicContact CD1-CZ 3.89Å; I177-F222 HydrophobicContact CG1-CD2 4.06Å; I177-F222 HydrophobicContact CG1-CE2 4.35Å; I177-F222 HydrophobicContact CG1-CG 4.25Å
178Y34.1Very low42.4Very low180 Ų18073.3 Ų73.371%0.70637%0.373SS*.  trans22103.2155.4-69.2-89.4000115.7Q180Y178-Q180 PolarHBondContact O-N 3.2Å
179V35.8Very low42.5Very low92 Ų9280.1 Ų80.156%0.55841%0.409SS*.G310 helixtrans-56.8-7.1169.81760000113S181V179-S181 PolarHBondContact O-N 3.12Å
180Q36.4Very low42.3Very low118 Ų11882.8 Ų82.855%0.55142%0.423SS*.G310 helixtrans-78.5-16.8-173.7-78.9-170.8-38.100117Y178 A195Y178-Q180 PolarHBondContact O-N 3.2Å; Q180-A195 VanDerWaalsContact NE2-CB 3.26Å
181S36.5Very low42.3Very low45 Ų4587.1 Ų87.132%0.31545%0.454SS..G310 helixtrans-87.9-3.4-173.168.40000116.2V179 Y184V179-S181 PolarHBondContact O-N 3.12Å; S181-Y184 WeakPolarHBondContact O-CE1 3.47Å; S181-Y184 PolarHBondContact O-OH 3.48Å
182F40.9Very low41.9Very low50 Ų5088.4 Ų88.422%0.21948%0.482CS..THydrogen-bonded Turntrans-119.4-23.5-171.1-65.1-64.1000115.7N167 Y184 I185N167-F182 HydrophobicContact CB-CE1 4.46Å; N167-F182 HydrophobicContact CB-CZ 4.23Å; N167-F182 WeakPolarHBondContact ND2-CE1 3.4Å; N167-F182 WeakPolarHBondContact OD1-CE1 3.26Å; N167-F182 WeakPolarHBondContact OD1-CZ 3.47Å; F182-Y184 VanDerWaalsContact C-N 3.32Å; F182-Y184 PolarHBondContact O-N 3.34Å; F182-I185 HydrophobicContact CD1-CD1 4.19Å; F182-I185 PolarHBondContact O-N 3.31Å
183E36.7Very low41.8Very low109 Ų10995.2 Ų95.251%0.50951%0.512SS..Hα-helixtrans-67.2-32.2-177.2-70-179.4168.600112.5I185 M186 N187 L190E183-I185 VanDerWaalsContact C-N 3.31Å; E183-I185 PolarHBondContact O-N 3.38Å; E183-M186 PolarHBondContact O-N 3.21Å; E183-N187 PolarHBondContact O-N 3.38Å; E183-L190 HydrophobicContact CB-CD1 4.07Å
184Y39.2Very low41.4Very low142 Ų14298.4 Ų98.456%0.55754%0.536SS*.Hα-helixtrans-70.6-23.9176.967.8-101.8000113.9S181 F182 M186S181-Y184 WeakPolarHBondContact O-CE1 3.47Å; S181-Y184 PolarHBondContact O-OH 3.48Å; F182-Y184 VanDerWaalsContact C-N 3.32Å; F182-Y184 PolarHBondContact O-N 3.34Å; Y184-M186 VanDerWaalsContact C-N 3.28Å
185I41.4Very low41.2Very low106 Ų10698.6 Ų98.654%0.54453%0.531SS..Hα-helixtrans-71.1-31.5177.5-62.5-177.9000110F182 E183F182-I185 HydrophobicContact CD1-CD1 4.19Å; F182-I185 PolarHBondContact O-N 3.31Å; E183-I185 VanDerWaalsContact C-N 3.31Å; E183-I185 PolarHBondContact O-N 3.38Å
186M42.9Very low40.9Very low159 Ų159105.4 Ų105.478%0.78357%0.566SS**Hα-helixtrans-101.3-20.7-174.7-64.2-61.8-146.700113.5E183 Y184E183-M186 PolarHBondContact O-N 3.21Å; Y184-M186 VanDerWaalsContact C-N 3.28Å
187N42.6Very low40.5Very low63 Ų63109.6 Ų109.634%0.33758%0.583SS.*  trans-147.9106.7175.3-167.1-6.9000112.8E183 D189 L190E183-N187 PolarHBondContact O-N 3.38Å; N187-D189 PolarHBondContact O-N 3.02Å; N187-D189 WeakPolarHBondContact OD1-CB 3.31Å; N187-D189 PolarHBondContact OD1-N 3.26Å; N187-D189 VanDerWaalsContact OD1-N 3.11Å; N187-L190 HydrophobicContact CB-CD1 4.12Å; N187-L190 HydrophobicContact CB-CG 4.39Å; N187-L190 PolarHBondContact O-N 2.82Å
188P50.8Low40.4Very low95 Ų95113.2 Ų113.262%0.61761%0.611SS**G310 helixtrans-59.3-24.4177.1-21.832.2000114.5L190 S191P188-L190 PolarHBondContact O-N 3.19Å; P188-S191 WeakPolarHBondContact O-CB 3.31Å; P188-S191 PolarHBondContact O-N 3.44Å; P188-S191 PolarHBondContact O-OG 2.85Å
189D57.3Low40.2Very low145 Ų145112.8 Ų112.878%0.77562%0.615SS**G310 helixtrans-70.8-14.3-174.7-62.3-22.9000113N187 S191N187-D189 PolarHBondContact O-N 3.02Å; N187-D189 WeakPolarHBondContact OD1-CB 3.31Å; N187-D189 PolarHBondContact OD1-N 3.26Å; N187-D189 VanDerWaalsContact OD1-N 3.11Å; D189-S191 VanDerWaalsContact C-N 3.28Å; D189-S191 PolarHBondContact O-N 3.36Å
190L50Low40.3Very low63 Ų63112.9 Ų112.933%0.3363%0.625SS.*G310 helixtrans-86.16.2177.9-64.7171.6000113.4E183 N187 P188 G192E183-L190 HydrophobicContact CB-CD1 4.07Å; N187-L190 HydrophobicContact CB-CD1 4.12Å; N187-L190 HydrophobicContact CB-CG 4.39Å; N187-L190 PolarHBondContact O-N 2.82Å; P188-L190 PolarHBondContact O-N 3.19Å; L190-G192 PolarHBondContact O-N 3.28Å
191S49.7Very low40.4Very low106 Ų106113.8 Ų113.874%0.74163%0.634SS**THydrogen-bonded Turntrans-7370.8175.457.60000112.2P188 D189P188-S191 WeakPolarHBondContact O-CB 3.31Å; P188-S191 PolarHBondContact O-N 3.44Å; P188-S191 PolarHBondContact O-OG 2.85Å; D189-S191 VanDerWaalsContact C-N 3.28Å; D189-S191 PolarHBondContact O-N 3.36Å
192G45Very low40.5Very low73 Ų73121.1 Ų121.175%0.75366%0.663SS**THydrogen-bonded Turntrans167.9-8.617600000116.7L190L190-G192 PolarHBondContact O-N 3.28Å
193E42.2Very low40.7Very low155 Ų155123.3 Ų123.372%0.72468%0.677SS**PPolyproline II helixtrans-77.1127.4179.3-66.3-169.2166.800111.7
194L35.6Very low40.9Very low169 Ų169123.7 Ų123.789%0.88569%0.689SS**PPolyproline II helixtrans-68.8133.7175.6-87.6154.8000110.3I196L194-I196 PolarHBondContact O-N 3.38Å
195A36.5Very low41Very low62 Ų62128.4 Ų128.451%0.51271%0.705SS.*PPolyproline II helixtrans-53.6126.1-177.500000112.5Q180 E197Q180-A195 VanDerWaalsContact NE2-CB 3.26Å; A195-E197 PolarHBondContact O-N 2.85Å
196I33.8Very low41.4Very low158 Ų158131 Ų13181%0.8171%0.708SS**  trans-80.4108161.8-57.9175.6000106.6L194 C198L194-I196 PolarHBondContact O-N 3.38Å; I196-C198 PolarHBondContact O-N 3.34Å; I196-C198 VanDerWaalsContact O-N 3.09Å
197E28.3Very low41.7Very low167 Ų167133.7 Ų133.778%0.7871%0.71SS**  trans-63.7105.7169.1-78.5-175.7157.200109.1A195 H199A195-E197 PolarHBondContact O-N 2.85Å; E197-H199 PolarHBondContact O-N 2.96Å
198C33Very low42.4Very low121 Ų121135.3 Ų135.382%0.81872%0.718SS**  trans-71.2120.1161.1-74.70000108.1I196 A200I196-C198 PolarHBondContact O-N 3.34Å; I196-C198 VanDerWaalsContact O-N 3.09Å; C198-A200 PolarHBondContact O-N 3.4Å
199H30.2Very low42.8Very low171 Ų171131.2 Ų131.279%0.79269%0.691SS**  trans-56.6135.4176.6-73.6-70.9000111E197 D201E197-H199 PolarHBondContact O-N 2.96Å; H199-D201 VanDerWaalsContact C-N 3.33Å; H199-D201 PolarHBondContact O-N 2.87Å
200A38.1Very low43.1Very low94 Ų94130.6 Ų130.678%0.77768%0.678SS**  trans-67.990.2174.400000109.5C198C198-A200 PolarHBondContact O-N 3.4Å
201D37.4Very low44.1Very low137 Ų137130.8 Ų130.873%0.73368%0.675SS**  trans-54.9145.2151.6-79.7-27.9000107.6H199 L203H199-D201 VanDerWaalsContact C-N 3.33Å; H199-D201 PolarHBondContact O-N 2.87Å; D201-L203 WeakPolarHBondContact O-CG 3.4Å; D201-L203 PolarHBondContact O-N 3.38Å
202E38.8Very low45.4Very low199 Ų199126 Ų12693%0.9364%0.641SS**  trans-60.583.3-179.7-70.4-175.5158.700110.4
203L45.9Very low47.3Very low96 Ų96126 Ų12650%0.50362%0.621SS.*  trans-62.8129.1-175.3-76.5164.3000109.1D176 D201 R205D176-L203 HydrophobicContact CB-CD1 4.06Å; D176-L203 WeakPolarHBondContact OD2-CD1 3.31Å; D176-L203 WeakPolarHBondContact OD2-CD2 3.46Å; D201-L203 WeakPolarHBondContact O-CG 3.4Å; D201-L203 PolarHBondContact O-N 3.38Å; L203-R205 PolarHBondContact O-N 3.01Å
204P39.4Very low49.6Very low117 Ų117118.7 Ų118.776%0.7659%0.587SS**  trans-57128.4177.521.1-29.7000109.3R206P204-R206 PolarHBondContact O-N 3.29Å; P204-R206 VanDerWaalsContact O-N 3.07Å
205R43.1Very low52.1Low241 Ų241110.8 Ų110.891%0.90955%0.546SS*.  trans-33.5112.7-175.4-72.3-179176.7176.7-1112.1L203 R207L203-R205 PolarHBondContact O-N 3.01Å; R205-R207 PolarHBondContact O-N 3.5Å
206R48.1Very low54.7Low159 Ų159107.8 Ų107.860%0.652%0.521SS*.  trans-38.3122.9176.2-66175.3174161.6-3.6111.3P204P204-R206 PolarHBondContact O-N 3.29Å; P204-R206 VanDerWaalsContact O-N 3.07Å
207R48.9Very low57.4Low216 Ų216102 Ų10282%0.81549%0.494SS*.  trans-88.1115.6165.3-73.8-171.9179.5-178.50.7108R205R205-R207 PolarHBondContact O-N 3.5Å
208L58.6Low60.3Low98 Ų9894.8 Ų94.851%0.51346%0.461SS..PPolyproline II helixtrans-57.7145.4171.8-68.2169000110.2R210 I212L208-R210 PolarHBondContact O-N 3.15Å; L208-I212 HydrophobicContact CB-CG2 3.65Å; L208-I212 HydrophobicContact CD1-CG2 4.03Å; L208-I212 HydrophobicContact CD2-CD1 4.08Å; L208-I212 HydrophobicContact CD2-CG2 4.47Å; L208-I212 HydrophobicContact CG-CG2 4.25Å
209P58.8Low62.7Low9 Ų989.1 Ų89.16%0.05842%0.422CS..PPolyproline II helixtrans-51.2138.7171.4-2633.3000111.3Y211 I212 F222P209-Y211 PolarHBondContact O-N 3.44Å; P209-I212 HydrophobicContact CG-CD1 4.24Å; P209-I212 WeakPolarHBondContact O-CB 3.21Å; P209-I212 WeakPolarHBondContact O-CG2 3.4Å; P209-I212 PolarHBondContact O-N 3.02Å; P209-I212 VanDerWaalsContact O-N 3.09Å; P209-F222 HydrophobicContact CG-CE1 4.34Å
210R62.8Low65.1Low131 Ų13184.3 Ų84.349%0.49441%0.408SS..THydrogen-bonded Turntrans-58.9128.2172.2-105.9-169.6-92.5-177-8108.8K24 G25 Y145 L208K24-R210 VanDerWaalsContact O-CZ 3.22Å; K24-R210 PolarHBondContact O-NH1 2.77Å; K24-R210 PolarHBondContact O-NH2 3.06Å; G25-R210 VanDerWaalsContact CA-NH2 3.26Å; G25-R210 PolarHBondContact O-NH2 3.38Å; Y145-R210 PolarHBondContact OH-O 2.93Å; L208-R210 PolarHBondContact O-N 3.15Å
211Y72.7Confident66.9Low67 Ų6788.8 Ų88.826%0.26340%0.404SS..THydrogen-bonded Turntrans82.66.3-176.3-53.8-81.1000115.8Y145 H147 P209 E213 W214Y145-Y211 WeakPolarHBondContact OH-CA 3.45Å; Y145-Y211 PolarHBondContact OH-O 2.93Å; H147-Y211 HydrophobicContact CB-CD1 4.37Å; H147-Y211 HydrophobicContact CB-CG 4.05Å; H147-Y211 AromaticContact CD2-CD2 3.99Å; H147-Y211 AromaticContact CE1-CD2 3.12Å; H147-Y211 WeakPolarHBondContact CE1-CD2 3.37Å; H147-Y211 AromaticContact CE1-CE2 3.36Å; H147-Y211 WeakPolarHBondContact CE1-CE2 3.47Å; H147-Y211 AromaticContact CE1-CG 3.67Å; H147-Y211 VanDerWaalsContact CG-CB 3.41Å; H147-Y211 AromaticContact CG-CD2 3.8Å; H147-Y211 AromaticContact CG-CG 3.55Å; H147-Y211 AromaticContact ND1-CD1 3.61Å; H147-Y211 AromaticContact ND1-CD2 3.22Å; H147-Y211 WeakPolarHBondContact ND1-CD2 3.43Å; H147-Y211 AromaticContact ND1-CE1 3.96Å; H147-Y211 AromaticContact ND1-CE2 3.6Å; H147-Y211 AromaticContact ND1-CG 3.23Å; H147-Y211 AromaticContact ND1-CZ 3.96Å; H147-Y211 AromaticContact NE2-CD2 3.59Å; P209-Y211 PolarHBondContact O-N 3.44Å; Y211-E213 WeakPolarHBondContact CA-OE2 3.49Å; Y211-E213 PolarHBondContact N-OE2 3.02Å; Y211-E213 PolarHBondContact O-N 3.02Å; Y211-W214 AromaticContact CD1-CD1 3.7Å; Y211-W214 AromaticContact CD1-NE1 3.75Å; Y211-W214 WeakPolarHBondContact O-CB 3.49Å; Y211-W214 PolarHBondContact O-N 3.08Å
212I77.1Confident68.6Low7 Ų783.7 Ų83.74%0.03638%0.376CS..G310 helixtrans-58.5-21.8171.7-161.4154000111.9Y145 L208 P209 W214 C215 K259Y145-I212 PolarHBondContact OH-N 3.01Å; L208-I212 HydrophobicContact CB-CG2 3.65Å; L208-I212 HydrophobicContact CD1-CG2 4.03Å; L208-I212 HydrophobicContact CD2-CD1 4.08Å; L208-I212 HydrophobicContact CD2-CG2 4.47Å; L208-I212 HydrophobicContact CG-CG2 4.25Å; P209-I212 HydrophobicContact CG-CD1 4.24Å; P209-I212 WeakPolarHBondContact O-CB 3.21Å; P209-I212 WeakPolarHBondContact O-CG2 3.4Å; P209-I212 PolarHBondContact O-N 3.02Å; P209-I212 VanDerWaalsContact O-N 3.09Å; I212-W214 PolarHBondContact O-N 3.31Å; I212-C215 WeakPolarHBondContact O-CB 3.11Å; I212-C215 PolarHBondContact O-N 3.35Å; I212-K259 PolarHBondContact O-NZ 3.02Å
213E84.7Confident70.6Confident72 Ų7278.6 Ų78.634%0.33635%0.352SS..G310 helixtrans-56.8-33.1174.8-56.590.3161.200110.9Y211 I252 V255 K259Y211-E213 WeakPolarHBondContact CA-OE2 3.49Å; Y211-E213 PolarHBondContact N-OE2 3.02Å; Y211-E213 PolarHBondContact O-N 3.02Å; E213-I252 HydrophobicContact CB-CD1 4.16Å; E213-I252 HydrophobicContact CB-CG2 4.01Å; E213-I252 HydrophobicContact CG-CG2 3.97Å; E213-V255 WeakPolarHBondContact O-CG1 3.01Å; E213-K259 WeakPolarHBondContact O-CE 3.47Å; E213-K259 PolarHBondContact O-NZ 3.19Å
214W89.4Confident72.3Confident1 Ų175.3 Ų75.30%0.00433%0.334CS..G310 helixtrans-77.9-17.1178.2-68.286.9000114.4I108 H147 P148 Y211 I212 V236 I239 E251 I252 V255I108-W214 HydrophobicContact CD1-CH2 3.86Å; I108-W214 HydrophobicContact CD1-CZ3 4.35Å; H147-W214 HydrophobicContact CB-CB 4.18Å; H147-W214 HydrophobicContact CB-CG 4.36Å; P148-W214 VanDerWaalsContact CD-CD2 3.46Å; P148-W214 HydrophobicContact CG-CD2 3.65Å; P148-W214 HydrophobicContact CG-CE3 3.6Å; P148-W214 HydrophobicContact CG-CG 4.38Å; P148-W214 HydrophobicContact CG-CH2 3.82Å; P148-W214 HydrophobicContact CG-CZ2 3.87Å; P148-W214 HydrophobicContact CG-CZ3 3.68Å; Y211-W214 AromaticContact CD1-CD1 3.7Å; Y211-W214 AromaticContact CD1-NE1 3.75Å; Y211-W214 WeakPolarHBondContact O-CB 3.49Å; Y211-W214 PolarHBondContact O-N 3.08Å; I212-W214 PolarHBondContact O-N 3.31Å; W214-V236 HydrophobicContact CE3-CG2 3.97Å; W214-V236 HydrophobicContact CZ3-CG2 4.37Å; W214-I239 HydrophobicContact CH2-CG1 4.39Å; W214-I239 HydrophobicContact CH2-CG2 4.02Å; W214-I239 HydrophobicContact CZ3-CB 4.22Å; W214-I239 HydrophobicContact CZ3-CG1 3.93Å; W214-I239 HydrophobicContact CZ3-CG2 4.13Å; W214-E251 HydrophobicContact CH2-CB 4.5Å; W214-E251 HydrophobicContact CZ2-CB 4.39Å; W214-E251 HydrophobicContact CZ2-CG 4.16Å; W214-I252 HydrophobicContact CZ2-CD1 4.28Å; W214-V255 HydrophobicContact CD2-CG2 4.14Å; W214-V255 HydrophobicContact CE3-CG2 3.81Å; W214-V255 HydrophobicContact CH2-CG2 4.02Å; W214-V255 HydrophobicContact CZ2-CG2 4.33Å; W214-V255 HydrophobicContact CZ3-CG2 3.76Å
215C88.8Confident74.5Confident3 Ų372.6 Ų72.62%0.0232%0.315CS..SBendtrans-84.8165.8-176.6-60.90000112.1Y145 I212 T219 W231 K259Y145-C215 WeakPolarHBondContact CE2-SG 3.46Å; I212-C215 WeakPolarHBondContact O-CB 3.11Å; I212-C215 PolarHBondContact O-N 3.35Å; C215-T219 HydrophobicContact CB-CG2 3.85Å; C215-T219 WeakPolarHBondContact CB-OG1 3.42Å; C215-W231 WeakPolarHBondContact O-CZ3 3.49Å; C215-K259 WeakPolarHBondContact O-CE 3.38Å; C215-K259 PolarHBondContact O-NZ 3.22Å
216A91.2Very high76.7Confident0 Ų063.1 Ų63.10%028%0.282CS..  trans-55.7153.2-179.900000113.5E218 T219 W231A216-E218 VanDerWaalsContact CB-CD 3.47Å; A216-E218 WeakPolarHBondContact CB-OE1 3.34Å; A216-E218 VanDerWaalsContact CB-OE2 3.29Å; A216-E218 WeakPolarHBondContact CB-OE2 3.49Å; A216-E218 PolarHBondContact O-N 3.02Å; A216-E218 VanDerWaalsContact O-N 3.15Å; A216-T219 HydrophobicContact CB-CG2 4.13Å; A216-T219 PolarHBondContact O-N 3.31Å; A216-T219 PolarHBondContact O-OG1 3.42Å; A216-W231 HydrophobicContact CB-CB 3.78Å; A216-W231 HydrophobicContact CB-CD2 3.95Å; A216-W231 HydrophobicContact CB-CE3 3.97Å; A216-W231 HydrophobicContact CB-CG 3.87Å
217P91.3Very high78.8Confident37 Ų3758 Ų5824%0.2427%0.265CS..G310 helixtrans-52.7-39.8-177.2-26.633.8000114T219 S220 W231 K259P217-T219 VanDerWaalsContact C-N 3.27Å; P217-T219 PolarHBondContact O-N 3.22Å; P217-S220 PolarHBondContact O-N 3.01Å; P217-S220 PolarHBondContact O-OG 3.17Å; P217-W231 HydrophobicContact CG-CZ2 4.33Å; P217-K259 HydrophobicContact CG-CG 4.34Å
218E88.2Confident80.8Confident15 Ų1547.8 Ų47.87%0.0723%0.226CC..G310 helixtrans-68.3-20.4-179.668.9-85.9-162.700113.9A216 S220 R221 E223 S228 P292 R295A216-E218 VanDerWaalsContact CB-CD 3.47Å; A216-E218 WeakPolarHBondContact CB-OE1 3.34Å; A216-E218 VanDerWaalsContact CB-OE2 3.29Å; A216-E218 WeakPolarHBondContact CB-OE2 3.49Å; A216-E218 PolarHBondContact O-N 3.02Å; A216-E218 VanDerWaalsContact O-N 3.15Å; E218-S220 PolarHBondContact O-N 3.44Å; E218-S220 VanDerWaalsContact O-N 3.14Å; E218-R221 WeakPolarHBondContact O-CB 3.35Å; E218-R221 PolarHBondContact O-N 3.34Å; E218-E223 HydrophobicContact CB-CB 4.21Å; E218-E223 HydrophobicContact CG-CB 4.14Å; E218-S228 WeakPolarHBondContact OE1-CB 3.17Å; E218-P292 HydrophobicContact CB-CG 4.38Å; E218-P292 HydrophobicContact CG-CG 4.07Å; E218-R295 IonicContact OE1-CZ 3.92Å; E218-R295 IonicContact OE1-NH1 3.25Å; E218-R295 PolarHBondContact OE1-NH1 3.18Å; E218-R295 IonicContact OE1-NH2 2.77Å; E218-R295 PolarHBondContact OE1-NH2 2.91Å; E218-R295 IonicContact OE2-CZ 3.5Å; E218-R295 IonicContact OE2-NH1 3.66Å; E218-R295 IonicContact OE2-NH2 3.46Å; E218-R295 PolarHBondContact OE2-NH2 3.39Å
219T83.1Confident82.4Confident2 Ų243.3 Ų43.31%0.01220%0.203CC..G310 helixtrans-69.1-15.3179.470.60000112.4C215 A216 P217 R221 F222 F224C215-T219 HydrophobicContact CB-CG2 3.85Å; C215-T219 WeakPolarHBondContact CB-OG1 3.42Å; A216-T219 HydrophobicContact CB-CG2 4.13Å; A216-T219 PolarHBondContact O-N 3.31Å; A216-T219 PolarHBondContact O-OG1 3.42Å; P217-T219 VanDerWaalsContact C-N 3.27Å; P217-T219 PolarHBondContact O-N 3.22Å; T219-R221 PolarHBondContact O-N 3.39Å; T219-F222 WeakPolarHBondContact O-CA 3.48Å; T219-F222 PolarHBondContact O-N 3.33Å; T219-F224 HydrophobicContact CG2-CD1 3.77Å; T219-F224 HydrophobicContact CG2-CE1 3.73Å; T219-F224 HydrophobicContact CG2-CG 4.48Å; T219-F224 HydrophobicContact CG2-CZ 4.44Å
220S80.1Confident84.1Confident70 Ų7042.9 Ų42.949%0.4920%0.2SC..G310 helixtrans-60.8-22.7168.262.80000113P217 E218P217-S220 PolarHBondContact O-N 3.01Å; P217-S220 PolarHBondContact O-OG 3.17Å; E218-S220 PolarHBondContact O-N 3.44Å; E218-S220 VanDerWaalsContact O-N 3.14Å
221R77.5Confident85.7Confident187 Ų18736.7 Ų36.771%0.70618%0.177SC*.G310 helixtrans-96.87170.2-56.2178.4-174.6167.70.9112.8E218 T219 E223E218-R221 WeakPolarHBondContact O-CB 3.35Å; E218-R221 PolarHBondContact O-N 3.34Å; T219-R221 PolarHBondContact O-N 3.39Å; R221-E223 HydrophobicContact CB-CG 4.22Å; R221-E223 WeakPolarHBondContact CD-OE1 3.38Å; R221-E223 PolarHBondContact O-N 2.98Å
222F73.1Confident86.7Confident30 Ų3033.6 Ų33.613%0.13217%0.165CC..THydrogen-bonded Turntrans62.527.3-175.4-55.6-95.2000114.4N170 V175 I177 P209 T219 F224N170-F222 WeakPolarHBondContact OD1-CD1 3.4Å; V175-F222 HydrophobicContact CG1-CD1 4.31Å; V175-F222 HydrophobicContact CG1-CE1 3.54Å; V175-F222 HydrophobicContact CG1-CE2 4.1Å; V175-F222 HydrophobicContact CG1-CZ 3.41Å; V175-F222 VanDerWaalsContact CG1-CZ 3.41Å; V175-F222 HydrophobicContact CG2-CE1 4.39Å; V175-F222 HydrophobicContact CG2-CZ 4.28Å; I177-F222 HydrophobicContact CD1-CB 3.49Å; I177-F222 VanDerWaalsContact CD1-CB 3.49Å; I177-F222 HydrophobicContact CD1-CD1 3.33Å; I177-F222 HydrophobicContact CD1-CD2 3.28Å; I177-F222 HydrophobicContact CD1-CE1 3.72Å; I177-F222 HydrophobicContact CD1-CE2 3.69Å; I177-F222 HydrophobicContact CD1-CG 3.07Å; I177-F222 HydrophobicContact CD1-CZ 3.89Å; I177-F222 HydrophobicContact CG1-CD2 4.06Å; I177-F222 HydrophobicContact CG1-CE2 4.35Å; I177-F222 HydrophobicContact CG1-CG 4.25Å; P209-F222 HydrophobicContact CG-CE1 4.34Å; T219-F222 WeakPolarHBondContact O-CA 3.48Å; T219-F222 PolarHBondContact O-N 3.33Å; F222-F224 HydrophobicContact CB-CE2 4.04Å; F222-F224 HydrophobicContact CD1-CE2 4.02Å; F222-F224 HydrophobicContact CG-CE2 4.47Å; F222-F224 WeakPolarHBondContact O-CD2 3.45Å; F222-F224 PolarHBondContact O-N 2.44Å
223E79.7Confident87.6Confident93 Ų9333.3 Ų33.344%0.43516%0.163SC..  trans-84.393.2170.1-66.2172.8-150.800109.2E218 R221E218-E223 HydrophobicContact CB-CB 4.21Å; E218-E223 HydrophobicContact CG-CB 4.14Å; R221-E223 HydrophobicContact CB-CG 4.22Å; R221-E223 WeakPolarHBondContact CD-OE1 3.38Å; R221-E223 PolarHBondContact O-N 2.98Å
224F81.5Confident88.1Confident26 Ų2629.9 Ų29.911%0.11415%0.147CC..  trans-101.5125.3176.6-63.4-88.9000110.3Y145 P166 T219 F222Y145-F224 HydrophobicContact CD2-CE1 4.07Å; P166-F224 HydrophobicContact CB-CB 3.82Å; P166-F224 HydrophobicContact CB-CD1 4.32Å; P166-F224 HydrophobicContact CB-CD2 3.34Å; P166-F224 HydrophobicContact CB-CE2 3.92Å; P166-F224 HydrophobicContact CB-CG 3.58Å; P166-F224 HydrophobicContact CG-CB 3.85Å; P166-F224 HydrophobicContact CG-CD2 4.24Å; P166-F224 HydrophobicContact CG-CG 4.19Å; T219-F224 HydrophobicContact CG2-CD1 3.77Å; T219-F224 HydrophobicContact CG2-CE1 3.73Å; T219-F224 HydrophobicContact CG2-CG 4.48Å; T219-F224 HydrophobicContact CG2-CZ 4.44Å; F222-F224 HydrophobicContact CB-CE2 4.04Å; F222-F224 HydrophobicContact CD1-CE2 4.02Å; F222-F224 HydrophobicContact CG-CE2 4.47Å; F222-F224 WeakPolarHBondContact O-CD2 3.45Å; F222-F224 PolarHBondContact O-N 2.44Å
225T86.4Confident88.3Confident60 Ų6029.8 Ų29.837%0.36815%0.147SC..  trans-144.4166.2-177.965.20000110.5S143 K227 S228 D229S143-T225 WeakPolarHBondContact OG-CA 3.22Å; S143-T225 PolarHBondContact OG-O 2.72Å; T225-K227 PolarHBondContact O-N 3.26Å; T225-K227 PolarHBondContact OG1-N 3.32Å; T225-S228 PolarHBondContact N-OG 3.49Å; T225-S228 PolarHBondContact O-N 2.95Å; T225-S228 PolarHBondContact O-OG 2.99Å; T225-S228 PolarHBondContact OG1-N 3.28Å; T225-D229 PolarHBondContact O-N 3.11Å; T225-D229 VanDerWaalsContact O-N 3.11Å
226D89Confident88.6Confident42 Ų4229.7 Ų29.723%0.22515%0.146CC..Hα-helixtrans-52.5-33.3170.8-66.4-8.2000111.8K137 S143 D229 V230 L298K137-D226 WeakPolarHBondContact CD-OD2 3.33Å; K137-D226 WeakPolarHBondContact CE-OD2 3.37Å; K137-D226 IonicContact NZ-OD2 2.92Å; K137-D226 PolarHBondContact NZ-OD2 3.03Å; S143-D226 PolarHBondContact OG-N 3.11Å; S143-D226 VanDerWaalsContact OG-N 3.13Å; D226-D229 PolarHBondContact O-N 3.03Å; D226-V230 VanDerWaalsContact O-CG2 3.29Å; D226-V230 WeakPolarHBondContact O-CG2 3.36Å; D226-V230 PolarHBondContact O-N 3.21Å; D226-L298 HydrophobicContact CB-CB 4.08Å; D226-L298 HydrophobicContact CB-CD2 4.25Å
227K93Very high88.8Confident53 Ų5329.7 Ų29.723%0.2315%0.146CC..Hα-helixtrans-69.6-37.3176.8-69.5-157.1-179.3-164.10111.7T225 D229 V230 W231 P292 S293 R295T225-K227 PolarHBondContact O-N 3.26Å; T225-K227 PolarHBondContact OG1-N 3.32Å; K227-D229 VanDerWaalsContact C-N 3.27Å; K227-D229 PolarHBondContact O-N 3.38Å; K227-V230 PolarHBondContact O-N 3.37Å; K227-W231 PolarHBondContact O-N 3.38Å; K227-P292 WeakPolarHBondContact CD-O 3.29Å; K227-P292 WeakPolarHBondContact CE-O 3.43Å; K227-P292 PolarHBondContact NZ-O 3.36Å; K227-S293 PolarHBondContact NZ-O 3.42Å; K227-R295 HydrophobicContact CD-CB 4.31Å; K227-R295 WeakPolarHBondContact CE-O 3.12Å; K227-R295 PolarHBondContact NZ-O 3.2Å; K227-R295 WeakPolarHBondContact O-CD 3.44Å; K227-R295 PolarHBondContact O-NH1 3.48Å
228S90.9Very high88.9Confident1 Ų128.1 Ų28.11%0.00714%0.136CC..Hα-helixtrans-64.6-35.2174.466.60000111.6E218 T225 W231 T232E218-S228 WeakPolarHBondContact OE1-CB 3.17Å; T225-S228 PolarHBondContact N-OG 3.49Å; T225-S228 PolarHBondContact O-N 2.95Å; T225-S228 PolarHBondContact O-OG 2.99Å; T225-S228 PolarHBondContact OG1-N 3.28Å; S228-W231 PolarHBondContact O-N 3.46Å; S228-T232 WeakPolarHBondContact O-CB 3.38Å; S228-T232 PolarHBondContact O-N 3.37Å; S228-T232 PolarHBondContact O-OG1 3.37Å
229D91.6Very high89.2Confident3 Ų327.4 Ų27.42%0.01613%0.133CC..Hα-helixtrans-67.4-42.7176.3-62.7-9.9000111.1I133 S143 I144 F146 T225 D226 K227 W231 T232 L233I133-D229 HydrophobicContact CD1-CB 4.13Å; S143-D229 WeakPolarHBondContact CA-OD2 3.31Å; S143-D229 WeakPolarHBondContact CB-OD2 3.48Å; I144-D229 HydrophobicContact CG1-CB 4.38Å; I144-D229 WeakPolarHBondContact CG1-OD2 3.34Å; I144-D229 PolarHBondContact N-OD1 2.85Å; I144-D229 PolarHBondContact N-OD2 2.98Å; I144-D229 VanDerWaalsContact O-OD1 3.06Å; F146-D229 HydrophobicContact CE1-CB 4.07Å; F146-D229 WeakPolarHBondContact CZ-O 3.3Å; T225-D229 PolarHBondContact O-N 3.11Å; T225-D229 VanDerWaalsContact O-N 3.11Å; D226-D229 PolarHBondContact O-N 3.03Å; K227-D229 VanDerWaalsContact C-N 3.27Å; K227-D229 PolarHBondContact O-N 3.38Å; D229-W231 VanDerWaalsContact C-N 3.35Å; D229-W231 PolarHBondContact O-N 3.07Å; D229-T232 PolarHBondContact O-N 2.78Å; D229-L233 PolarHBondContact O-N 2.95Å
230V94.9Very high89.7Confident1 Ų127.4 Ų27.41%0.00613%0.132CC..Hα-helixtrans-58.7-44.1173.91670000111.5D226 K227 L233 G234 M287 I296 L298 L301D226-V230 VanDerWaalsContact O-CG2 3.29Å; D226-V230 WeakPolarHBondContact O-CG2 3.36Å; D226-V230 PolarHBondContact O-N 3.21Å; K227-V230 PolarHBondContact O-N 3.37Å; V230-L233 PolarHBondContact O-N 3.32Å; V230-G234 PolarHBondContact O-N 3.35Å; V230-M287 HydrophobicContact CG1-CB 3.84Å; V230-M287 HydrophobicContact CG1-CE 4.09Å; V230-M287 HydrophobicContact CG1-CG 3.68Å; V230-M287 VanDerWaalsContact O-CE 3.23Å; V230-M287 WeakPolarHBondContact O-CE 3.37Å; V230-I296 HydrophobicContact CG1-CG2 3.94Å; V230-L298 HydrophobicContact CG2-CB 4.17Å; V230-L298 HydrophobicContact CG2-CD1 4.29Å; V230-L301 HydrophobicContact CG1-CD2 4.3Å; V230-L301 HydrophobicContact CG2-CD2 4.19Å
231W95.1Very high90.4Very high0 Ų024.3 Ų24.30%011%0.11CC..Hα-helixtrans-63.6-45.3176.4-171.5100.5000111.8C215 A216 P217 K227 S228 D229 L233 G234 C235 K259 M287 M288C215-W231 WeakPolarHBondContact O-CZ3 3.49Å; A216-W231 HydrophobicContact CB-CB 3.78Å; A216-W231 HydrophobicContact CB-CD2 3.95Å; A216-W231 HydrophobicContact CB-CE3 3.97Å; A216-W231 HydrophobicContact CB-CG 3.87Å; P217-W231 HydrophobicContact CG-CZ2 4.33Å; K227-W231 PolarHBondContact O-N 3.38Å; S228-W231 PolarHBondContact O-N 3.46Å; D229-W231 VanDerWaalsContact C-N 3.35Å; D229-W231 PolarHBondContact O-N 3.07Å; W231-L233 VanDerWaalsContact C-N 3.28Å; W231-L233 PolarHBondContact O-N 3.36Å; W231-G234 PolarHBondContact O-N 3.04Å; W231-G234 VanDerWaalsContact O-N 3.08Å; W231-C235 HydrophobicContact CE3-CB 3.87Å; W231-C235 HydrophobicContact CH2-CB 3.88Å; W231-C235 HydrophobicContact CZ3-CB 3.5Å; W231-C235 VanDerWaalsContact CZ3-CB 3.5Å; W231-C235 WeakPolarHBondContact O-CB 3.27Å; W231-C235 PolarHBondContact O-N 2.99Å; W231-K259 HydrophobicContact CH2-CD 4.35Å; W231-K259 HydrophobicContact CH2-CG 3.55Å; W231-K259 HydrophobicContact CZ2-CG 3.77Å; W231-M287 WeakPolarHBondContact CA-O 3.18Å; W231-M288 VanDerWaalsContact CD1-CA 3.49Å; W231-M288 PolarHBondContact NE1-O 3.32Å
232T93.9Very high91.1Very high3 Ų315.6 Ų15.62%0.0188%0.078CC..Hα-helixtrans-59.5-41.5179.5-56.30000110.7F146 S228 D229 C235 V236F146-T232 HydrophobicContact CD1-CG2 4.24Å; F146-T232 HydrophobicContact CD2-CG2 4.14Å; F146-T232 HydrophobicContact CE1-CG2 3.88Å; F146-T232 HydrophobicContact CE2-CG2 3.75Å; F146-T232 HydrophobicContact CG-CG2 4.4Å; F146-T232 HydrophobicContact CZ-CG2 3.64Å; F146-T232 WeakPolarHBondContact O-CG2 3.43Å; S228-T232 WeakPolarHBondContact O-CB 3.38Å; S228-T232 PolarHBondContact O-N 3.37Å; S228-T232 PolarHBondContact O-OG1 3.37Å; D229-T232 PolarHBondContact O-N 2.78Å; T232-C235 PolarHBondContact O-N 3.3Å; T232-V236 WeakPolarHBondContact O-CG2 3.33Å; T232-V236 PolarHBondContact O-N 3.3Å
233L95.4Very high92Very high0 Ų014.2 Ų14.20%07%0.071CC..Hα-helixtrans-61.5-47.3173.6178.656.2000111.3M125 F126 V129 L130 F146 D229 V230 W231 C235 V236 I237 M287M125-L233 HydrophobicContact CE-CD1 4.04Å; M125-L233 HydrophobicContact SD-CD1 3.93Å; F126-L233 HydrophobicContact CD2-CD2 4.44Å; F126-L233 HydrophobicContact CE2-CD2 4.37Å; V129-L233 HydrophobicContact CB-CD1 3.8Å; V129-L233 HydrophobicContact CG1-CD1 3.76Å; V129-L233 HydrophobicContact CG1-CD2 4.22Å; V129-L233 HydrophobicContact CG1-CG 4.42Å; V129-L233 HydrophobicContact CG2-CD1 4.15Å; L130-L233 HydrophobicContact CB-CD2 4.34Å; F146-L233 HydrophobicContact CZ-CB 3.99Å; D229-L233 PolarHBondContact O-N 2.95Å; V230-L233 PolarHBondContact O-N 3.32Å; W231-L233 VanDerWaalsContact C-N 3.28Å; W231-L233 PolarHBondContact O-N 3.36Å; L233-C235 VanDerWaalsContact C-N 3.34Å; L233-C235 PolarHBondContact O-N 3.04Å; L233-V236 PolarHBondContact O-N 3.48Å; L233-I237 HydrophobicContact CD1-CD1 4.49Å; L233-I237 HydrophobicContact CD1-CG1 3.94Å; L233-I237 HydrophobicContact CG-CG1 4.44Å; L233-I237 WeakPolarHBondContact O-CB 2.98Å; L233-I237 VanDerWaalsContact O-CG1 3.22Å; L233-I237 WeakPolarHBondContact O-CG1 3.01Å; L233-I237 PolarHBondContact O-N 3.39Å; L233-M287 HydrophobicContact CB-CE 3.88Å; L233-M287 HydrophobicContact CD2-CE 3.85Å; L233-M287 HydrophobicContact CG-CE 3.76Å
234G95.3Very high92.6Very high0 Ų013.6 Ų13.60%07%0.068CC..Hα-helixtrans-59.8-43.2178.200000112.5V230 W231 T238 M288V230-G234 PolarHBondContact O-N 3.35Å; W231-G234 PolarHBondContact O-N 3.04Å; W231-G234 VanDerWaalsContact O-N 3.08Å; G234-T238 VanDerWaalsContact O-CB 3.31Å; G234-T238 WeakPolarHBondContact O-CB 3.4Å; G234-T238 PolarHBondContact O-N 3.26Å; G234-T238 PolarHBondContact O-OG1 3.31Å; G234-M288 VanDerWaalsContact C-SD 3.59Å
235C94.8Very high93.1Very high0 Ų014.7 Ų14.70%08%0.078CC..Hα-helixtrans-61-51.4176.3179.60000111.4W231 T232 L233 I237 T238 I239W231-C235 HydrophobicContact CE3-CB 3.87Å; W231-C235 HydrophobicContact CH2-CB 3.88Å; W231-C235 HydrophobicContact CZ3-CB 3.5Å; W231-C235 VanDerWaalsContact CZ3-CB 3.5Å; W231-C235 WeakPolarHBondContact O-CB 3.27Å; W231-C235 PolarHBondContact O-N 2.99Å; T232-C235 PolarHBondContact O-N 3.3Å; L233-C235 VanDerWaalsContact C-N 3.34Å; L233-C235 PolarHBondContact O-N 3.04Å; C235-I237 PolarHBondContact O-N 2.81Å; C235-T238 PolarHBondContact O-N 3.46Å; C235-I239 WeakPolarHBondContact O-CG1 3.32Å; C235-I239 PolarHBondContact O-N 3.3Å
236V94.9Very high93.3Very high0 Ų012.3 Ų12.30%06%0.063CC..Hα-helixtrans-60.9-46-179.7174.40000110.9L104 M125 P148 W214 T232 L233 T238 I239 L240L104-V236 HydrophobicContact CD2-CG1 3.43Å; L104-V236 VanDerWaalsContact CD2-CG1 3.43Å; M125-V236 HydrophobicContact CE-CB 4.18Å; M125-V236 HydrophobicContact CE-CG1 3.47Å; M125-V236 VanDerWaalsContact CE-CG1 3.47Å; P148-V236 HydrophobicContact CG-CG2 4.3Å; W214-V236 HydrophobicContact CE3-CG2 3.97Å; W214-V236 HydrophobicContact CZ3-CG2 4.37Å; T232-V236 WeakPolarHBondContact O-CG2 3.33Å; T232-V236 PolarHBondContact O-N 3.3Å; L233-V236 PolarHBondContact O-N 3.48Å; V236-T238 VanDerWaalsContact C-N 3.33Å; V236-T238 PolarHBondContact O-N 3.43Å; V236-I239 PolarHBondContact O-N 2.99Å; V236-L240 HydrophobicContact CG1-CD1 4.4Å; V236-L240 WeakPolarHBondContact O-CG 3.28Å; V236-L240 PolarHBondContact O-N 3.49Å
237I94.8Very high93.2Very high0 Ų017.4 Ų17.40%08%0.083CC..Hα-helixtrans-60.1-44.1177.5-67.8-75.9000111.3I122 M125 F126 L233 C235 I239 L240 I241 L284I122-I237 HydrophobicContact CG2-CD1 4.01Å; I122-I237 HydrophobicContact CG2-CG2 4Å; M125-I237 HydrophobicContact CB-CD1 4.46Å; M125-I237 HydrophobicContact CG-CD1 4.48Å; M125-I237 HydrophobicContact SD-CD1 3.34Å; M125-I237 WeakPolarHBondContact SD-CD1 3.24Å; M125-I237 HydrophobicContact SD-CG1 4.01Å; F126-I237 HydrophobicContact CB-CD1 3.79Å; F126-I237 HydrophobicContact CD2-CD1 4.16Å; F126-I237 HydrophobicContact CD2-CG1 4.01Å; F126-I237 HydrophobicContact CG-CD1 4.5Å; L233-I237 HydrophobicContact CD1-CD1 4.49Å; L233-I237 HydrophobicContact CD1-CG1 3.94Å; L233-I237 HydrophobicContact CG-CG1 4.44Å; L233-I237 WeakPolarHBondContact O-CB 2.98Å; L233-I237 VanDerWaalsContact O-CG1 3.22Å; L233-I237 WeakPolarHBondContact O-CG1 3.01Å; L233-I237 PolarHBondContact O-N 3.39Å; C235-I237 PolarHBondContact O-N 2.81Å; I237-I239 VanDerWaalsContact C-N 3.33Å; I237-I239 PolarHBondContact O-N 2.84Å; I237-L240 PolarHBondContact O-N 3.45Å; I237-L240 VanDerWaalsContact O-N 3.12Å; I237-I241 HydrophobicContact CG2-CD1 3.98Å; I237-I241 WeakPolarHBondContact O-CG1 3.39Å; I237-I241 PolarHBondContact O-N 2.9Å; I237-L284 HydrophobicContact CB-CD2 3.96Å; I237-L284 HydrophobicContact CG2-CD1 4.03Å; I237-L284 HydrophobicContact CG2-CD2 3.73Å; I237-L284 HydrophobicContact CG2-CG 4.44Å
238T94.5Very high93Very high5 Ų521.3 Ų21.33%0.03110%0.1CC..Hα-helixtrans-60.1-44.2177.6-61.40000111.2G234 C235 V236 L240 I241 Y242 L258 F265 M288G234-T238 VanDerWaalsContact O-CB 3.31Å; G234-T238 WeakPolarHBondContact O-CB 3.4Å; G234-T238 PolarHBondContact O-N 3.26Å; G234-T238 PolarHBondContact O-OG1 3.31Å; C235-T238 PolarHBondContact O-N 3.46Å; V236-T238 VanDerWaalsContact C-N 3.33Å; V236-T238 PolarHBondContact O-N 3.43Å; T238-L240 VanDerWaalsContact C-N 3.32Å; T238-L240 PolarHBondContact O-N 2.93Å; T238-I241 PolarHBondContact O-N 3.08Å; T238-Y242 HydrophobicContact CG2-CD2 3.79Å; T238-Y242 HydrophobicContact CG2-CE2 3.92Å; T238-Y242 WeakPolarHBondContact O-CD2 3.48Å; T238-Y242 PolarHBondContact O-N 3.09Å; T238-Y242 VanDerWaalsContact O-N 3.12Å; T238-L258 HydrophobicContact CG2-CD1 3.99Å; T238-L258 HydrophobicContact CG2-CD2 3.86Å; T238-F265 HydrophobicContact CG2-CD2 4.09Å; T238-M288 HydrophobicContact CG2-CE 4.21Å; T238-M288 HydrophobicContact CG2-SD 4.35Å; T238-M288 VanDerWaalsContact OG1-CE 3.24Å; T238-M288 WeakPolarHBondContact OG1-CE 3.22Å; T238-M288 PolarHBondContact OG1-SD 3.11Å
239I94Very high92.6Very high0 Ų027 Ų270%013%0.13CC..Hα-helixtrans-60.3-40.6174.7-69.4-65.2000111.7I108 W214 C235 V236 I237 Y242 I243 L246 A254 V255 L258 F265I108-I239 HydrophobicContact CD1-CG2 4.19Å; W214-I239 HydrophobicContact CH2-CG1 4.39Å; W214-I239 HydrophobicContact CH2-CG2 4.02Å; W214-I239 HydrophobicContact CZ3-CB 4.22Å; W214-I239 HydrophobicContact CZ3-CG1 3.93Å; W214-I239 HydrophobicContact CZ3-CG2 4.13Å; C235-I239 WeakPolarHBondContact O-CG1 3.32Å; C235-I239 PolarHBondContact O-N 3.3Å; V236-I239 PolarHBondContact O-N 2.99Å; I237-I239 VanDerWaalsContact C-N 3.33Å; I237-I239 PolarHBondContact O-N 2.84Å; I239-Y242 PolarHBondContact O-N 3.25Å; I239-I243 WeakPolarHBondContact O-CA 3.36Å; I239-I243 WeakPolarHBondContact O-CB 3.46Å; I239-I243 PolarHBondContact O-N 3.4Å; I239-L246 HydrophobicContact CD1-CD1 3.98Å; I239-L246 HydrophobicContact CG2-CD1 3.92Å; I239-A254 HydrophobicContact CD1-CB 3.7Å; I239-V255 HydrophobicContact CD1-CG2 4.17Å; I239-V255 HydrophobicContact CG1-CG2 4.17Å; I239-L258 HydrophobicContact CD1-CD1 4.06Å; I239-L258 HydrophobicContact CG1-CD1 4.18Å; I239-F265 HydrophobicContact CD1-CE2 4.47Å
240L94.1Very high92.5Very high1 Ų131.9 Ų31.91%0.00515%0.151CC..Hα-helixtrans-66.4-36.5177.8-63.4178.9000113L104 I108 L117 I122 M125 V236 I237 T238 I243L104-L240 HydrophobicContact CD1-CD1 4.04Å; L104-L240 HydrophobicContact CD1-CD2 3.65Å; L104-L240 HydrophobicContact CD1-CG 4.46Å; L104-L240 HydrophobicContact CD2-CD1 4.26Å; L104-L240 HydrophobicContact CD2-CD2 4.43Å; L104-L240 HydrophobicContact CG-CD2 4.18Å; I108-L240 HydrophobicContact CD1-CD2 4.22Å; I108-L240 HydrophobicContact CG1-CD2 3.78Å; L117-L240 HydrophobicContact CD1-CB 4.19Å; L117-L240 HydrophobicContact CD1-CD2 3.7Å; L117-L240 HydrophobicContact CD1-CG 4.34Å; I122-L240 HydrophobicContact CG1-CB 4.37Å; M125-L240 HydrophobicContact CG-CD1 4.2Å; M125-L240 HydrophobicContact SD-CD1 4.44Å; V236-L240 HydrophobicContact CG1-CD1 4.4Å; V236-L240 WeakPolarHBondContact O-CG 3.28Å; V236-L240 PolarHBondContact O-N 3.49Å; I237-L240 PolarHBondContact O-N 3.45Å; I237-L240 VanDerWaalsContact O-N 3.12Å; T238-L240 VanDerWaalsContact C-N 3.32Å; T238-L240 PolarHBondContact O-N 2.93Å; L240-I243 VanDerWaalsContact O-CG2 3.26Å; L240-I243 WeakPolarHBondContact O-CG2 3.26Å
241I94Very high92.2Very high5 Ų532.7 Ų32.73%0.02616%0.155CC..Hα-helixtrans-63.3-45.5175.5-68.4167.5000110.4W119 I122 I237 T238 L280 F281 L284W119-I241 HydrophobicContact CH2-CD1 4.23Å; W119-I241 HydrophobicContact CH2-CG1 3.97Å; W119-I241 HydrophobicContact CH2-CG2 4.01Å; W119-I241 HydrophobicContact CZ3-CD1 4.07Å; W119-I241 HydrophobicContact CZ3-CG1 3.87Å; I122-I241 HydrophobicContact CD1-CG1 4.03Å; I122-I241 HydrophobicContact CG2-CG1 4.45Å; I237-I241 HydrophobicContact CG2-CD1 3.98Å; I237-I241 WeakPolarHBondContact O-CG1 3.39Å; I237-I241 PolarHBondContact O-N 2.9Å; T238-I241 PolarHBondContact O-N 3.08Å; I241-L280 HydrophobicContact CD1-CD2 4.08Å; I241-F281 HydrophobicContact CD1-CE1 4.3Å; I241-F281 HydrophobicContact CG2-CE1 4.37Å; I241-F281 HydrophobicContact CG2-CZ 4.2Å; I241-L284 HydrophobicContact CD1-CD1 3.64Å
242Y93Very high92Very high5 Ų535.2 Ų35.22%0.0217%0.168CC..Hα-helixtrans-93.76.1-173.7-65.3-67000114.6T238 I239 K244 C245 L246 F265 H266 L268 S269 F281T238-Y242 HydrophobicContact CG2-CD2 3.79Å; T238-Y242 HydrophobicContact CG2-CE2 3.92Å; T238-Y242 WeakPolarHBondContact O-CD2 3.48Å; T238-Y242 PolarHBondContact O-N 3.09Å; T238-Y242 VanDerWaalsContact O-N 3.12Å; I239-Y242 PolarHBondContact O-N 3.25Å; Y242-K244 VanDerWaalsContact C-N 3.26Å; Y242-K244 PolarHBondContact O-N 3.29Å; Y242-K244 VanDerWaalsContact O-N 3.08Å; Y242-C245 WeakPolarHBondContact O-CA 3.35Å; Y242-C245 WeakPolarHBondContact O-CB 3.31Å; Y242-C245 PolarHBondContact O-N 2.85Å; Y242-L246 PolarHBondContact O-N 2.87Å; Y242-F265 HydrophobicContact CD1-CB 3.93Å; Y242-F265 HydrophobicContact CD2-CB 3.36Å; Y242-F265 AromaticContact CD2-CD2 3.87Å; Y242-F265 HydrophobicContact CD2-CD2 3.87Å; Y242-F265 AromaticContact CD2-CG 3.97Å; Y242-F265 HydrophobicContact CD2-CG 3.97Å; Y242-F265 HydrophobicContact CE1-CB 3.94Å; Y242-F265 WeakPolarHBondContact CE1-O 2.99Å; Y242-F265 HydrophobicContact CE2-CB 3.37Å; Y242-F265 HydrophobicContact CE2-CD2 4.49Å; Y242-F265 HydrophobicContact CE2-CG 4.4Å; Y242-F265 HydrophobicContact CG-CB 3.66Å; Y242-F265 HydrophobicContact CG-CD2 4.33Å; Y242-F265 HydrophobicContact CG-CG 4.18Å; Y242-F265 VanDerWaalsContact CZ-O 3.25Å; Y242-F265 PolarHBondContact OH-O 3.23Å; Y242-H266 WeakPolarHBondContact OH-CA 3.37Å; Y242-L268 HydrophobicContact CD1-CB 3.94Å; Y242-L268 HydrophobicContact CD1-CD1 4.26Å; Y242-L268 HydrophobicContact CE1-CB 3.86Å; Y242-S269 VanDerWaalsContact CE1-OG 3.23Å; Y242-S269 WeakPolarHBondContact CE1-OG 3.44Å; Y242-S269 PolarHBondContact OH-OG 3.13Å; Y242-F281 WeakPolarHBondContact OH-CE1 3.39Å
243I92.3Very high91.8Very high0 Ų039.1 Ų39.10%019%0.189CC..G310 helixtrans-50.1-41.5-171.6-167.7168.2000114.2I108 N111 I112 L117 I239 L240 C245 L246I108-I243 HydrophobicContact CB-CD1 4.37Å; I108-I243 HydrophobicContact CG1-CD1 4.34Å; N111-I243 HydrophobicContact CB-CD1 3.49Å; N111-I243 VanDerWaalsContact CB-CD1 3.49Å; N111-I243 HydrophobicContact CB-CG1 4.12Å; I112-I243 WeakPolarHBondContact CA-O 3.33Å; I112-I243 HydrophobicContact CG1-CG1 4.12Å; L117-I243 HydrophobicContact CG-CG2 4.46Å; I239-I243 WeakPolarHBondContact O-CA 3.36Å; I239-I243 WeakPolarHBondContact O-CB 3.46Å; I239-I243 PolarHBondContact O-N 3.4Å; L240-I243 VanDerWaalsContact O-CG2 3.26Å; L240-I243 WeakPolarHBondContact O-CG2 3.26Å; I243-C245 PolarHBondContact O-N 3.4Å; I243-L246 PolarHBondContact O-N 3.49Å
244K91.8Very high91.6Very high81 Ų8139.4 Ų39.435%0.35219%0.191SC..G310 helixtrans-66.4-19.5178.568.6145.4-173.9-161.60114.2R116 Y242R116-K244 HydrophobicContact CG-CB 4.25Å; R116-K244 HydrophobicContact CG-CD 3.66Å; R116-K244 HydrophobicContact CG-CG 3.64Å; R116-K244 VanDerWaalsContact CZ-CE 3.43Å; R116-K244 VanDerWaalsContact NH2-NZ 3.13Å; Y242-K244 VanDerWaalsContact C-N 3.26Å; Y242-K244 PolarHBondContact O-N 3.29Å; Y242-K244 VanDerWaalsContact O-N 3.08Å
245C90.5Very high91.5Very high49 Ų4939.4 Ų39.433%0.33119%0.191SC..G310 helixtrans-100-7-177.8-63.10000112.2Y242 I243 L268Y242-C245 WeakPolarHBondContact O-CA 3.35Å; Y242-C245 WeakPolarHBondContact O-CB 3.31Å; Y242-C245 PolarHBondContact O-N 2.85Å; I243-C245 PolarHBondContact O-N 3.4Å; C245-L268 HydrophobicContact CB-CD1 4.04Å
246L90.7Very high91.3Very high10 Ų1042.8 Ų42.85%0.05221%0.209CC..SBendtrans-79.5157.5176-57-174.6000110.3I112 E113 I239 Y242 I243 A254 F265I112-L246 HydrophobicContact CG1-CB 4.32Å; I112-L246 WeakPolarHBondContact CG2-O 3.33Å; E113-L246 WeakPolarHBondContact CG-O 3.45Å; I239-L246 HydrophobicContact CD1-CD1 3.98Å; I239-L246 HydrophobicContact CG2-CD1 3.92Å; Y242-L246 PolarHBondContact O-N 2.87Å; I243-L246 PolarHBondContact O-N 3.49Å; L246-A254 HydrophobicContact CD1-CB 4.26Å; L246-A254 HydrophobicContact CD2-CB 3.71Å; L246-F265 HydrophobicContact CD2-CZ 4.41Å
247F88.7Confident91.1Very high149 Ų14947.3 Ų47.365%0.65423%0.23SC*.PPolyproline II helixtrans-91.8147.4174.7-66.1-73.7000111.9I112 E113 N249 K250I112-F247 VanDerWaalsContact CG2-C 3.46Å; E113-F247 WeakPolarHBondContact OE1-CA 3.36Å; F247-N249 PolarHBondContact O-N 2.86Å; F247-K250 HydrophobicContact CB-CB 3.87Å; F247-K250 HydrophobicContact CB-CG 3.77Å; F247-K250 WeakPolarHBondContact O-CB 3.35Å; F247-K250 PolarHBondContact O-N 3.42Å; F247-K250 VanDerWaalsContact O-N 3.07Å
248K87.4Confident90.9Very high134 Ų13447.5 Ų47.558%0.58323%0.231SC*.THydrogen-bonded Turntrans-57.9131.8179.3-168.1174.4-176.9176.30112I112 E113 K250I112-K248 HydrophobicContact CG2-CB 4.24Å; E113-K248 PolarHBondContact OE1-N 3.44Å; K248-K250 PolarHBondContact O-N 3.09Å
249N84Confident90.8Very high121 Ų12149.4 Ų49.465%0.64724%0.239SC*.THydrogen-bonded Turntrans59.824.1-177.1-49.3-40.4000113.8F247 E251F247-N249 PolarHBondContact O-N 2.86Å; N249-E251 WeakPolarHBondContact CA-OE2 3.29Å
250K89.5Confident90.6Very high105 Ų10553.4 Ų53.446%0.45727%0.272SS..  trans-121.915.4-179.4-58.6-80.4167.7-179.20111.9F247 K248 I252 L253 A254F247-K250 HydrophobicContact CB-CB 3.87Å; F247-K250 HydrophobicContact CB-CG 3.77Å; F247-K250 WeakPolarHBondContact O-CB 3.35Å; F247-K250 PolarHBondContact O-N 3.42Å; F247-K250 VanDerWaalsContact O-N 3.07Å; K248-K250 PolarHBondContact O-N 3.09Å; K250-I252 VanDerWaalsContact C-N 3.3Å; K250-I252 PolarHBondContact O-N 3.44Å; K250-L253 HydrophobicContact CB-CD1 4.41Å; K250-L253 HydrophobicContact CD-CD1 3.32Å; K250-L253 HydrophobicContact CD-CG 4.25Å; K250-L253 HydrophobicContact CG-CD1 4.46Å; K250-L253 WeakPolarHBondContact O-CB 3.47Å; K250-L253 PolarHBondContact O-N 3.28Å; K250-L253 VanDerWaalsContact O-N 3.12Å; K250-A254 PolarHBondContact O-N 2.95Å
251E88.6Confident90.2Very high18 Ų1860.2 Ų60.28%0.08430%0.302CS..Hα-helixtrans-58.2-40.5177.361.5-82.1-166.100112.2I108 K109 I112 W214 N249 L253 A254 V255I108-E251 HydrophobicContact CG2-CB 4.31Å; K109-E251 WeakPolarHBondContact CE-OE1 3.45Å; I112-E251 HydrophobicContact CD1-CB 4.27Å; W214-E251 HydrophobicContact CH2-CB 4.5Å; W214-E251 HydrophobicContact CZ2-CB 4.39Å; W214-E251 HydrophobicContact CZ2-CG 4.16Å; N249-E251 WeakPolarHBondContact CA-OE2 3.29Å; E251-L253 VanDerWaalsContact C-N 3.34Å; E251-L253 PolarHBondContact O-N 3.17Å; E251-A254 WeakPolarHBondContact O-CB 3.32Å; E251-A254 PolarHBondContact O-N 2.96Å; E251-A254 VanDerWaalsContact O-N 3.16Å; E251-V255 WeakPolarHBondContact O-CG2 3.5Å; E251-V255 PolarHBondContact O-N 2.97Å
252I89.8Confident89.5Confident53 Ų5362.6 Ų62.627%0.27231%0.313SS..Hα-helixtrans-65.3-38.7176.8-59.2-55.5000111.3E213 W214 K250 A254 V255 D256E213-I252 HydrophobicContact CB-CD1 4.16Å; E213-I252 HydrophobicContact CB-CG2 4.01Å; E213-I252 HydrophobicContact CG-CG2 3.97Å; W214-I252 HydrophobicContact CZ2-CD1 4.28Å; K250-I252 VanDerWaalsContact C-N 3.3Å; K250-I252 PolarHBondContact O-N 3.44Å; I252-A254 VanDerWaalsContact C-N 3.29Å; I252-A254 PolarHBondContact O-N 3.3Å; I252-V255 WeakPolarHBondContact O-CB 3.18Å; I252-V255 PolarHBondContact O-N 2.99Å; I252-V255 VanDerWaalsContact O-N 3.16Å; I252-D256 PolarHBondContact O-N 2.6Å
253L90.6Very high88.9Confident86 Ų8664.7 Ų64.745%0.4532%0.324SS..Hα-helixtrans-65.4-34.7174.7-64.6-176.8000112K250 E251 V255 D256 Q257K250-L253 HydrophobicContact CB-CD1 4.41Å; K250-L253 HydrophobicContact CD-CD1 3.32Å; K250-L253 HydrophobicContact CD-CG 4.25Å; K250-L253 HydrophobicContact CG-CD1 4.46Å; K250-L253 WeakPolarHBondContact O-CB 3.47Å; K250-L253 PolarHBondContact O-N 3.28Å; K250-L253 VanDerWaalsContact O-N 3.12Å; E251-L253 VanDerWaalsContact C-N 3.34Å; E251-L253 PolarHBondContact O-N 3.17Å; L253-V255 VanDerWaalsContact C-N 3.31Å; L253-D256 PolarHBondContact O-N 2.62Å; L253-Q257 VanDerWaalsContact O-CG 3.3Å; L253-Q257 WeakPolarHBondContact O-CG 3.32Å; L253-Q257 PolarHBondContact O-N 3.48Å
254A90.9Very high88.5Confident6 Ų666.1 Ų66.15%0.0533%0.333CS..Hα-helixtrans-65.1-38.3174.400000111.2I239 L246 K250 E251 I252 Q257 L258 F265I239-A254 HydrophobicContact CD1-CB 3.7Å; L246-A254 HydrophobicContact CD1-CB 4.26Å; L246-A254 HydrophobicContact CD2-CB 3.71Å; K250-A254 PolarHBondContact O-N 2.95Å; E251-A254 WeakPolarHBondContact O-CB 3.32Å; E251-A254 PolarHBondContact O-N 2.96Å; E251-A254 VanDerWaalsContact O-N 3.16Å; I252-A254 VanDerWaalsContact C-N 3.29Å; I252-A254 PolarHBondContact O-N 3.3Å; A254-Q257 WeakPolarHBondContact O-CB 3.48Å; A254-Q257 PolarHBondContact O-N 2.83Å; A254-L258 WeakPolarHBondContact O-CG 3.4Å; A254-L258 PolarHBondContact O-N 3.22Å; A254-L258 VanDerWaalsContact O-N 3.09Å; A254-F265 HydrophobicContact CB-CE2 4.3Å; A254-F265 HydrophobicContact CB-CZ 3.88Å
255V92Very high88.1Confident0 Ų062.8 Ų62.80%032%0.319CS..Hα-helixtrans-65.6-42.8172.8178.90000111.4E213 W214 I239 E251 I252 L253 Q257 L258 K259E213-V255 WeakPolarHBondContact O-CG1 3.01Å; W214-V255 HydrophobicContact CD2-CG2 4.14Å; W214-V255 HydrophobicContact CE3-CG2 3.81Å; W214-V255 HydrophobicContact CH2-CG2 4.02Å; W214-V255 HydrophobicContact CZ2-CG2 4.33Å; W214-V255 HydrophobicContact CZ3-CG2 3.76Å; I239-V255 HydrophobicContact CD1-CG2 4.17Å; I239-V255 HydrophobicContact CG1-CG2 4.17Å; E251-V255 WeakPolarHBondContact O-CG2 3.5Å; E251-V255 PolarHBondContact O-N 2.97Å; I252-V255 WeakPolarHBondContact O-CB 3.18Å; I252-V255 PolarHBondContact O-N 2.99Å; I252-V255 VanDerWaalsContact O-N 3.16Å; L253-V255 VanDerWaalsContact C-N 3.31Å; V255-Q257 VanDerWaalsContact C-N 3.27Å; V255-Q257 PolarHBondContact O-N 3.46Å; V255-L258 WeakPolarHBondContact O-CB 3.49Å; V255-L258 PolarHBondContact O-N 3.48Å; V255-L258 VanDerWaalsContact O-N 3.12Å; V255-K259 PolarHBondContact O-N 2.93Å
256D91.4Very high87.6Confident71 Ų7162.7 Ų62.738%0.3831%0.313SS..Hα-helixtrans-61.1-36.5175.3-69.1-28.5000112I252 L253 K259 A260I252-D256 PolarHBondContact O-N 2.6Å; L253-D256 PolarHBondContact O-N 2.62Å; D256-K259 PolarHBondContact O-N 3.09Å; D256-A260 WeakPolarHBondContact O-CB 2.81Å; D256-A260 PolarHBondContact O-N 3.49Å
257Q91.6Very high87.2Confident94 Ų9469 Ų6944%0.43934%0.342SS..Hα-helixtrans-63.6-42.9173.2-74172.41.700112.1L253 A254 V255 K259 A260 K261 V264 F265L253-Q257 VanDerWaalsContact O-CG 3.3Å; L253-Q257 WeakPolarHBondContact O-CG 3.32Å; L253-Q257 PolarHBondContact O-N 3.48Å; A254-Q257 WeakPolarHBondContact O-CB 3.48Å; A254-Q257 PolarHBondContact O-N 2.83Å; V255-Q257 VanDerWaalsContact C-N 3.27Å; V255-Q257 PolarHBondContact O-N 3.46Å; Q257-K259 VanDerWaalsContact C-N 3.3Å; Q257-K259 PolarHBondContact O-N 3.38Å; Q257-A260 PolarHBondContact O-N 3.17Å; Q257-K261 PolarHBondContact O-N 2.91Å; Q257-V264 HydrophobicContact CB-CG1 4.44Å; Q257-F265 HydrophobicContact CB-CZ 4.33Å; Q257-F265 VanDerWaalsContact OE1-CE1 3.29Å
258L90.7Very high87Confident5 Ų565 Ų653%0.02633%0.327CS..Hα-helixtrans-63.4-35.5175.2-70172.9000112.2T238 I239 A254 V255 K261 F265T238-L258 HydrophobicContact CG2-CD1 3.99Å; T238-L258 HydrophobicContact CG2-CD2 3.86Å; I239-L258 HydrophobicContact CD1-CD1 4.06Å; I239-L258 HydrophobicContact CG1-CD1 4.18Å; A254-L258 WeakPolarHBondContact O-CG 3.4Å; A254-L258 PolarHBondContact O-N 3.22Å; A254-L258 VanDerWaalsContact O-N 3.09Å; V255-L258 WeakPolarHBondContact O-CB 3.49Å; V255-L258 PolarHBondContact O-N 3.48Å; V255-L258 VanDerWaalsContact O-N 3.12Å; L258-K261 CarbonylContact O-C 3.43Å; L258-F265 HydrophobicContact CD1-CD2 4.5Å; L258-F265 HydrophobicContact CD1-CE2 4Å; L258-F265 HydrophobicContact CD2-CD2 3.75Å; L258-F265 HydrophobicContact CD2-CE2 3.73Å; L258-F265 HydrophobicContact CG-CD2 4.21Å; L258-F265 HydrophobicContact CG-CE2 3.67Å
259K90.7Very high86.9Confident44 Ų4459.2 Ų59.219%0.19130%0.304CS..Hα-helixtrans-68.7-38.2173-70.8-179.1170.7-178.40112.4I212 E213 C215 P217 W231 V255 D256 Q257 N290I212-K259 PolarHBondContact O-NZ 3.02Å; E213-K259 WeakPolarHBondContact O-CE 3.47Å; E213-K259 PolarHBondContact O-NZ 3.19Å; C215-K259 WeakPolarHBondContact O-CE 3.38Å; C215-K259 PolarHBondContact O-NZ 3.22Å; P217-K259 HydrophobicContact CG-CG 4.34Å; W231-K259 HydrophobicContact CH2-CD 4.35Å; W231-K259 HydrophobicContact CH2-CG 3.55Å; W231-K259 HydrophobicContact CZ2-CG 3.77Å; V255-K259 PolarHBondContact O-N 2.93Å; D256-K259 PolarHBondContact O-N 3.09Å; Q257-K259 VanDerWaalsContact C-N 3.3Å; Q257-K259 PolarHBondContact O-N 3.38Å; K259-N290 PolarHBondContact O-ND2 3.47Å
260A89.7Confident87Confident85 Ų8556.2 Ų56.270%0.70229%0.292SS*.Hα-helixtrans-72.1-36.8-178.900000112.5D256 Q257D256-A260 WeakPolarHBondContact O-CB 2.81Å; D256-A260 PolarHBondContact O-N 3.49Å; Q257-A260 PolarHBondContact O-N 3.17Å
261K86.7Confident86.9Confident143 Ų14355.2 Ų55.262%0.62230%0.304SS*.SBendtrans-147.6131.9-178176.5179.3178.3-176.70110.9Q257 L258 V264Q257-K261 PolarHBondContact O-N 2.91Å; L258-K261 CarbonylContact O-C 3.43Å; K261-V264 HydrophobicContact CB-CG2 3.41Å; K261-V264 VanDerWaalsContact CB-CG2 3.41Å; K261-V264 HydrophobicContact CD-CG2 3.89Å; K261-V264 HydrophobicContact CG-CG2 3.62Å; K261-V264 WeakPolarHBondContact O-CG2 3.13Å
262E80.1Confident86.9Confident55 Ų5561.7 Ų61.726%0.25733%0.334SS..THydrogen-bonded Turntrans-63.3144174.2-59.5178.8-179.600110.2V264 K289 N290E262-V264 PolarHBondContact O-N 3.3Å; E262-V264 VanDerWaalsContact O-N 3.1Å; E262-K289 WeakPolarHBondContact OE1-CA 3.36Å; E262-K289 VanDerWaalsContact OE1-CD 3.25Å; E262-K289 WeakPolarHBondContact OE1-CD 3.37Å; E262-K289 IonicContact OE1-NZ 2.82Å; E262-K289 VanDerWaalsContact OE2-CD 3.28Å; E262-K289 WeakPolarHBondContact OE2-CD 3.47Å; E262-K289 WeakPolarHBondContact OE2-CE 3.22Å; E262-K289 IonicContact OE2-NZ 3.32Å; E262-K289 PolarHBondContact OE2-NZ 3.15Å; E262-N290 PolarHBondContact OE1-N 3.22Å
263N79.3Confident86.8Confident49 Ų4959.7 Ų59.726%0.26232%0.323SS..THydrogen-bonded Turntrans58.925.2169.9-65.9-10.6000115.6F265 H266 S285N263-F265 PolarHBondContact O-N 3.35Å; N263-F265 VanDerWaalsContact O-N 3.07Å; N263-H266 WeakPolarHBondContact CB-CD2 3.3Å; N263-H266 PolarHBondContact O-CD2 2.96Å; N263-H266 PolarHBondContact O-N 3.44Å; N263-H266 PolarHBondContact OD1-NE2 3.16Å; N263-S285 WeakPolarHBondContact ND2-CB 3.46Å; N263-S285 PolarHBondContact ND2-OG 3.41Å; N263-S285 PolarHBondContact OD1-OG 2.84Å
264V83.7Confident86.6Confident31 Ų3158.1 Ų58.119%0.18832%0.315CS..THydrogen-bonded Turntrans-52.4-35.9-176.6167.90000113.1Q257 K261 E262 H267Q257-V264 HydrophobicContact CB-CG1 4.44Å; K261-V264 HydrophobicContact CB-CG2 3.41Å; K261-V264 VanDerWaalsContact CB-CG2 3.41Å; K261-V264 HydrophobicContact CD-CG2 3.89Å; K261-V264 HydrophobicContact CG-CG2 3.62Å; K261-V264 WeakPolarHBondContact O-CG2 3.13Å; E262-V264 PolarHBondContact O-N 3.3Å; E262-V264 VanDerWaalsContact O-N 3.1Å; V264-H267 PolarHBondContact O-CE1 3.35Å; V264-H267 PolarHBondContact O-ND1 3.14Å
265F84.1Confident86.6Confident10 Ų1063.2 Ų63.24%0.04434%0.338CS..THydrogen-bonded Turntrans-91.3-2.2-173.2-58.1-45.3000115.4T238 I239 Y242 L246 A254 Q257 L258 N263 H267 L268T238-F265 HydrophobicContact CG2-CD2 4.09Å; I239-F265 HydrophobicContact CD1-CE2 4.47Å; Y242-F265 HydrophobicContact CD1-CB 3.93Å; Y242-F265 HydrophobicContact CD2-CB 3.36Å; Y242-F265 AromaticContact CD2-CD2 3.87Å; Y242-F265 HydrophobicContact CD2-CD2 3.87Å; Y242-F265 AromaticContact CD2-CG 3.97Å; Y242-F265 HydrophobicContact CD2-CG 3.97Å; Y242-F265 HydrophobicContact CE1-CB 3.94Å; Y242-F265 WeakPolarHBondContact CE1-O 2.99Å; Y242-F265 HydrophobicContact CE2-CB 3.37Å; Y242-F265 HydrophobicContact CE2-CD2 4.49Å; Y242-F265 HydrophobicContact CE2-CG 4.4Å; Y242-F265 HydrophobicContact CG-CB 3.66Å; Y242-F265 HydrophobicContact CG-CD2 4.33Å; Y242-F265 HydrophobicContact CG-CG 4.18Å; Y242-F265 VanDerWaalsContact CZ-O 3.25Å; Y242-F265 PolarHBondContact OH-O 3.23Å; L246-F265 HydrophobicContact CD2-CZ 4.41Å; A254-F265 HydrophobicContact CB-CE2 4.3Å; A254-F265 HydrophobicContact CB-CZ 3.88Å; Q257-F265 HydrophobicContact CB-CZ 4.33Å; Q257-F265 VanDerWaalsContact OE1-CE1 3.29Å; L258-F265 HydrophobicContact CD1-CD2 4.5Å; L258-F265 HydrophobicContact CD1-CE2 4Å; L258-F265 HydrophobicContact CD2-CD2 3.75Å; L258-F265 HydrophobicContact CD2-CE2 3.73Å; L258-F265 HydrophobicContact CG-CD2 4.21Å; L258-F265 HydrophobicContact CG-CE2 3.67Å; N263-F265 PolarHBondContact O-N 3.35Å; N263-F265 VanDerWaalsContact O-N 3.07Å; F265-H267 PolarHBondContact O-N 3.03Å; F265-L268 HydrophobicContact CB-CD1 4.1Å; F265-L268 HydrophobicContact CD1-CD1 3.83Å; F265-L268 HydrophobicContact CG-CD1 4.3Å; F265-L268 VanDerWaalsContact O-CB 3.27Å; F265-L268 WeakPolarHBondContact O-CB 3.38Å; F265-L268 PolarHBondContact O-N 2.92Å
266H80.4Confident86.6Confident47 Ų4767.7 Ų67.722%0.21837%0.366CS..G310 helixtrans-56.9-31.3-177.5-85.7-104.6000113.8Y242 N263 L268 S269 F281Y242-H266 WeakPolarHBondContact OH-CA 3.37Å; N263-H266 WeakPolarHBondContact CB-CD2 3.3Å; N263-H266 PolarHBondContact O-CD2 2.96Å; N263-H266 PolarHBondContact O-N 3.44Å; N263-H266 PolarHBondContact OD1-NE2 3.16Å; H266-L268 PolarHBondContact O-N 2.76Å; H266-S269 PolarHBondContact O-N 3Å; H266-F281 AromaticContact CE1-CD1 3.61Å
267H82.3Confident86.6Confident144 Ų14465.3 Ų65.367%0.66735%0.352SS*.G310 helixtrans-67-12.4176.872.1-80.7000114V264 F265V264-H267 PolarHBondContact O-CE1 3.35Å; V264-H267 PolarHBondContact O-ND1 3.14Å; F265-H267 PolarHBondContact O-N 3.03Å
268L84.5Confident86.7Confident63 Ų6365.7 Ų65.733%0.3335%0.352SS..G310 helixtrans-88.9-11.4177.9-56.7176.9000113Y242 C245 F265 H266Y242-L268 HydrophobicContact CD1-CB 3.94Å; Y242-L268 HydrophobicContact CD1-CD1 4.26Å; Y242-L268 HydrophobicContact CE1-CB 3.86Å; C245-L268 HydrophobicContact CB-CD1 4.04Å; F265-L268 HydrophobicContact CB-CD1 4.1Å; F265-L268 HydrophobicContact CD1-CD1 3.83Å; F265-L268 HydrophobicContact CG-CD1 4.3Å; F265-L268 VanDerWaalsContact O-CB 3.27Å; F265-L268 WeakPolarHBondContact O-CB 3.38Å; F265-L268 PolarHBondContact O-N 2.92Å; H266-L268 PolarHBondContact O-N 2.76Å
269S84.8Confident86.8Confident14 Ų1468.5 Ų68.510%0.09837%0.365CS..SBendtrans-87.7144.3177.4-650000111.2Y242 H266Y242-S269 VanDerWaalsContact CE1-OG 3.23Å; Y242-S269 WeakPolarHBondContact CE1-OG 3.44Å; Y242-S269 PolarHBondContact OH-OG 3.13Å; H266-S269 PolarHBondContact O-N 3Å
270S85.6Confident86.9Confident58 Ų5866.4 Ų66.441%0.40636%0.356SS..  trans-72.3157.7171.269.60000110.9E272 E273 L274S270-E272 VanDerWaalsContact C-N 3.27Å; S270-E272 PolarHBondContact O-N 2.89Å; S270-E273 PolarHBondContact O-N 3.34Å; S270-E273 VanDerWaalsContact OG-CB 3.3Å; S270-E273 WeakPolarHBondContact OG-CB 3.28Å; S270-E273 PolarHBondContact OG-N 2.96Å; S270-L274 WeakPolarHBondContact O-CG 3.38Å; S270-L274 PolarHBondContact O-N 3.3Å
271A87Confident87.1Confident84 Ų8462.7 Ų62.769%0.69432%0.324SS*.Hα-helixtrans-59-38.6177.500000112.5L274 E275A271-L274 PolarHBondContact O-N 3.49Å; A271-E275 PolarHBondContact O-N 3.38Å
272E88.6Confident87.5Confident153 Ų15361 Ų6172%0.71532%0.317SS*.Hα-helixtrans-64.4-40.9176.5-176-177.8-178.600112.4S270 E275 T276S270-E272 VanDerWaalsContact C-N 3.27Å; S270-E272 PolarHBondContact O-N 2.89Å; E272-E275 PolarHBondContact O-N 3.05Å; E272-T276 WeakPolarHBondContact O-CB 3.27Å; E272-T276 PolarHBondContact O-N 2.89Å; E272-T276 PolarHBondContact O-OG1 2.97Å
273E87.5Confident88.2Confident11 Ų1158.4 Ų58.45%0.05131%0.305CS..Hα-helixtrans-67.6-42.3178.7-175.2177.4164.700111.4R116 W119 S270 E275 H277R116-E273 IonicContact CZ-OE1 3.53Å; R116-E273 IonicContact CZ-OE2 2.7Å; R116-E273 IonicContact NH1-OE1 2.76Å; R116-E273 IonicContact NH1-OE2 3.66Å; R116-E273 PolarHBondContact NH1-OE2 3.31Å; R116-E273 IonicContact NH2-OE1 3.94Å; R116-E273 IonicContact NH2-OE2 2.92Å; R116-E273 PolarHBondContact NH2-OE2 2.97Å; W119-E273 HydrophobicContact CZ2-CG 3.8Å; S270-E273 PolarHBondContact O-N 3.34Å; S270-E273 VanDerWaalsContact OG-CB 3.3Å; S270-E273 WeakPolarHBondContact OG-CB 3.28Å; S270-E273 PolarHBondContact OG-N 2.96Å; E273-E275 VanDerWaalsContact C-N 3.35Å; E273-H277 PolarHBondContact O-CD2 3.36Å; E273-H277 PolarHBondContact O-N 3.09Å; E273-H277 VanDerWaalsContact O-N 3.09Å
274L87.5Confident88.9Confident53 Ų5356.1 Ų56.128%0.27729%0.293SS..Hα-helixtrans-62-41.4174.7-72.1168.6000111.7S270 A271 K278 F281S270-L274 WeakPolarHBondContact O-CG 3.38Å; S270-L274 PolarHBondContact O-N 3.3Å; A271-L274 PolarHBondContact O-N 3.49Å; L274-K278 WeakPolarHBondContact O-CA 3.28Å; L274-K278 WeakPolarHBondContact O-CB 3.31Å; L274-K278 PolarHBondContact O-N 3.35Å; L274-F281 HydrophobicContact CD2-CD1 4.28Å; L274-F281 HydrophobicContact CD2-CD2 3.86Å; L274-F281 HydrophobicContact CD2-CE1 4.3Å; L274-F281 HydrophobicContact CD2-CE2 3.88Å; L274-F281 HydrophobicContact CD2-CG 4.07Å; L274-F281 HydrophobicContact CD2-CZ 4.11Å
275E90.9Very high89.4Confident113 Ų11356 Ų5653%0.52829%0.293SS..Hα-helixtrans-70.6-44.8178.6-175.256.7-146.300111.8A271 E272 E273 H277 K278A271-E275 PolarHBondContact O-N 3.38Å; E272-E275 PolarHBondContact O-N 3.05Å; E273-E275 VanDerWaalsContact C-N 3.35Å; E275-H277 VanDerWaalsContact C-N 3.26Å; E275-H277 PolarHBondContact O-N 3.41Å; E275-K278 WeakPolarHBondContact O-CG 3.12Å; E275-K278 PolarHBondContact O-N 3.39Å; E275-K278 WeakPolarHBondContact OE1-CD 3.1Å; E275-K278 IonicContact OE1-NZ 2.91Å; E275-K278 PolarHBondContact OE1-NZ 3.37Å
276T91.6Very high90Very high95 Ų9558.9 Ų58.958%0.58331%0.306SS*.Hα-helixtrans-61.2-36.8-179-56.80000111.8E272E272-T276 WeakPolarHBondContact O-CB 3.27Å; E272-T276 PolarHBondContact O-N 2.89Å; E272-T276 PolarHBondContact O-OG1 2.97Å
277H92Very high90.8Very high20 Ų2056.6 Ų56.69%0.09330%0.296CS..THydrogen-bonded Turntrans-113.425.1-176.4-53.1-62.8000113W119 Y123 E273 E275 E279 L280 F281W119-H277 AromaticContact CD1-CE1 3.84Å; W119-H277 AromaticContact CD1-NE2 3.52Å; W119-H277 AromaticContact CD2-CD2 3.85Å; W119-H277 AromaticContact CD2-CE1 3.56Å; W119-H277 AromaticContact CD2-NE2 3.43Å; W119-H277 AromaticContact CE2-CD2 3.36Å; W119-H277 AromaticContact CE2-CE1 3.75Å; W119-H277 AromaticContact CE2-NE2 3.1Å; W119-H277 AromaticContact CG-CE1 3.66Å; W119-H277 AromaticContact CG-NE2 3.71Å; W119-H277 HydrophobicContact CH2-CB 4.29Å; W119-H277 AromaticContact CH2-CD2 3.63Å; W119-H277 AromaticContact CH2-CG 3.93Å; W119-H277 AromaticContact CZ2-CD2 3.25Å; W119-H277 WeakPolarHBondContact CZ2-CD2 3.42Å; W119-H277 AromaticContact CZ2-NE2 3.56Å; W119-H277 HydrophobicContact CZ3-CB 4.37Å; W119-H277 AromaticContact NE1-CD2 3.83Å; W119-H277 AromaticContact NE1-CE1 3.88Å; W119-H277 AromaticContact NE1-NE2 3.13Å; W119-H277 PolarHBondContact NE1-NE2 3.19Å; W119-H277 VanDerWaalsContact NE1-NE2 3.13Å; Y123-H277 AromaticContact CZ-ND1 3.86Å; Y123-H277 PolarHBondContact OH-CE1 3.18Å; Y123-H277 PolarHBondContact OH-ND1 2.92Å; E273-H277 PolarHBondContact O-CD2 3.36Å; E273-H277 PolarHBondContact O-N 3.09Å; E273-H277 VanDerWaalsContact O-N 3.09Å; E275-H277 VanDerWaalsContact C-N 3.26Å; E275-H277 PolarHBondContact O-N 3.41Å; H277-E279 VanDerWaalsContact C-N 3.29Å; H277-E279 PolarHBondContact O-N 3.39Å; H277-L280 WeakPolarHBondContact O-CB 3.27Å; H277-L280 PolarHBondContact O-N 3.38Å; H277-F281 HydrophobicContact CB-CD2 4.02Å; H277-F281 HydrophobicContact CB-CE2 3.89Å; H277-F281 WeakPolarHBondContact O-CD2 3.34Å; H277-F281 PolarHBondContact O-N 3.24Å; H277-F281 VanDerWaalsContact O-N 3.09Å
278K92.6Very high91.3Very high102 Ų10250 Ų5044%0.44327%0.266SS..Hα-helixtrans-53.6-40.5-172.366.3-175.6173-164.20114.6L274 E275 F281 K282L274-K278 WeakPolarHBondContact O-CA 3.28Å; L274-K278 WeakPolarHBondContact O-CB 3.31Å; L274-K278 PolarHBondContact O-N 3.35Å; E275-K278 WeakPolarHBondContact O-CG 3.12Å; E275-K278 PolarHBondContact O-N 3.39Å; E275-K278 WeakPolarHBondContact OE1-CD 3.1Å; E275-K278 IonicContact OE1-NZ 2.91Å; E275-K278 PolarHBondContact OE1-NZ 3.37Å; K278-F281 PolarHBondContact O-N 3.35Å; K278-K282 WeakPolarHBondContact O-CB 3.48Å; K278-K282 PolarHBondContact O-N 2.97Å
279E93.4Very high91.8Very high64 Ų6449.8 Ų49.830%0.29926%0.262SS..Hα-helixtrans-67.3-39-179.4-62-52.7142.100111.2H277 K282 L283 Y306H277-E279 VanDerWaalsContact C-N 3.29Å; H277-E279 PolarHBondContact O-N 3.39Å; E279-K282 PolarHBondContact O-N 3.2Å; E279-K282 IonicContact OE2-NZ 3.86Å; E279-L283 VanDerWaalsContact O-CG 3.29Å; E279-L283 WeakPolarHBondContact O-CG 2.96Å; E279-L283 PolarHBondContact O-N 3.13Å; E279-Y306 HydrophobicContact CB-CD1 3.92Å; E279-Y306 HydrophobicContact CB-CD2 3.71Å; E279-Y306 HydrophobicContact CB-CE1 4.16Å; E279-Y306 HydrophobicContact CB-CE2 4.01Å; E279-Y306 HydrophobicContact CB-CG 3.66Å; E279-Y306 HydrophobicContact CG-CD2 4.19Å; E279-Y306 HydrophobicContact CG-CG 4.4Å
280L93.6Very high92.2Very high0 Ų051.4 Ų51.40%027%0.269CS..Hα-helixtrans-63.6-47.7174179.364.5000110.8W119 Y123 F126 I241 H277 K282 L283 L284 Y306W119-L280 HydrophobicContact CZ3-CD2 3.88Å; Y123-L280 HydrophobicContact CE1-CD2 3.88Å; F126-L280 HydrophobicContact CD2-CD1 4.23Å; F126-L280 HydrophobicContact CE2-CD1 4.29Å; I241-L280 HydrophobicContact CD1-CD2 4.08Å; H277-L280 WeakPolarHBondContact O-CB 3.27Å; H277-L280 PolarHBondContact O-N 3.38Å; L280-K282 VanDerWaalsContact C-N 3.31Å; L280-K282 PolarHBondContact O-N 2.99Å; L280-L283 PolarHBondContact O-N 3.03Å; L280-L283 VanDerWaalsContact O-N 3.16Å; L280-L284 HydrophobicContact CD1-CD1 4.42Å; L280-L284 HydrophobicContact CD1-CG 4.22Å; L280-L284 HydrophobicContact CG-CD1 4.04Å; L280-L284 HydrophobicContact CG-CG 4.28Å; L280-L284 VanDerWaalsContact O-CG 3.29Å; L280-L284 WeakPolarHBondContact O-CG 3.29Å; L280-L284 PolarHBondContact O-N 3.34Å; L280-Y306 HydrophobicContact CB-CE1 4.06Å
281F93.7Very high92.6Very high8 Ų851.8 Ų51.84%0.03527%0.267CS..Hα-helixtrans-62.3-37.2179.5-79-64000113W119 I241 Y242 H266 L274 H277 K278 L284 S285W119-F281 HydrophobicContact CH2-CE2 4.49Å; W119-F281 HydrophobicContact CH2-CZ 4.33Å; I241-F281 HydrophobicContact CD1-CE1 4.3Å; I241-F281 HydrophobicContact CG2-CE1 4.37Å; I241-F281 HydrophobicContact CG2-CZ 4.2Å; Y242-F281 WeakPolarHBondContact OH-CE1 3.39Å; H266-F281 AromaticContact CE1-CD1 3.61Å; L274-F281 HydrophobicContact CD2-CD1 4.28Å; L274-F281 HydrophobicContact CD2-CD2 3.86Å; L274-F281 HydrophobicContact CD2-CE1 4.3Å; L274-F281 HydrophobicContact CD2-CE2 3.88Å; L274-F281 HydrophobicContact CD2-CG 4.07Å; L274-F281 HydrophobicContact CD2-CZ 4.11Å; H277-F281 HydrophobicContact CB-CD2 4.02Å; H277-F281 HydrophobicContact CB-CE2 3.89Å; H277-F281 WeakPolarHBondContact O-CD2 3.34Å; H277-F281 PolarHBondContact O-N 3.24Å; H277-F281 VanDerWaalsContact O-N 3.09Å; K278-F281 PolarHBondContact O-N 3.35Å; F281-L284 HydrophobicContact CD1-CD1 4.46Å; F281-S285 PolarHBondContact O-N 3.31Å; F281-S285 VanDerWaalsContact O-N 3.08Å; F281-S285 PolarHBondContact O-OG 3.16Å
282K93.5Very high92.9Very high106 Ų10649.7 Ų49.746%0.46125%0.246SC..Hα-helixtrans-61.7-47.6171.8177.2-173.7167.4-161.10111.2K278 E279 L280 S285 Q286K278-K282 WeakPolarHBondContact O-CB 3.48Å; K278-K282 PolarHBondContact O-N 2.97Å; E279-K282 PolarHBondContact O-N 3.2Å; E279-K282 IonicContact OE2-NZ 3.86Å; L280-K282 VanDerWaalsContact C-N 3.31Å; L280-K282 PolarHBondContact O-N 2.99Å; K282-S285 WeakPolarHBondContact O-CB 3.19Å; K282-S285 PolarHBondContact O-N 3.17Å; K282-Q286 WeakPolarHBondContact O-CG 3.18Å; K282-Q286 PolarHBondContact O-N 2.97Å
283L95.5Very high93.2Very high1 Ų147 Ų471%0.00525%0.245CC..Hα-helixtrans-61.9-45.9176.8-72.4171.4000111.9E279 L280 S285 Q286 M287 I296 L301 D304 Y306 V307E279-L283 VanDerWaalsContact O-CG 3.29Å; E279-L283 WeakPolarHBondContact O-CG 2.96Å; E279-L283 PolarHBondContact O-N 3.13Å; L280-L283 PolarHBondContact O-N 3.03Å; L280-L283 VanDerWaalsContact O-N 3.16Å; L283-S285 VanDerWaalsContact C-N 3.25Å; L283-S285 PolarHBondContact O-N 2.68Å; L283-Q286 CarbonylContact O-C 3.46Å; L283-Q286 WeakPolarHBondContact O-CA 3.28Å; L283-Q286 WeakPolarHBondContact O-CB 3.24Å; L283-Q286 PolarHBondContact O-N 3.48Å; L283-M287 VanDerWaalsContact O-CG 3.24Å; L283-M287 WeakPolarHBondContact O-CG 3.17Å; L283-M287 PolarHBondContact O-N 3.04Å; L283-I296 HydrophobicContact CD2-CD1 4.49Å; L283-L301 HydrophobicContact CD2-CD1 3.95Å; L283-D304 HydrophobicContact CD2-CB 4.41Å; L283-Y306 HydrophobicContact CD1-CD1 3.55Å; L283-Y306 HydrophobicContact CD1-CE1 4.15Å; L283-V307 HydrophobicContact CD1-CG2 3.55Å; L283-V307 HydrophobicContact CD2-CG2 4.36Å
284L95.1Very high93.6Very high2 Ų252.4 Ų52.41%0.0127%0.27CS..Hα-helixtrans-57.3-40.2177.5-69.7175.4000111.8I237 I241 L280 F281 Q286 M287 M288I237-L284 HydrophobicContact CB-CD2 3.96Å; I237-L284 HydrophobicContact CG2-CD1 4.03Å; I237-L284 HydrophobicContact CG2-CD2 3.73Å; I237-L284 HydrophobicContact CG2-CG 4.44Å; I241-L284 HydrophobicContact CD1-CD1 3.64Å; L280-L284 HydrophobicContact CD1-CD1 4.42Å; L280-L284 HydrophobicContact CD1-CG 4.22Å; L280-L284 HydrophobicContact CG-CD1 4.04Å; L280-L284 HydrophobicContact CG-CG 4.28Å; L280-L284 VanDerWaalsContact O-CG 3.29Å; L280-L284 WeakPolarHBondContact O-CG 3.29Å; L280-L284 PolarHBondContact O-N 3.34Å; F281-L284 HydrophobicContact CD1-CD1 4.46Å; L284-Q286 VanDerWaalsContact C-N 3.26Å; L284-Q286 PolarHBondContact O-N 3.47Å; L284-M287 HydrophobicContact CD2-SD 4.47Å; L284-M287 PolarHBondContact O-N 3.08Å; L284-M288 HydrophobicContact CB-CE 4.11Å; L284-M288 WeakPolarHBondContact O-CB 3.34Å; L284-M288 WeakPolarHBondContact O-CG 3.13Å; L284-M288 PolarHBondContact O-N 3.47Å
285S94.1Very high94.1Very high27 Ų2750 Ų5019%0.18926%0.257CS..Hα-helixtrans-62.6-31.2175.2-59.40000113.2N263 F281 K282 L283N263-S285 WeakPolarHBondContact ND2-CB 3.46Å; N263-S285 PolarHBondContact ND2-OG 3.41Å; N263-S285 PolarHBondContact OD1-OG 2.84Å; F281-S285 PolarHBondContact O-N 3.31Å; F281-S285 VanDerWaalsContact O-N 3.08Å; F281-S285 PolarHBondContact O-OG 3.16Å; K282-S285 WeakPolarHBondContact O-CB 3.19Å; K282-S285 PolarHBondContact O-N 3.17Å; L283-S285 VanDerWaalsContact C-N 3.25Å; L283-S285 PolarHBondContact O-N 2.68Å
286Q95.8Very high94.4Very high71 Ų7145.8 Ų45.833%0.33224%0.238SC..Hα-helixtrans-84.5-33177.5-65175.7-34.400112.5K282 L283 L284 I296K282-Q286 WeakPolarHBondContact O-CG 3.18Å; K282-Q286 PolarHBondContact O-N 2.97Å; L283-Q286 CarbonylContact O-C 3.46Å; L283-Q286 WeakPolarHBondContact O-CA 3.28Å; L283-Q286 WeakPolarHBondContact O-CB 3.24Å; L283-Q286 PolarHBondContact O-N 3.48Å; L284-Q286 VanDerWaalsContact C-N 3.26Å; L284-Q286 PolarHBondContact O-N 3.47Å; Q286-I296 HydrophobicContact CB-CB 4.06Å; Q286-I296 HydrophobicContact CB-CG2 4.13Å; Q286-I296 PolarHBondContact O-N 3.22Å; Q286-I296 VanDerWaalsContact O-N 3.13Å
287M96.2Very high94.6Very high0 Ų042.5 Ų42.50%022%0.219CC..Hα-helixtrans-72.8-35.7177.1-66.417269.500112F126 V230 W231 L233 L283 L284 K289 R295 I296 L301F126-M287 HydrophobicContact CE2-CE 3.95Å; F126-M287 HydrophobicContact CE2-SD 3.78Å; F126-M287 HydrophobicContact CZ-CE 4.42Å; F126-M287 HydrophobicContact CZ-SD 4.14Å; V230-M287 HydrophobicContact CG1-CB 3.84Å; V230-M287 HydrophobicContact CG1-CE 4.09Å; V230-M287 HydrophobicContact CG1-CG 3.68Å; V230-M287 VanDerWaalsContact O-CE 3.23Å; V230-M287 WeakPolarHBondContact O-CE 3.37Å; W231-M287 WeakPolarHBondContact CA-O 3.18Å; L233-M287 HydrophobicContact CB-CE 3.88Å; L233-M287 HydrophobicContact CD2-CE 3.85Å; L233-M287 HydrophobicContact CG-CE 3.76Å; L283-M287 VanDerWaalsContact O-CG 3.24Å; L283-M287 WeakPolarHBondContact O-CG 3.17Å; L283-M287 PolarHBondContact O-N 3.04Å; L284-M287 HydrophobicContact CD2-SD 4.47Å; L284-M287 PolarHBondContact O-N 3.08Å; M287-K289 VanDerWaalsContact C-N 3.33Å; M287-K289 PolarHBondContact O-N 3.14Å; M287-R295 WeakPolarHBondContact O-CD 3.18Å; M287-R295 WeakPolarHBondContact O-CG 3.47Å; M287-I296 HydrophobicContact CB-CG2 4.42Å; M287-I296 HydrophobicContact CG-CG2 3.78Å; M287-L301 HydrophobicContact CE-CD2 4.13Å; M287-L301 HydrophobicContact CG-CD1 4.28Å; M287-L301 HydrophobicContact SD-CD1 4.12Å; M287-L301 HydrophobicContact SD-CD2 4.32Å
288M94.8Very high94.7Very high6 Ų641.6 Ų41.63%0.0322%0.215CC..THydrogen-bonded Turntrans-92.317.7-174.6-64-170.6-5900114.2W231 G234 T238 L284 N290W231-M288 VanDerWaalsContact CD1-CA 3.49Å; W231-M288 PolarHBondContact NE1-O 3.32Å; G234-M288 VanDerWaalsContact C-SD 3.59Å; T238-M288 HydrophobicContact CG2-CE 4.21Å; T238-M288 HydrophobicContact CG2-SD 4.35Å; T238-M288 VanDerWaalsContact OG1-CE 3.24Å; T238-M288 WeakPolarHBondContact OG1-CE 3.22Å; T238-M288 PolarHBondContact OG1-SD 3.11Å; L284-M288 HydrophobicContact CB-CE 4.11Å; L284-M288 WeakPolarHBondContact O-CB 3.34Å; L284-M288 WeakPolarHBondContact O-CG 3.13Å; L284-M288 PolarHBondContact O-N 3.47Å; M288-N290 PolarHBondContact O-N 3.46Å
289K94.9Very high94.8Very high58 Ų5840.8 Ų40.825%0.25222%0.215SC..  trans-61.1127.2172.1-67.8-59.7-172.1176.70111.2E262 M287 E294 R295E262-K289 WeakPolarHBondContact OE1-CA 3.36Å; E262-K289 VanDerWaalsContact OE1-CD 3.25Å; E262-K289 WeakPolarHBondContact OE1-CD 3.37Å; E262-K289 IonicContact OE1-NZ 2.82Å; E262-K289 VanDerWaalsContact OE2-CD 3.28Å; E262-K289 WeakPolarHBondContact OE2-CD 3.47Å; E262-K289 WeakPolarHBondContact OE2-CE 3.22Å; E262-K289 IonicContact OE2-NZ 3.32Å; E262-K289 PolarHBondContact OE2-NZ 3.15Å; M287-K289 VanDerWaalsContact C-N 3.33Å; M287-K289 PolarHBondContact O-N 3.14Å; K289-E294 HydrophobicContact CB-CB 4.36Å; K289-E294 HydrophobicContact CG-CB 4.4Å; K289-R295 HydrophobicContact CB-CB 3.9Å; K289-R295 HydrophobicContact CB-CG 4.29Å; K289-R295 PolarHBondContact O-NE 2.99Å; K289-R295 PolarHBondContact O-NH2 3.42Å
290N92.9Very high94.9Very high47 Ų4742.2 Ų42.225%0.25123%0.225SC..SBendtrans-68-41.5-178.1-82.5-13.4000112K259 E262 M288 P292 R295K259-N290 PolarHBondContact O-ND2 3.47Å; E262-N290 PolarHBondContact OE1-N 3.22Å; M288-N290 PolarHBondContact O-N 3.46Å; N290-P292 VanDerWaalsContact O-CD 3.29Å; N290-P292 WeakPolarHBondContact O-CD 3.27Å; N290-R295 PolarHBondContact O-NH2 2.92Å
291N93Very high95Very high66 Ų6642.2 Ų42.235%0.35323%0.225SC..SBendtrans-73117.3172.2-178.8-0.4000109.7S293 E294 R295N291-S293 PolarHBondContact O-N 3.22Å; N291-S293 VanDerWaalsContact O-N 3.12Å; N291-S293 WeakPolarHBondContact OD1-CB 3.43Å; N291-S293 PolarHBondContact OD1-N 3.35Å; N291-S293 PolarHBondContact OD1-OG 3.48Å; N291-E294 HydrophobicContact CB-CB 4.34Å; N291-E294 HydrophobicContact CB-CG 4.28Å; N291-E294 PolarHBondContact ND2-OE1 3Å; N291-E294 PolarHBondContact O-N 2.97Å; N291-E294 VanDerWaalsContact O-N 3.11Å; N291-R295 PolarHBondContact O-N 3Å
292P94.1Very high95Very high40 Ų4043.7 Ų43.726%0.2623%0.233SC..THydrogen-bonded Turntrans-58.1-28.5178.4-24.635.4000112.8E218 K227 N290 E294 R295E218-P292 HydrophobicContact CB-CG 4.38Å; E218-P292 HydrophobicContact CG-CG 4.07Å; K227-P292 WeakPolarHBondContact CD-O 3.29Å; K227-P292 WeakPolarHBondContact CE-O 3.43Å; K227-P292 PolarHBondContact NZ-O 3.36Å; N290-P292 VanDerWaalsContact O-CD 3.29Å; N290-P292 WeakPolarHBondContact O-CD 3.27Å; P292-E294 VanDerWaalsContact C-N 3.33Å; P292-E294 PolarHBondContact O-N 3.38Å; P292-R295 PolarHBondContact O-N 2.97Å
293S95.4Very high95Very high98 Ų9844.2 Ų44.269%0.68524%0.241SC*.THydrogen-bonded Turntrans-67-33.8179.6-55.50000112.8K227 N291K227-S293 PolarHBondContact NZ-O 3.42Å; N291-S293 PolarHBondContact O-N 3.22Å; N291-S293 VanDerWaalsContact O-N 3.12Å; N291-S293 WeakPolarHBondContact OD1-CB 3.43Å; N291-S293 PolarHBondContact OD1-N 3.35Å; N291-S293 PolarHBondContact OD1-OG 3.48Å
294E96Very high94.9Very high123 Ų12345.8 Ų45.858%0.57525%0.249SC*.THydrogen-bonded Turntrans-88-16.6-179.9-68.2166.1-142.200113.2K289 N291 P292K289-E294 HydrophobicContact CB-CB 4.36Å; K289-E294 HydrophobicContact CG-CB 4.4Å; N291-E294 HydrophobicContact CB-CB 4.34Å; N291-E294 HydrophobicContact CB-CG 4.28Å; N291-E294 PolarHBondContact ND2-OE1 3Å; N291-E294 PolarHBondContact O-N 2.97Å; N291-E294 VanDerWaalsContact O-N 3.11Å; P292-E294 VanDerWaalsContact C-N 3.33Å; P292-E294 PolarHBondContact O-N 3.38Å
295R96.7Very high94.7Very high3 Ų351.9 Ų51.91%0.01128%0.281CS..SBendtrans-69.5138.4179.5-164.8-176.6-57.7155.54.1111E218 K227 M287 K289 N290 N291 P292 S297E218-R295 IonicContact OE1-CZ 3.92Å; E218-R295 IonicContact OE1-NH1 3.25Å; E218-R295 PolarHBondContact OE1-NH1 3.18Å; E218-R295 IonicContact OE1-NH2 2.77Å; E218-R295 PolarHBondContact OE1-NH2 2.91Å; E218-R295 IonicContact OE2-CZ 3.5Å; E218-R295 IonicContact OE2-NH1 3.66Å; E218-R295 IonicContact OE2-NH2 3.46Å; E218-R295 PolarHBondContact OE2-NH2 3.39Å; K227-R295 HydrophobicContact CD-CB 4.31Å; K227-R295 WeakPolarHBondContact CE-O 3.12Å; K227-R295 PolarHBondContact NZ-O 3.2Å; K227-R295 WeakPolarHBondContact O-CD 3.44Å; K227-R295 PolarHBondContact O-NH1 3.48Å; M287-R295 WeakPolarHBondContact O-CD 3.18Å; M287-R295 WeakPolarHBondContact O-CG 3.47Å; K289-R295 HydrophobicContact CB-CB 3.9Å; K289-R295 HydrophobicContact CB-CG 4.29Å; K289-R295 PolarHBondContact O-NE 2.99Å; K289-R295 PolarHBondContact O-NH2 3.42Å; N290-R295 PolarHBondContact O-NH2 2.92Å; N291-R295 PolarHBondContact O-N 3Å; P292-R295 PolarHBondContact O-N 2.97Å; R295-S297 PolarHBondContact O-N 2.94Å
296I97.2Very high94.6Very high24 Ų2453.1 Ų53.112%0.12328%0.282CS..PPolyproline II helixtrans-53.9135.4173.7-167.5170.4000110.1V230 L283 Q286 M287 D300 L301V230-I296 HydrophobicContact CG1-CG2 3.94Å; L283-I296 HydrophobicContact CD2-CD1 4.49Å; Q286-I296 HydrophobicContact CB-CB 4.06Å; Q286-I296 HydrophobicContact CB-CG2 4.13Å; Q286-I296 PolarHBondContact O-N 3.22Å; Q286-I296 VanDerWaalsContact O-N 3.13Å; M287-I296 HydrophobicContact CB-CG2 4.42Å; M287-I296 HydrophobicContact CG-CG2 3.78Å; I296-D300 HydrophobicContact CD1-CB 4.23Å; I296-D300 HydrophobicContact CG1-CB 3.71Å; I296-L301 HydrophobicContact CD1-CB 4.12Å; I296-L301 HydrophobicContact CD1-CD1 4.15Å; I296-L301 HydrophobicContact CG1-CB 4.35Å
297S96Very high94.4Very high26 Ų2649.7 Ų49.718%0.18227%0.266CS..PPolyproline II helixtrans-75.8159.1175.581.20000110.5R295 N299 D300 L301R295-S297 PolarHBondContact O-N 2.94Å; S297-N299 PolarHBondContact O-N 2.89Å; S297-N299 PolarHBondContact OG-N 3.43Å; S297-D300 VanDerWaalsContact CB-OD2 3.32Å; S297-D300 WeakPolarHBondContact CB-OD2 3.36Å; S297-D300 PolarHBondContact O-N 3.03Å; S297-D300 PolarHBondContact OG-N 3.44Å; S297-D300 VanDerWaalsContact OG-N 3.11Å; S297-D300 PolarHBondContact OG-OD2 3.48Å; S297-L301 WeakPolarHBondContact O-CB 3.49Å; S297-L301 PolarHBondContact O-N 3.38Å
298L94.2Very high94.1Very high2 Ų253.5 Ų53.51%0.0128%0.284CS..Hα-helixtrans-58.6-35.3173.8176.862.8000112.1L130 I133 K137 D226 V230 L302L130-L298 HydrophobicContact CD1-CD1 3.46Å; L130-L298 VanDerWaalsContact CD1-CD1 3.46Å; I133-L298 HydrophobicContact CG2-CD1 4.1Å; I133-L298 HydrophobicContact CG2-CD2 3.69Å; K137-L298 HydrophobicContact CD-CD2 3.68Å; D226-L298 HydrophobicContact CB-CB 4.08Å; D226-L298 HydrophobicContact CB-CD2 4.25Å; V230-L298 HydrophobicContact CG2-CB 4.17Å; V230-L298 HydrophobicContact CG2-CD1 4.29Å; L298-L302 HydrophobicContact CD1-CD1 4.21Å; L298-L302 HydrophobicContact CD1-CG 4.32Å; L298-L302 HydrophobicContact CG-CD1 4.1Å; L298-L302 WeakPolarHBondContact O-CD1 3.38Å; L298-L302 WeakPolarHBondContact O-CG 3.16Å; L298-L302 PolarHBondContact O-N 3.43Å
299N94.1Very high93.6Very high85 Ų8556.3 Ų56.346%0.45530%0.301SS..Hα-helixtrans-69.1-48179.7-65.9-5.9000110.7K137 S297 L301 L302 D303K137-N299 PolarHBondContact NZ-OD1 3.09Å; S297-N299 PolarHBondContact O-N 2.89Å; S297-N299 PolarHBondContact OG-N 3.43Å; N299-L301 PolarHBondContact O-N 3.11Å; N299-L302 PolarHBondContact O-N 2.98Å; N299-D303 PolarHBondContact O-N 3.18Å
300D96.4Very high93.1Very high93 Ų9354.2 Ų54.250%0.49729%0.293SS..Hα-helixtrans-62.4-35.8177.6-54.5-43.9000111.4I296 S297 L302 D303 D304I296-D300 HydrophobicContact CD1-CB 4.23Å; I296-D300 HydrophobicContact CG1-CB 3.71Å; S297-D300 VanDerWaalsContact CB-OD2 3.32Å; S297-D300 WeakPolarHBondContact CB-OD2 3.36Å; S297-D300 PolarHBondContact O-N 3.03Å; S297-D300 PolarHBondContact OG-N 3.44Å; S297-D300 VanDerWaalsContact OG-N 3.11Å; S297-D300 PolarHBondContact OG-OD2 3.48Å; D300-L302 VanDerWaalsContact C-N 3.34Å; D300-D303 PolarHBondContact O-N 2.91Å; D300-D304 PolarHBondContact O-N 3.18Å
301L95.9Very high92.7Very high0 Ų053.6 Ų53.60%029%0.289CS..Hα-helixtrans-63.8-38.8174.7-174.966.6000111.7F126 L130 V230 L283 M287 I296 S297 N299 D303 V307F126-L301 HydrophobicContact CZ-CD1 4.44Å; L130-L301 HydrophobicContact CD1-CD2 3.83Å; L130-L301 HydrophobicContact CD2-CD2 4.29Å; L130-L301 HydrophobicContact CD2-CG 4.41Å; V230-L301 HydrophobicContact CG1-CD2 4.3Å; V230-L301 HydrophobicContact CG2-CD2 4.19Å; L283-L301 HydrophobicContact CD2-CD1 3.95Å; M287-L301 HydrophobicContact CE-CD2 4.13Å; M287-L301 HydrophobicContact CG-CD1 4.28Å; M287-L301 HydrophobicContact SD-CD1 4.12Å; M287-L301 HydrophobicContact SD-CD2 4.32Å; I296-L301 HydrophobicContact CD1-CB 4.12Å; I296-L301 HydrophobicContact CD1-CD1 4.15Å; I296-L301 HydrophobicContact CG1-CB 4.35Å; S297-L301 WeakPolarHBondContact O-CB 3.49Å; S297-L301 PolarHBondContact O-N 3.38Å; N299-L301 PolarHBondContact O-N 3.11Å; L301-D303 VanDerWaalsContact C-N 3.35Å; L301-V307 HydrophobicContact CD1-CG2 3.85Å; L301-V307 HydrophobicContact CG-CG2 4.31Å; L301-V307 WeakPolarHBondContact O-CB 3.45Å; L301-V307 VanDerWaalsContact O-CG1 3.26Å; L301-V307 WeakPolarHBondContact O-CG1 3.39Å; L301-V307 WeakPolarHBondContact O-CG2 3.13Å
302L92.6Very high91.8Very high39 Ų3957.8 Ų57.820%0.20430%0.304CS..Hα-helixtrans-74.6-25.2177.5-69.8168.4000113.1L130 T134 L298 N299 D300 D304 Q308L130-L302 HydrophobicContact CD1-CD2 4.29Å; L130-L302 HydrophobicContact CD2-CD2 3.93Å; L130-L302 HydrophobicContact CG-CD2 3.92Å; T134-L302 HydrophobicContact CG2-CD1 3.75Å; T134-L302 WeakPolarHBondContact OG1-CD2 3.41Å; L298-L302 HydrophobicContact CD1-CD1 4.21Å; L298-L302 HydrophobicContact CD1-CG 4.32Å; L298-L302 HydrophobicContact CG-CD1 4.1Å; L298-L302 WeakPolarHBondContact O-CD1 3.38Å; L298-L302 WeakPolarHBondContact O-CG 3.16Å; L298-L302 PolarHBondContact O-N 3.43Å; N299-L302 PolarHBondContact O-N 2.98Å; D300-L302 VanDerWaalsContact C-N 3.34Å; L302-D304 VanDerWaalsContact C-N 3.33Å; L302-Q308 WeakPolarHBondContact O-CG 3.39Å; L302-Q308 PolarHBondContact O-NE2 3.37Å
303D93.6Very high90.6Very high117 Ų11762.7 Ų62.763%0.62632%0.323SS*.Hα-helixtrans-80.4-15.5176.6-71.3-20.9000112.7N299 D300 L301 L305 Q308N299-D303 PolarHBondContact O-N 3.18Å; D300-D303 PolarHBondContact O-N 2.91Å; L301-D303 VanDerWaalsContact C-N 3.35Å; D303-L305 PolarHBondContact O-N 3Å; D303-Q308 PolarHBondContact O-NE2 3.16Å
304D94.2Very high89.6Confident35 Ų3558.2 Ų58.219%0.18729%0.291CS..  trans-64.3129175.5-178.6-84.9000112.2L283 D300 L302 Y306 V307 Q308L283-D304 HydrophobicContact CD2-CB 4.41Å; D300-D304 PolarHBondContact O-N 3.18Å; L302-D304 VanDerWaalsContact C-N 3.33Å; D304-Y306 VanDerWaalsContact C-N 3.33Å; D304-Y306 PolarHBondContact O-N 3.49Å; D304-Y306 WeakPolarHBondContact OD1-CA 3.28Å; D304-Y306 VanDerWaalsContact OD1-CB 3.24Å; D304-Y306 WeakPolarHBondContact OD1-CB 3.38Å; D304-Y306 PolarHBondContact OD1-N 3.49Å; D304-V307 HydrophobicContact CB-CB 4.15Å; D304-V307 HydrophobicContact CB-CG2 3.98Å; D304-V307 PolarHBondContact O-N 3.34Å; D304-V307 PolarHBondContact OD1-N 2.96Å; D304-Q308 WeakPolarHBondContact O-CG 2.96Å; D304-Q308 PolarHBondContact O-N 2.73Å
305L91.8Very high88.2Confident130 Ų13055.8 Ų55.868%0.68128%0.282SS*.Hα-helixtrans-62-38.8-175.6-179.963000112.5D303 Q308 V309D303-L305 PolarHBondContact O-N 3Å; L305-Q308 PolarHBondContact O-N 2.75Å; L305-V309 WeakPolarHBondContact O-CG2 3.3Å; L305-V309 PolarHBondContact O-N 2.86Å; L305-V309 VanDerWaalsContact O-N 3.09Å
306Y91Very high86.7Confident52 Ų5256.1 Ų56.120%0.20429%0.285CS..Hα-helixtrans-67.5-41.7179176.2-99.2000110.4Y123 E279 L280 L283 D304 Q308 V309 L310Y123-Y306 WeakPolarHBondContact CE1-OH 3.44Å; Y123-Y306 PolarHBondContact OH-OH 3.06Å; E279-Y306 HydrophobicContact CB-CD1 3.92Å; E279-Y306 HydrophobicContact CB-CD2 3.71Å; E279-Y306 HydrophobicContact CB-CE1 4.16Å; E279-Y306 HydrophobicContact CB-CE2 4.01Å; E279-Y306 HydrophobicContact CB-CG 3.66Å; E279-Y306 HydrophobicContact CG-CD2 4.19Å; E279-Y306 HydrophobicContact CG-CG 4.4Å; L280-Y306 HydrophobicContact CB-CE1 4.06Å; L283-Y306 HydrophobicContact CD1-CD1 3.55Å; L283-Y306 HydrophobicContact CD1-CE1 4.15Å; D304-Y306 VanDerWaalsContact C-N 3.33Å; D304-Y306 PolarHBondContact O-N 3.49Å; D304-Y306 WeakPolarHBondContact OD1-CA 3.28Å; D304-Y306 VanDerWaalsContact OD1-CB 3.24Å; D304-Y306 WeakPolarHBondContact OD1-CB 3.38Å; D304-Y306 PolarHBondContact OD1-N 3.49Å; Y306-Q308 PolarHBondContact O-N 2.9Å; Y306-V309 PolarHBondContact O-N 3.19Å; Y306-L310 HydrophobicContact CD1-CD1 3.85Å; Y306-L310 HydrophobicContact CD1-CG 4.33Å; Y306-L310 HydrophobicContact CE1-CD1 3.38Å; Y306-L310 HydrophobicContact CE1-CG 4.02Å; Y306-L310 WeakPolarHBondContact O-CG 3.1Å; Y306-L310 PolarHBondContact O-N 3.43Å
307V92.4Very high85.3Confident0 Ų058.5 Ų58.50%030%0.296CS..Hα-helixtrans-61.4-43.8173.3175.20000111.7F126 L130 L283 L301 D304 V309 L310 M311F126-V307 HydrophobicContact CE1-CG1 4.27Å; F126-V307 HydrophobicContact CE1-CG2 4.15Å; F126-V307 HydrophobicContact CZ-CG2 4.28Å; L130-V307 HydrophobicContact CD2-CG1 3.36Å; L283-V307 HydrophobicContact CD1-CG2 3.55Å; L283-V307 HydrophobicContact CD2-CG2 4.36Å; L301-V307 HydrophobicContact CD1-CG2 3.85Å; L301-V307 HydrophobicContact CG-CG2 4.31Å; L301-V307 WeakPolarHBondContact O-CB 3.45Å; L301-V307 VanDerWaalsContact O-CG1 3.26Å; L301-V307 WeakPolarHBondContact O-CG1 3.39Å; L301-V307 WeakPolarHBondContact O-CG2 3.13Å; D304-V307 HydrophobicContact CB-CB 4.15Å; D304-V307 HydrophobicContact CB-CG2 3.98Å; D304-V307 PolarHBondContact O-N 3.34Å; D304-V307 PolarHBondContact OD1-N 2.96Å; V307-V309 VanDerWaalsContact C-N 3.26Å; V307-V309 PolarHBondContact O-N 3.34Å; V307-L310 PolarHBondContact O-N 2.98Å; V307-L310 VanDerWaalsContact O-N 3.15Å; V307-M311 HydrophobicContact CG1-CG 3.98Å; V307-M311 WeakPolarHBondContact O-CB 3.45Å; V307-M311 WeakPolarHBondContact O-CG 3.08Å; V307-M311 PolarHBondContact O-N 3.14Å
308Q89Confident83.9Confident79 Ų7964 Ų6437%0.36932%0.317SS..Hα-helixtrans-60-37176.9-71177.612.300112.5L302 D303 D304 L305 Y306 K312L302-Q308 WeakPolarHBondContact O-CG 3.39Å; L302-Q308 PolarHBondContact O-NE2 3.37Å; D303-Q308 PolarHBondContact O-NE2 3.16Å; D304-Q308 WeakPolarHBondContact O-CG 2.96Å; D304-Q308 PolarHBondContact O-N 2.73Å; L305-Q308 PolarHBondContact O-N 2.75Å; Y306-Q308 PolarHBondContact O-N 2.9Å; Q308-K312 WeakPolarHBondContact O-CG 3.48Å; Q308-K312 PolarHBondContact O-N 3.48Å; Q308-K312 VanDerWaalsContact O-N 3.16Å
309V85.4Confident82.6Confident65 Ų6565.2 Ų65.239%0.39432%0.323SS..Hα-helixtrans-66.2-47.9173.7173.10000110.7L305 Y306 V307 M311 K312 H313L305-V309 WeakPolarHBondContact O-CG2 3.3Å; L305-V309 PolarHBondContact O-N 2.86Å; L305-V309 VanDerWaalsContact O-N 3.09Å; Y306-V309 PolarHBondContact O-N 3.19Å; V307-V309 VanDerWaalsContact C-N 3.26Å; V307-V309 PolarHBondContact O-N 3.34Å; V309-M311 VanDerWaalsContact C-N 3.3Å; V309-M311 PolarHBondContact O-N 3.08Å; V309-K312 WeakPolarHBondContact O-CB 3.3Å; V309-K312 PolarHBondContact O-N 2.74Å; V309-H313 PolarHBondContact O-CD2 3.02Å
310L83.9Confident81.5Confident15 Ų1564.1 Ų64.18%0.07932%0.316CS..Hα-helixtrans-58.6-40.8176.1-71.5-179.8000112.6Y123 F126 Y306 V307 K312 H313 T314Y123-L310 HydrophobicContact CD1-CD1 4.27Å; Y123-L310 HydrophobicContact CD1-CD2 3.61Å; Y123-L310 HydrophobicContact CE1-CD2 4.18Å; Y123-L310 HydrophobicContact CG-CD2 3.8Å; F126-L310 HydrophobicContact CD1-CD1 3.92Å; F126-L310 HydrophobicContact CE1-CD1 4.17Å; Y306-L310 HydrophobicContact CD1-CD1 3.85Å; Y306-L310 HydrophobicContact CD1-CG 4.33Å; Y306-L310 HydrophobicContact CE1-CD1 3.38Å; Y306-L310 HydrophobicContact CE1-CG 4.02Å; Y306-L310 WeakPolarHBondContact O-CG 3.1Å; Y306-L310 PolarHBondContact O-N 3.43Å; V307-L310 PolarHBondContact O-N 2.98Å; V307-L310 VanDerWaalsContact O-N 3.15Å; L310-K312 VanDerWaalsContact C-N 3.33Å; L310-K312 PolarHBondContact O-N 3.12Å; L310-H313 PolarHBondContact O-N 3.35Å; L310-T314 PolarHBondContact O-N 3.01Å; L310-T314 PolarHBondContact O-OG1 3.3Å
311M83.5Confident80.6Confident34 Ų3463.7 Ų63.717%0.16731%0.307CS..Hα-helixtrans-65.3-34.3179.1-72.8-71.9-68.900112.4L130 T131 V307 V309 H313 T314 N315L130-M311 HydrophobicContact CB-SD 3.9Å; L130-M311 HydrophobicContact CD2-CG 4.28Å; L130-M311 HydrophobicContact CD2-SD 3.89Å; L130-M311 HydrophobicContact CG-SD 4.02Å; T131-M311 HydrophobicContact CG2-CE 4.15Å; T131-M311 WeakPolarHBondContact OG1-CE 3.26Å; V307-M311 HydrophobicContact CG1-CG 3.98Å; V307-M311 WeakPolarHBondContact O-CB 3.45Å; V307-M311 WeakPolarHBondContact O-CG 3.08Å; V307-M311 PolarHBondContact O-N 3.14Å; V309-M311 VanDerWaalsContact C-N 3.3Å; V309-M311 PolarHBondContact O-N 3.08Å; M311-H313 VanDerWaalsContact C-N 3.27Å; M311-H313 PolarHBondContact O-N 3.37Å; M311-T314 VanDerWaalsContact CA-OG1 3.32Å; M311-T314 WeakPolarHBondContact CA-OG1 3.39Å; M311-T314 CarbonylContact O-C 3.56Å; M311-T314 PolarHBondContact O-N 2.88Å; M311-T314 VanDerWaalsContact O-N 3.17Å; M311-T314 PolarHBondContact O-OG1 2.92Å; M311-N315 PolarHBondContact O-N 2.94Å; M311-N315 VanDerWaalsContact O-N 3.07Å
312K74.5Confident79.4Confident153 Ų15366 Ų6667%0.66533%0.325SS*.Hα-helixtrans-61.6-35.6174.1-75.3172.3-177.1176.40112.3Q308 V309 L310 T314Q308-K312 WeakPolarHBondContact O-CG 3.48Å; Q308-K312 PolarHBondContact O-N 3.48Å; Q308-K312 VanDerWaalsContact O-N 3.16Å; V309-K312 WeakPolarHBondContact O-CB 3.3Å; V309-K312 PolarHBondContact O-N 2.74Å; L310-K312 VanDerWaalsContact C-N 3.33Å; L310-K312 PolarHBondContact O-N 3.12Å; K312-T314 VanDerWaalsContact C-N 3.32Å
313H69.6Low78.5Confident143 Ų14367.3 Ų67.366%0.66233%0.33SS*.Hα-helixtrans-80.6-11.4178.2-66.9-69000114.1V309 L310 M311V309-H313 PolarHBondContact O-CD2 3.02Å; L310-H313 PolarHBondContact O-N 3.35Å; M311-H313 VanDerWaalsContact C-N 3.27Å; M311-H313 PolarHBondContact O-N 3.37Å
314T73.1Confident78Confident4 Ų462.8 Ų62.83%0.02530%0.304CS..THydrogen-bonded Turntrans-119.415.1-177.552.80000112.5Y72 R124 G127 L310 M311 K312 P316Y72-T314 PolarHBondContact OH-O 3.37Å; R124-T314 HydrophobicContact CG-CG2 4.48Å; G127-T314 VanDerWaalsContact CA-OG1 3.24Å; G127-T314 WeakPolarHBondContact CA-OG1 3.27Å; L310-T314 PolarHBondContact O-N 3.01Å; L310-T314 PolarHBondContact O-OG1 3.3Å; M311-T314 VanDerWaalsContact CA-OG1 3.32Å; M311-T314 WeakPolarHBondContact CA-OG1 3.39Å; M311-T314 CarbonylContact O-C 3.56Å; M311-T314 PolarHBondContact O-N 2.88Å; M311-T314 VanDerWaalsContact O-N 3.17Å; M311-T314 PolarHBondContact O-OG1 2.92Å; K312-T314 VanDerWaalsContact C-N 3.32Å; T314-P316 VanDerWaalsContact O-CD 3.31Å; T314-P316 WeakPolarHBondContact O-CD 3.16Å; T314-P316 VanDerWaalsContact O-N 3.17Å
315N67.1Low77.5Confident72 Ų7263 Ų6339%0.38531%0.308SS..  trans-59.9119.5-175.2-176.3-26.6000110.8M311 E317 F318 I319M311-N315 PolarHBondContact O-N 2.94Å; M311-N315 VanDerWaalsContact O-N 3.07Å; N315-E317 VanDerWaalsContact C-N 3.27Å; N315-E317 PolarHBondContact O-N 2.86Å; N315-E317 WeakPolarHBondContact OD1-CB 3.11Å; N315-E317 PolarHBondContact OD1-N 3.34Å; N315-F318 HydrophobicContact CB-CB 3.92Å; N315-F318 WeakPolarHBondContact O-CA 3.19Å; N315-F318 WeakPolarHBondContact O-CB 3.43Å; N315-F318 PolarHBondContact O-N 2.85Å; N315-I319 PolarHBondContact O-N 3.47Å
316P65.6Low76.8Confident10 Ų1062.4 Ų62.47%0.06530%0.304CS..Hα-helixtrans-52.4-41.4178.1-23.528.6000113.8P71 Y72 T131 T314 F318 I319 M320P71-P316 HydrophobicContact CB-CB 3.59Å; P71-P316 HydrophobicContact CG-CB 3.36Å; Y72-P316 HydrophobicContact CD2-CB 4.45Å; Y72-P316 HydrophobicContact CD2-CG 4.11Å; Y72-P316 HydrophobicContact CE2-CB 4Å; Y72-P316 HydrophobicContact CE2-CG 3.61Å; Y72-P316 WeakPolarHBondContact OH-CA 3.32Å; T131-P316 HydrophobicContact CG2-CG 3.23Å; T314-P316 VanDerWaalsContact O-CD 3.31Å; T314-P316 WeakPolarHBondContact O-CD 3.16Å; T314-P316 VanDerWaalsContact O-N 3.17Å; P316-F318 VanDerWaalsContact C-N 3.33Å; P316-I319 PolarHBondContact O-N 3.18Å; P316-M320 WeakPolarHBondContact O-CB 3.31Å; P316-M320 VanDerWaalsContact O-CG 3.29Å; P316-M320 WeakPolarHBondContact O-CG 3.45Å; P316-M320 PolarHBondContact O-N 3.32Å
317E66.8Low76.2Confident75 Ų7561 Ų6135%0.3530%0.301SS..Hα-helixtrans-66.6-39.3179.2-175.157.4-151.400110.7N315 R321 R324N315-E317 VanDerWaalsContact C-N 3.27Å; N315-E317 PolarHBondContact O-N 2.86Å; N315-E317 WeakPolarHBondContact OD1-CB 3.11Å; N315-E317 PolarHBondContact OD1-N 3.34Å; E317-R321 WeakPolarHBondContact O-CB 3.4Å; E317-R321 PolarHBondContact O-N 2.86Å; E317-R324 IonicContact OE1-NH2 3.74Å; E317-R324 PolarHBondContact OE1-NH2 3.48Å; E317-R324 VanDerWaalsContact OE1-NH2 3.08Å
318F66.7Low75.8Confident142 Ų14263.7 Ų63.762%0.62332%0.317SS*.Hα-helixtrans-63.8-45.1175.1-178.2-94.5000111.3N315 P316 R321 A322N315-F318 HydrophobicContact CB-CB 3.92Å; N315-F318 WeakPolarHBondContact O-CA 3.19Å; N315-F318 WeakPolarHBondContact O-CB 3.43Å; N315-F318 PolarHBondContact O-N 2.85Å; P316-F318 VanDerWaalsContact C-N 3.33Å; F318-R321 PolarHBondContact O-N 3.47Å; F318-A322 WeakPolarHBondContact O-CB 3.49Å; F318-A322 PolarHBondContact O-N 3.35Å
319I67.1Low75.6Confident27 Ų2761.2 Ų61.214%0.13831%0.31CS..Hα-helixtrans-67.4-42.8179-60.9-157.9000111.6Y72 N315 P316 R321 A322 K323Y72-I319 HydrophobicContact CE1-CB 4.17Å; Y72-I319 HydrophobicContact CE1-CD1 4.03Å; Y72-I319 HydrophobicContact CE1-CG1 4.45Å; Y72-I319 HydrophobicContact CE1-CG2 4.2Å; Y72-I319 WeakPolarHBondContact OH-CD1 3.4Å; Y72-I319 VanDerWaalsContact OH-CG1 3.26Å; Y72-I319 WeakPolarHBondContact OH-CG1 3.27Å; N315-I319 PolarHBondContact O-N 3.47Å; P316-I319 PolarHBondContact O-N 3.18Å; I319-R321 VanDerWaalsContact C-N 3.35Å; I319-A322 WeakPolarHBondContact O-CB 3.2Å; I319-A322 PolarHBondContact O-N 2.98Å; I319-K323 PolarHBondContact O-N 3.02Å
320M71.5Confident75.7Confident62 Ų6262.1 Ų62.131%0.30533%0.325SS..Hα-helixtrans-63.8-44.6176.6-71.4-65.5-81.800111.3P71 P316 A322 K323 R324P71-M320 HydrophobicContact CB-CG 3.26Å; P71-M320 HydrophobicContact CB-SD 3.77Å; P71-M320 HydrophobicContact CG-CG 3.48Å; P71-M320 VanDerWaalsContact CG-CG 3.48Å; P71-M320 HydrophobicContact CG-SD 4.45Å; P316-M320 WeakPolarHBondContact O-CB 3.31Å; P316-M320 VanDerWaalsContact O-CG 3.29Å; P316-M320 WeakPolarHBondContact O-CG 3.45Å; P316-M320 PolarHBondContact O-N 3.32Å; M320-A322 VanDerWaalsContact C-N 3.3Å; M320-A322 PolarHBondContact O-N 3.01Å; M320-K323 WeakPolarHBondContact O-CB 3.3Å; M320-K323 PolarHBondContact O-N 3.02Å; M320-R324 WeakPolarHBondContact O-CG 3.32Å; M320-R324 PolarHBondContact O-N 3.44Å
321R77.2Confident75.6Confident84 Ų8467.4 Ų67.432%0.31735%0.349SS..Hα-helixtrans-58.4-46.5174.3-173.5173.6-174.1-157.7-3.1110.8E317 F318 I319 K323 R324 C325 E354E317-R321 WeakPolarHBondContact O-CB 3.4Å; E317-R321 PolarHBondContact O-N 2.86Å; F318-R321 PolarHBondContact O-N 3.47Å; I319-R321 VanDerWaalsContact C-N 3.35Å; R321-K323 VanDerWaalsContact C-N 3.29Å; R321-K323 PolarHBondContact O-N 2.94Å; R321-R324 CarbonylContact O-C 3.52Å; R321-R324 WeakPolarHBondContact O-CA 3.35Å; R321-R324 WeakPolarHBondContact O-CB 3.5Å; R321-R324 PolarHBondContact O-N 3.13Å; R321-C325 WeakPolarHBondContact O-CB 3.44Å; R321-C325 PolarHBondContact O-N 3.45Å; R321-C325 PolarHBondContact O-SG 2.9Å; R321-E354 WeakPolarHBondContact CG-OE2 3.3Å; R321-E354 IonicContact CZ-OE1 3.99Å; R321-E354 VanDerWaalsContact CZ-OE1 3.32Å; R321-E354 IonicContact NE-OE1 2.74Å; R321-E354 PolarHBondContact NE-OE1 3.32Å; R321-E354 IonicContact NE-OE2 2.68Å; R321-E354 PolarHBondContact NE-OE2 3.11Å; R321-E354 IonicContact NH2-OE1 3.57Å; R321-E354 PolarHBondContact NH2-OE1 3.07Å
322A71Confident75.9Confident47 Ų4769.3 Ų69.339%0.38836%0.356SS..Hα-helixtrans-54.3-46.3175.800000111.2F318 I319 M320 R324 C325 I326F318-A322 WeakPolarHBondContact O-CB 3.49Å; F318-A322 PolarHBondContact O-N 3.35Å; I319-A322 WeakPolarHBondContact O-CB 3.2Å; I319-A322 PolarHBondContact O-N 2.98Å; M320-A322 VanDerWaalsContact C-N 3.3Å; M320-A322 PolarHBondContact O-N 3.01Å; A322-R324 PolarHBondContact O-N 3.28Å; A322-C325 CarbonylContact O-C 3.59Å; A322-C325 WeakPolarHBondContact O-CA 3.03Å; A322-C325 PolarHBondContact O-N 3.25Å; A322-I326 WeakPolarHBondContact O-CG1 3.41Å; A322-I326 PolarHBondContact O-N 2.9Å
323K74.1Confident76.7Confident68 Ų6866.2 Ų66.230%0.29635%0.352SS..Hα-helixtrans-59.5-43.3174.3-71.6-179.7179.41790113.1F159 I319 M320 R321 C325 I326F159-K323 VanDerWaalsContact CZ-NZ 3.31Å; I319-K323 PolarHBondContact O-N 3.02Å; M320-K323 WeakPolarHBondContact O-CB 3.3Å; M320-K323 PolarHBondContact O-N 3.02Å; R321-K323 VanDerWaalsContact C-N 3.29Å; R321-K323 PolarHBondContact O-N 2.94Å; K323-C325 PolarHBondContact O-N 2.91Å; K323-I326 HydrophobicContact CB-CD1 4.45Å; K323-I326 HydrophobicContact CG-CD1 4.34Å; K323-I326 WeakPolarHBondContact O-CB 3.41Å; K323-I326 PolarHBondContact O-N 3.16Å
324R82.6Confident77.9Confident22 Ų2259.8 Ų59.88%0.08332%0.322CS..Hα-helixtrans-64.6-28.3175.3-64.4-171.2-57.6-101.83.2112E317 M320 R321 A322 Q352 H353 E354 L390E317-R324 IonicContact OE1-NH2 3.74Å; E317-R324 PolarHBondContact OE1-NH2 3.48Å; E317-R324 VanDerWaalsContact OE1-NH2 3.08Å; M320-R324 WeakPolarHBondContact O-CG 3.32Å; M320-R324 PolarHBondContact O-N 3.44Å; R321-R324 CarbonylContact O-C 3.52Å; R321-R324 WeakPolarHBondContact O-CA 3.35Å; R321-R324 WeakPolarHBondContact O-CB 3.5Å; R321-R324 PolarHBondContact O-N 3.13Å; A322-R324 PolarHBondContact O-N 3.28Å; R324-Q352 VanDerWaalsContact CB-O 3.24Å; R324-Q352 WeakPolarHBondContact CB-O 3.33Å; R324-Q352 WeakPolarHBondContact CG-O 3.49Å; R324-H353 CarbonylContact O-C 3.42Å; R324-H353 WeakPolarHBondContact O-CA 3.34Å; R324-E354 HydrophobicContact CB-CB 4.09Å; R324-E354 PolarHBondContact O-N 2.59Å; R324-L390 PolarHBondContact NH2-O 2.96Å
325C82.7Confident78.9Confident39 Ų3961.2 Ų61.226%0.26433%0.331SS..Hα-helixtrans-89-5.8177.1-65.80000114.4R321 A322 K323 N355R321-C325 WeakPolarHBondContact O-CB 3.44Å; R321-C325 PolarHBondContact O-N 3.45Å; R321-C325 PolarHBondContact O-SG 2.9Å; A322-C325 CarbonylContact O-C 3.59Å; A322-C325 WeakPolarHBondContact O-CA 3.03Å; A322-C325 PolarHBondContact O-N 3.25Å; K323-C325 PolarHBondContact O-N 2.91Å; C325-N355 PolarHBondContact O-ND2 3.25Å
326I77.3Confident79.9Confident117 Ų11760.7 Ų60.760%0.633%0.33SS*.Hα-helixtrans-60.3-48.7179.1-73.5171.5000110A322 K323 T328A322-I326 WeakPolarHBondContact O-CG1 3.41Å; A322-I326 PolarHBondContact O-N 2.9Å; K323-I326 HydrophobicContact CB-CD1 4.45Å; K323-I326 HydrophobicContact CG-CD1 4.34Å; K323-I326 WeakPolarHBondContact O-CB 3.41Å; K323-I326 PolarHBondContact O-N 3.16Å; I326-T328 PolarHBondContact O-N 3.48Å
327V79.4Confident81.1Confident24 Ų2468.1 Ų68.115%0.14537%0.37CS..SBendtrans-74123.8-178.6179.80000109.2E331 K332 H353 N355V327-E331 VanDerWaalsContact CA-OE2 3.3Å; V327-E331 WeakPolarHBondContact CA-OE2 3.35Å; V327-E331 HydrophobicContact CG1-CB 4.49Å; V327-K332 HydrophobicContact CG1-CB 4.42Å; V327-K332 HydrophobicContact CG1-CD 3.87Å; V327-K332 HydrophobicContact CG1-CG 3.88Å; V327-H353 HydrophobicContact CB-CB 4.15Å; V327-H353 HydrophobicContact CG1-CB 4.44Å; V327-H353 VanDerWaalsContact CG2-CE1 3.41Å; V327-H353 WeakPolarHBondContact CG2-CE1 3.39Å; V327-H353 WeakPolarHBondContact CG2-ND1 3.41Å; V327-N355 PolarHBondContact O-ND2 3.41Å
328T83.6Confident82.1Confident56 Ų5668.6 Ų68.634%0.34438%0.375SS..  trans-90.7154.8-177.971.90000111.3I326 A330 E331 K332I326-T328 PolarHBondContact O-N 3.48Å; T328-A330 PolarHBondContact O-N 3.39Å; T328-A330 VanDerWaalsContact O-N 3.09Å; T328-A330 PolarHBondContact OG1-N 2.74Å; T328-E331 PolarHBondContact N-OE2 2.87Å; T328-E331 PolarHBondContact O-N 3.32Å; T328-E331 WeakPolarHBondContact OG1-CG 2.94Å; T328-E331 PolarHBondContact OG1-N 3.19Å; T328-K332 PolarHBondContact O-N 3.02Å
329A85.5Confident83.1Confident26 Ų2665.6 Ų65.622%0.21537%0.368CS..THydrogen-bonded Turntrans-65.6-8.5172.200000113.4P333 K359A329-P333 WeakPolarHBondContact O-CA 3.33Å; A329-K359 HydrophobicContact CB-CD 3.98Å
330A86.3Confident84Confident85 Ų8566.8 Ų66.870%0.70237%0.374SS*.THydrogen-bonded Turntrans-86.1-40172.900000111.9T328 K332T328-A330 PolarHBondContact O-N 3.39Å; T328-A330 VanDerWaalsContact O-N 3.09Å; T328-A330 PolarHBondContact OG1-N 2.74Å; A330-K332 VanDerWaalsContact C-N 3.32Å
331E81.8Confident84.7Confident126 Ų12669.3 Ų69.359%0.58939%0.385SS*.THydrogen-bonded Turntrans-65.7-36.8175.6-71.7167.9161.600112V327 T328V327-E331 VanDerWaalsContact CA-OE2 3.3Å; V327-E331 WeakPolarHBondContact CA-OE2 3.35Å; V327-E331 HydrophobicContact CG1-CB 4.49Å; T328-E331 PolarHBondContact N-OE2 2.87Å; T328-E331 PolarHBondContact O-N 3.32Å; T328-E331 WeakPolarHBondContact OG1-CG 2.94Å; T328-E331 PolarHBondContact OG1-N 3.19Å
332K89.2Confident85.2Confident74 Ų7466.4 Ų66.432%0.32238%0.378SS..SBendtrans-124.682.5175.5-61.5-166.7-178.21790109.5V327 T328 A330 Y346 N350 H353V327-K332 HydrophobicContact CG1-CB 4.42Å; V327-K332 HydrophobicContact CG1-CD 3.87Å; V327-K332 HydrophobicContact CG1-CG 3.88Å; T328-K332 PolarHBondContact O-N 3.02Å; A330-K332 VanDerWaalsContact C-N 3.32Å; K332-Y346 PolarHBondContact O-OH 3.33Å; K332-N350 WeakPolarHBondContact CD-OD1 3.47Å; K332-N350 PolarHBondContact NZ-OD1 2.96Å; K332-N350 VanDerWaalsContact NZ-OD1 3.17Å; K332-H353 PolarHBondContact NZ-CD2 3.37Å; K332-H353 VanDerWaalsContact NZ-CD2 3.34Å; K332-H353 PolarHBondContact NZ-NE2 3.44Å
333P92.6Very high86.2Confident87 Ų8765 Ų6557%0.56536%0.363SS*.  trans-66.8135-176.126.7-33.5000111.8A329 Y346A329-P333 WeakPolarHBondContact O-CA 3.33Å; P333-Y346 VanDerWaalsContact O-CE2 3.31Å; P333-Y346 WeakPolarHBondContact O-CE2 3.26Å
334F94.9Very high86.8Confident9 Ų962.5 Ų62.54%0.03935%0.353CS..  trans-66.4128.8173179.2-113.2000110.5V336 K343 Y346 K359 A360 W363 F364F334-V336 VanDerWaalsContact C-N 3.3Å; F334-V336 HydrophobicContact CD1-CG2 3.63Å; F334-V336 HydrophobicContact CE1-CG2 4.17Å; F334-V336 PolarHBondContact O-N 3.18Å; F334-K343 HydrophobicContact CE1-CG 4.5Å; F334-K343 HydrophobicContact CE2-CB 4.09Å; F334-K343 HydrophobicContact CE2-CG 4.13Å; F334-K343 HydrophobicContact CZ-CB 3.97Å; F334-K343 HydrophobicContact CZ-CD 4.21Å; F334-K343 HydrophobicContact CZ-CG 3.73Å; F334-Y346 HydrophobicContact CB-CE1 4.32Å; F334-Y346 AromaticContact CD2-CD1 3.55Å; F334-Y346 HydrophobicContact CD2-CD1 3.55Å; F334-Y346 AromaticContact CD2-CE1 3.78Å; F334-Y346 HydrophobicContact CD2-CE1 3.78Å; F334-Y346 AromaticContact CD2-CG 3.94Å; F334-Y346 HydrophobicContact CD2-CG 3.94Å; F334-Y346 HydrophobicContact CE2-CD1 4.15Å; F334-Y346 HydrophobicContact CE2-CG 4.49Å; F334-K359 HydrophobicContact CB-CD 3.97Å; F334-K359 HydrophobicContact CB-CG 4.06Å; F334-A360 HydrophobicContact CD2-CB 3.62Å; F334-A360 HydrophobicContact CE2-CB 3.59Å; F334-A360 HydrophobicContact CG-CB 4.4Å; F334-A360 HydrophobicContact CZ-CB 4.35Å; F334-W363 HydrophobicContact CD1-CB 4.35Å; F334-W363 HydrophobicContact CD1-CG 4.31Å; F334-W363 HydrophobicContact CE1-CB 3.74Å; F334-W363 AromaticContact CE1-CD2 3.62Å; F334-W363 HydrophobicContact CE1-CD2 3.62Å; F334-W363 AromaticContact CE1-CE3 3.99Å; F334-W363 HydrophobicContact CE1-CE3 3.99Å; F334-W363 AromaticContact CE1-CG 3.48Å; F334-W363 HydrophobicContact CE1-CG 3.48Å; F334-W363 VanDerWaalsContact CE1-CG 3.48Å; F334-W363 HydrophobicContact CZ-CB 4.33Å; F334-W363 HydrophobicContact CZ-CD2 4.03Å; F334-W363 AromaticContact CZ-CE3 3.9Å; F334-W363 HydrophobicContact CZ-CE3 3.9Å; F334-W363 HydrophobicContact CZ-CG 4.21Å; F334-F364 HydrophobicContact CE2-CE2 4.49Å; F334-F364 HydrophobicContact CZ-CE2 4.47Å
335P93.1Very high87.1Confident33 Ų3367 Ų6721%0.21437%0.374CS..  trans-78.671.4-174.833.2-38.6000112.4N337 D338 K343 Y346P335-N337 VanDerWaalsContact C-N 3.32Å; P335-N337 PolarHBondContact O-N 3.24Å; P335-D338 HydrophobicContact CB-CB 3.75Å; P335-D338 PolarHBondContact O-N 3.46Å; P335-K343 HydrophobicContact CG-CG 4.39Å; P335-K343 VanDerWaalsContact O-CE 3.28Å; P335-K343 WeakPolarHBondContact O-CE 3.32Å; P335-Y346 VanDerWaalsContact CD-CD2 3.47Å; P335-Y346 HydrophobicContact CG-CD2 4.36Å; P335-Y346 HydrophobicContact CG-CG 4.47Å
336V89.6Confident87.6Confident61 Ų6166 Ų6637%0.3736%0.364SS..THydrogen-bonded Turntrans-55.9-41.6-174.5176.50000113.2F334 K343F334-V336 VanDerWaalsContact C-N 3.3Å; F334-V336 HydrophobicContact CD1-CG2 3.63Å; F334-V336 HydrophobicContact CE1-CG2 4.17Å; F334-V336 PolarHBondContact O-N 3.18Å; V336-K343 WeakPolarHBondContact O-CE 3.46Å; V336-K343 PolarHBondContact O-NZ 3.29Å
337N89.5Confident88.2Confident167 Ų16760.8 Ų60.889%0.89334%0.338SS*.THydrogen-bonded Turntrans-924.9-174.7-63.2-24.4000113.8P335P335-N337 VanDerWaalsContact C-N 3.32Å; P335-N337 PolarHBondContact O-N 3.24Å
338D88.4Confident88.6Confident85 Ų8564 Ų6446%0.45535%0.351SS..SBendtrans-92175.2-176.3-150.5-36.9000111.6P335 A342 K343P335-D338 HydrophobicContact CB-CB 3.75Å; P335-D338 PolarHBondContact O-N 3.46Å; D338-A342 HydrophobicContact CB-CB 3.87Å; D338-A342 WeakPolarHBondContact OD1-CB 3.46Å; D338-K343 WeakPolarHBondContact O-CE 3.37Å; D338-K343 PolarHBondContact O-NZ 2.92Å
339T88.1Confident88.8Confident79 Ų7965.7 Ų65.749%0.48536%0.358SS..  trans-54.2156.1173.460.60000112.2E341 A342 K343T339-E341 PolarHBondContact O-N 2.94Å; T339-A342 PolarHBondContact O-N 3.43Å; T339-A342 WeakPolarHBondContact OG1-CB 3.39Å; T339-A342 PolarHBondContact OG1-N 2.76Å; T339-K343 PolarHBondContact O-N 2.82Å
340M85.3Confident89Confident52 Ų5265.1 Ų65.126%0.25635%0.351SS..Hα-helixtrans-64-35.2177.6-16756.37100111.5K343 I344 W363 F364 L376M340-K343 PolarHBondContact O-N 3.13Å; M340-K343 HydrophobicContact SD-CB 4.46Å; M340-K343 HydrophobicContact SD-CD 4.11Å; M340-I344 HydrophobicContact CG-CD1 4.42Å; M340-I344 WeakPolarHBondContact O-CG1 3.43Å; M340-I344 PolarHBondContact O-N 2.78Å; M340-W363 HydrophobicContact CE-CH2 4.11Å; M340-W363 HydrophobicContact CE-CZ3 4.26Å; M340-W363 HydrophobicContact SD-CZ3 4.43Å; M340-F364 HydrophobicContact SD-CE1 3.7Å; M340-L376 HydrophobicContact CE-CD2 3.52Å; M340-L376 HydrophobicContact CG-CD1 3.47Å; M340-L376 VanDerWaalsContact CG-CD1 3.47Å; M340-L376 HydrophobicContact CG-CD2 3.81Å; M340-L376 HydrophobicContact CG-CG 4.23Å; M340-L376 HydrophobicContact SD-CD1 3.7Å; M340-L376 HydrophobicContact SD-CD2 3.27Å; M340-L376 WeakPolarHBondContact SD-CD2 3.33Å; M340-L376 HydrophobicContact SD-CG 4.12Å
341E85.8Confident89.2Confident115 Ų11566.7 Ų66.754%0.53734%0.339SS..Hα-helixtrans-59.6-44.3174.5-71.565.1-148.200111.6T339 K343 I344 K345 R379T339-E341 PolarHBondContact O-N 2.94Å; E341-K343 VanDerWaalsContact C-N 3.33Å; E341-K343 PolarHBondContact O-N 3.09Å; E341-I344 PolarHBondContact O-N 3.46Å; E341-K345 VanDerWaalsContact O-CB 3.26Å; E341-K345 WeakPolarHBondContact O-CB 3.29Å; E341-K345 PolarHBondContact O-N 3.26Å; E341-R379 IonicContact OE1-NH1 2.95Å
342A89.1Confident89.4Confident22 Ų2265.5 Ų65.518%0.18233%0.333CS..Hα-helixtrans-63.4-38.5175.800000112.2D338 T339 K345 Y346D338-A342 HydrophobicContact CB-CB 3.87Å; D338-A342 WeakPolarHBondContact OD1-CB 3.46Å; T339-A342 PolarHBondContact O-N 3.43Å; T339-A342 WeakPolarHBondContact OG1-CB 3.39Å; T339-A342 PolarHBondContact OG1-N 2.76Å; A342-K345 PolarHBondContact O-N 3.44Å; A342-Y346 WeakPolarHBondContact O-CB 3.38Å; A342-Y346 PolarHBondContact O-N 3.21Å
343K90.5Very high89.5Confident17 Ų1763.6 Ų63.67%0.07433%0.325CS..Hα-helixtrans-67.5-41.5176.8-67.4165.1170.8138.90112.6F334 P335 V336 D338 T339 M340 E341 Y346 L347 W363 F364F334-K343 HydrophobicContact CE1-CG 4.5Å; F334-K343 HydrophobicContact CE2-CB 4.09Å; F334-K343 HydrophobicContact CE2-CG 4.13Å; F334-K343 HydrophobicContact CZ-CB 3.97Å; F334-K343 HydrophobicContact CZ-CD 4.21Å; F334-K343 HydrophobicContact CZ-CG 3.73Å; P335-K343 HydrophobicContact CG-CG 4.39Å; P335-K343 VanDerWaalsContact O-CE 3.28Å; P335-K343 WeakPolarHBondContact O-CE 3.32Å; V336-K343 WeakPolarHBondContact O-CE 3.46Å; V336-K343 PolarHBondContact O-NZ 3.29Å; D338-K343 WeakPolarHBondContact O-CE 3.37Å; D338-K343 PolarHBondContact O-NZ 2.92Å; T339-K343 PolarHBondContact O-N 2.82Å; M340-K343 PolarHBondContact O-N 3.13Å; M340-K343 HydrophobicContact SD-CB 4.46Å; M340-K343 HydrophobicContact SD-CD 4.11Å; E341-K343 VanDerWaalsContact C-N 3.33Å; E341-K343 PolarHBondContact O-N 3.09Å; K343-Y346 WeakPolarHBondContact O-CB 3.37Å; K343-Y346 PolarHBondContact O-N 2.65Å; K343-L347 PolarHBondContact O-N 3.45Å; K343-W363 HydrophobicContact CD-CE3 4.33Å; K343-W363 HydrophobicContact CD-CH2 3.65Å; K343-W363 HydrophobicContact CD-CZ2 4.26Å; K343-W363 HydrophobicContact CD-CZ3 3.68Å; K343-F364 HydrophobicContact CB-CE1 4.23Å; K343-F364 HydrophobicContact CB-CZ 3.7Å
344I87.6Confident89.5Confident17 Ų1759.5 Ų59.59%0.08730%0.299CS..Hα-helixtrans-65.1-45.8173.7-64.1169.2000109.9M340 E341 Y346 L347 H348 L376 L380M340-I344 HydrophobicContact CG-CD1 4.42Å; M340-I344 WeakPolarHBondContact O-CG1 3.43Å; M340-I344 PolarHBondContact O-N 2.78Å; E341-I344 PolarHBondContact O-N 3.46Å; I344-Y346 PolarHBondContact O-N 2.8Å; I344-L347 WeakPolarHBondContact O-CB 3.47Å; I344-L347 PolarHBondContact O-N 3.38Å; I344-H348 PolarHBondContact O-CD2 3.35Å; I344-H348 VanDerWaalsContact O-CD2 3.25Å; I344-H348 PolarHBondContact O-N 3.3Å; I344-L376 HydrophobicContact CD1-CD1 3.42Å; I344-L376 VanDerWaalsContact CD1-CD1 3.42Å; I344-L376 HydrophobicContact CG1-CD1 3.71Å; I344-L380 HydrophobicContact CG1-CD2 4.29Å
345K88.6Confident89.3Confident117 Ų11761.3 Ų61.351%0.50931%0.309SS..Hα-helixtrans-56.9-39.9176-179.3177.1169.954.90111.6E341 A342 L347 H348 D349E341-K345 VanDerWaalsContact O-CB 3.26Å; E341-K345 WeakPolarHBondContact O-CB 3.29Å; E341-K345 PolarHBondContact O-N 3.26Å; A342-K345 PolarHBondContact O-N 3.44Å; K345-L347 VanDerWaalsContact C-N 3.31Å; K345-L347 PolarHBondContact O-N 2.98Å; K345-H348 WeakPolarHBondContact O-CB 3.44Å; K345-H348 PolarHBondContact O-N 3.05Å; K345-H348 VanDerWaalsContact O-N 3.11Å; K345-D349 VanDerWaalsContact CE-OD2 3.25Å; K345-D349 WeakPolarHBondContact CE-OD2 3.35Å; K345-D349 WeakPolarHBondContact CG-OD2 3.11Å; K345-D349 IonicContact NZ-OD1 3.8Å; K345-D349 IonicContact NZ-OD2 2.75Å; K345-D349 PolarHBondContact NZ-OD2 3.29Å; K345-D349 WeakPolarHBondContact O-CB 3.43Å; K345-D349 PolarHBondContact O-N 2.76Å
346Y92.5Very high89.4Confident18 Ų1859.7 Ų59.77%0.07130%0.298CS..Hα-helixtrans-58.8-40.2175.2-179.6-82.9000112.7K332 P333 F334 P335 A342 K343 I344 D349 N350 C356 A360K332-Y346 PolarHBondContact O-OH 3.33Å; P333-Y346 VanDerWaalsContact O-CE2 3.31Å; P333-Y346 WeakPolarHBondContact O-CE2 3.26Å; F334-Y346 HydrophobicContact CB-CE1 4.32Å; F334-Y346 AromaticContact CD2-CD1 3.55Å; F334-Y346 HydrophobicContact CD2-CD1 3.55Å; F334-Y346 AromaticContact CD2-CE1 3.78Å; F334-Y346 HydrophobicContact CD2-CE1 3.78Å; F334-Y346 AromaticContact CD2-CG 3.94Å; F334-Y346 HydrophobicContact CD2-CG 3.94Å; F334-Y346 HydrophobicContact CE2-CD1 4.15Å; F334-Y346 HydrophobicContact CE2-CG 4.49Å; P335-Y346 VanDerWaalsContact CD-CD2 3.47Å; P335-Y346 HydrophobicContact CG-CD2 4.36Å; P335-Y346 HydrophobicContact CG-CG 4.47Å; A342-Y346 WeakPolarHBondContact O-CB 3.38Å; A342-Y346 PolarHBondContact O-N 3.21Å; K343-Y346 WeakPolarHBondContact O-CB 3.37Å; K343-Y346 PolarHBondContact O-N 2.65Å; I344-Y346 PolarHBondContact O-N 2.8Å; Y346-D349 PolarHBondContact O-N 3.16Å; Y346-N350 WeakPolarHBondContact CD2-ND2 3.35Å; Y346-N350 HydrophobicContact CE1-CB 4.37Å; Y346-N350 VanDerWaalsContact O-CB 3.31Å; Y346-N350 WeakPolarHBondContact O-CB 3.36Å; Y346-N350 PolarHBondContact O-N 3.37Å; Y346-N350 VanDerWaalsContact O-N 3.07Å; Y346-N350 PolarHBondContact O-ND2 2.81Å; Y346-C356 HydrophobicContact CE1-CB 4.09Å; Y346-C356 WeakPolarHBondContact OH-CB 3.43Å; Y346-A360 HydrophobicContact CD1-CB 4.06Å; Y346-A360 HydrophobicContact CE1-CB 4.08Å
347L90.5Very high89.7Confident7 Ų756.8 Ų56.84%0.03728%0.281CS..Hα-helixtrans-62-44.5173.7-72.6174.8000111.4K343 I344 K345 N350 W351 I357 A360 V361 F364 L380 L387K343-L347 PolarHBondContact O-N 3.45Å; I344-L347 WeakPolarHBondContact O-CB 3.47Å; I344-L347 PolarHBondContact O-N 3.38Å; K345-L347 VanDerWaalsContact C-N 3.31Å; K345-L347 PolarHBondContact O-N 2.98Å; L347-N350 PolarHBondContact O-N 2.93Å; L347-W351 WeakPolarHBondContact O-CA 3.41Å; L347-W351 WeakPolarHBondContact O-CB 3.03Å; L347-W351 PolarHBondContact O-N 3.09Å; L347-I357 HydrophobicContact CD2-CD1 3.62Å; L347-A360 HydrophobicContact CD2-CB 3.49Å; L347-A360 VanDerWaalsContact CD2-CB 3.49Å; L347-A360 HydrophobicContact CG-CB 4.25Å; L347-V361 HydrophobicContact CD2-CG2 4.03Å; L347-F364 HydrophobicContact CD1-CD2 3.92Å; L347-F364 HydrophobicContact CD1-CE2 3.37Å; L347-F364 HydrophobicContact CD1-CZ 4.18Å; L347-F364 HydrophobicContact CD2-CE2 4.39Å; L347-F364 HydrophobicContact CG-CE2 3.83Å; L347-L380 HydrophobicContact CD1-CD2 3.45Å; L347-L380 VanDerWaalsContact CD1-CD2 3.45Å; L347-L387 HydrophobicContact CD2-CD1 4.3Å
348H87.3Confident90Very high91 Ų9151.5 Ų51.542%0.42125%0.251SS..Hα-helixtrans-63.2-41.6177.9-75.4-80.3000112.9I344 K345 N350 W351 H383I344-H348 PolarHBondContact O-CD2 3.35Å; I344-H348 VanDerWaalsContact O-CD2 3.25Å; I344-H348 PolarHBondContact O-N 3.3Å; K345-H348 WeakPolarHBondContact O-CB 3.44Å; K345-H348 PolarHBondContact O-N 3.05Å; K345-H348 VanDerWaalsContact O-N 3.11Å; H348-N350 VanDerWaalsContact C-N 3.31Å; H348-N350 PolarHBondContact O-N 2.97Å; H348-W351 VanDerWaalsContact O-CD1 3.27Å; H348-H383 AromaticContact CE1-CD2 3.52Å; H348-H383 AromaticContact CE1-CE1 3.61Å; H348-H383 AromaticContact CE1-NE2 2.91Å; H348-H383 PolarHBondContact CE1-NE2 3.31Å; H348-H383 AromaticContact ND1-CD2 3.88Å; H348-H383 AromaticContact ND1-NE2 3.68Å; H348-H383 AromaticContact NE2-CE1 3.93Å; H348-H383 AromaticContact NE2-NE2 3.65Å
349D88.2Confident90.3Very high92 Ų9252 Ų5249%0.49225%0.249SC..Hα-helixtrans-78.7-19.3-175.4-66-11.5000111.6K345 Y346K345-D349 VanDerWaalsContact CE-OD2 3.25Å; K345-D349 WeakPolarHBondContact CE-OD2 3.35Å; K345-D349 WeakPolarHBondContact CG-OD2 3.11Å; K345-D349 IonicContact NZ-OD1 3.8Å; K345-D349 IonicContact NZ-OD2 2.75Å; K345-D349 PolarHBondContact NZ-OD2 3.29Å; K345-D349 WeakPolarHBondContact O-CB 3.43Å; K345-D349 PolarHBondContact O-N 2.76Å; Y346-D349 PolarHBondContact O-N 3.16Å
350N90.6Very high90.6Very high13 Ų1348.2 Ų48.27%0.0723%0.226CC..Hα-helixtrans-124.513.6-173.1-59.9-72.1000115K332 Y346 L347 H348 Q352 H353 C356 I357K332-N350 WeakPolarHBondContact CD-OD1 3.47Å; K332-N350 PolarHBondContact NZ-OD1 2.96Å; K332-N350 VanDerWaalsContact NZ-OD1 3.17Å; Y346-N350 WeakPolarHBondContact CD2-ND2 3.35Å; Y346-N350 HydrophobicContact CE1-CB 4.37Å; Y346-N350 VanDerWaalsContact O-CB 3.31Å; Y346-N350 WeakPolarHBondContact O-CB 3.36Å; Y346-N350 PolarHBondContact O-N 3.37Å; Y346-N350 VanDerWaalsContact O-N 3.07Å; Y346-N350 PolarHBondContact O-ND2 2.81Å; L347-N350 PolarHBondContact O-N 2.93Å; H348-N350 VanDerWaalsContact C-N 3.31Å; H348-N350 PolarHBondContact O-N 2.97Å; N350-Q352 PolarHBondContact O-N 3.25Å; N350-H353 PolarHBondContact O-N 3.42Å; N350-C356 HydrophobicContact CB-CB 4.09Å; N350-I357 HydrophobicContact CB-CD1 4.47Å; N350-I357 WeakPolarHBondContact O-CD1 3.46Å; N350-I357 VanDerWaalsContact O-CG1 3.27Å; N350-I357 WeakPolarHBondContact O-CG1 3.4Å
351W89.8Confident91Very high119 Ų11945.8 Ų45.845%0.45121%0.214SC..THydrogen-bonded Turntrans-51.9-27.8-174.471-83.7000114.9L347 H348 L387 L390 H391L347-W351 WeakPolarHBondContact O-CA 3.41Å; L347-W351 WeakPolarHBondContact O-CB 3.03Å; L347-W351 PolarHBondContact O-N 3.09Å; H348-W351 VanDerWaalsContact O-CD1 3.27Å; W351-L387 HydrophobicContact CB-CD2 3.89Å; W351-L390 HydrophobicContact CE3-CD2 3.53Å; W351-L390 HydrophobicContact CZ3-CD2 3.51Å; W351-H391 PolarHBondContact O-NE2 3.26Å
352Q87.1Confident91.5Very high101 Ų10142.1 Ų42.147%0.47220%0.199SC..THydrogen-bonded Turntrans-79.6-17.9178.7-59.7-176.3-6.400114.1R324 N350R324-Q352 VanDerWaalsContact CB-O 3.24Å; R324-Q352 WeakPolarHBondContact CB-O 3.33Å; R324-Q352 WeakPolarHBondContact CG-O 3.49Å; N350-Q352 PolarHBondContact O-N 3.25Å
353H89.8Confident91.7Very high33 Ų3343 Ų4315%0.15320%0.198CC..  trans-96.7104.4-173.6-57.7-46.6000110.9R324 V327 K332 N350 N355 C356 I357R324-H353 CarbonylContact O-C 3.42Å; R324-H353 WeakPolarHBondContact O-CA 3.34Å; V327-H353 HydrophobicContact CB-CB 4.15Å; V327-H353 HydrophobicContact CG1-CB 4.44Å; V327-H353 VanDerWaalsContact CG2-CE1 3.41Å; V327-H353 WeakPolarHBondContact CG2-CE1 3.39Å; V327-H353 WeakPolarHBondContact CG2-ND1 3.41Å; K332-H353 PolarHBondContact NZ-CD2 3.37Å; K332-H353 VanDerWaalsContact NZ-CD2 3.34Å; K332-H353 PolarHBondContact NZ-NE2 3.44Å; N350-H353 PolarHBondContact O-N 3.42Å; H353-N355 PolarHBondContact O-N 3.35Å; H353-C356 HydrophobicContact CB-CB 3.88Å; H353-C356 PolarHBondContact O-N 3.3Å; H353-I357 WeakPolarHBondContact O-CG1 3.44Å; H353-I357 PolarHBondContact O-N 3.26Å
354E92.4Very high91.7Very high2 Ų242.3 Ų42.31%0.00920%0.195CC..Hα-helixtrans-56.8-47-171.2-172.5171.4131.400111.9R321 R324 C356 I357 E358 H391 N394 I397R321-E354 WeakPolarHBondContact CG-OE2 3.3Å; R321-E354 IonicContact CZ-OE1 3.99Å; R321-E354 VanDerWaalsContact CZ-OE1 3.32Å; R321-E354 IonicContact NE-OE1 2.74Å; R321-E354 PolarHBondContact NE-OE1 3.32Å; R321-E354 IonicContact NE-OE2 2.68Å; R321-E354 PolarHBondContact NE-OE2 3.11Å; R321-E354 IonicContact NH2-OE1 3.57Å; R321-E354 PolarHBondContact NH2-OE1 3.07Å; R324-E354 HydrophobicContact CB-CB 4.09Å; R324-E354 PolarHBondContact O-N 2.59Å; E354-C356 PolarHBondContact O-N 3.4Å; E354-I357 PolarHBondContact O-N 2.77Å; E354-E358 WeakPolarHBondContact O-CB 3.44Å; E354-E358 PolarHBondContact O-N 2.94Å; E354-H391 HydrophobicContact CG-CB 4.48Å; E354-H391 IonicContact OE2-ND1 3.38Å; E354-N394 HydrophobicContact CG-CB 4.1Å; E354-N394 WeakPolarHBondContact OE1-CB 2.96Å; E354-N394 PolarHBondContact OE1-ND2 2.89Å; E354-I397 HydrophobicContact CG-CD1 4.01Å
355N92.6Very high91.8Very high46 Ų4641.5 Ų41.525%0.24619%0.191CC..Hα-helixtrans-65.2-38.7-178.6-58.2-38.3000112.9C325 V327 H353 K359C325-N355 PolarHBondContact O-ND2 3.25Å; V327-N355 PolarHBondContact O-ND2 3.41Å; H353-N355 PolarHBondContact O-N 3.35Å; N355-K359 PolarHBondContact O-N 2.95Å
356C94.4Very high91.9Very high0 Ų041.2 Ų41.20%019%0.191CC..Hα-helixtrans-66.3-45.5178-64.60000110.7Y346 N350 H353 E354 K359 A360Y346-C356 HydrophobicContact CE1-CB 4.09Å; Y346-C356 WeakPolarHBondContact OH-CB 3.43Å; N350-C356 HydrophobicContact CB-CB 4.09Å; H353-C356 HydrophobicContact CB-CB 3.88Å; H353-C356 PolarHBondContact O-N 3.3Å; E354-C356 PolarHBondContact O-N 3.4Å; C356-K359 PolarHBondContact O-N 3.32Å; C356-A360 PolarHBondContact O-N 3.05Å; C356-A360 VanDerWaalsContact O-N 3.16Å
357I95Very high91.6Very high0 Ų042.8 Ų42.80%020%0.201CC..Hα-helixtrans-69-40.7-179.9-66.4-55.8000111.9L347 N350 H353 E354 K359 A360 V361 L387 I397L347-I357 HydrophobicContact CD2-CD1 3.62Å; N350-I357 HydrophobicContact CB-CD1 4.47Å; N350-I357 WeakPolarHBondContact O-CD1 3.46Å; N350-I357 VanDerWaalsContact O-CG1 3.27Å; N350-I357 WeakPolarHBondContact O-CG1 3.4Å; H353-I357 WeakPolarHBondContact O-CG1 3.44Å; H353-I357 PolarHBondContact O-N 3.26Å; E354-I357 PolarHBondContact O-N 2.77Å; I357-K359 VanDerWaalsContact C-N 3.32Å; I357-K359 PolarHBondContact O-N 2.96Å; I357-A360 PolarHBondContact O-N 3.07Å; I357-V361 HydrophobicContact CG2-CG2 3.76Å; I357-V361 WeakPolarHBondContact O-CG2 3.48Å; I357-V361 PolarHBondContact O-N 2.95Å; I357-L387 HydrophobicContact CD1-CD2 4.3Å; I357-L387 HydrophobicContact CG1-CD2 4.19Å; I357-L387 HydrophobicContact CG2-CD1 3.77Å; I357-L387 HydrophobicContact CG2-CD2 3.89Å; I357-L387 HydrophobicContact CG2-CG 4.26Å; I357-I397 HydrophobicContact CB-CD1 4.34Å; I357-I397 HydrophobicContact CG2-CD1 3.95Å; I357-I397 HydrophobicContact CG2-CG1 4.38Å
358E96.5Very high90.9Very high56 Ų5642.6 Ų42.626%0.26220%0.2SC..Hα-helixtrans-53.1-51.8174.5177170.7-176.900110.8E354 A360 V361 V362 N394 S396 I397E354-E358 WeakPolarHBondContact O-CB 3.44Å; E354-E358 PolarHBondContact O-N 2.94Å; E358-A360 VanDerWaalsContact C-N 3.32Å; E358-A360 PolarHBondContact O-N 3.08Å; E358-V361 PolarHBondContact O-N 3.43Å; E358-V362 HydrophobicContact CG-CG2 4.28Å; E358-V362 VanDerWaalsContact O-CB 3.3Å; E358-V362 WeakPolarHBondContact O-CB 3.31Å; E358-V362 WeakPolarHBondContact O-CG2 3.33Å; E358-V362 PolarHBondContact O-N 2.84Å; E358-N394 PolarHBondContact OE2-ND2 2.59Å; E358-S396 WeakPolarHBondContact OE1-CB 3.16Å; E358-S396 PolarHBondContact OE1-OG 2.95Å; E358-I397 HydrophobicContact CB-CD1 4.17Å; E358-I397 HydrophobicContact CB-CG1 3.94Å
359K94.7Very high90.2Very high94 Ų9440.5 Ų40.541%0.40919%0.191SC..Hα-helixtrans-58.8-43178.8-172.6170.7-177.8174.80112.4A329 F334 N355 C356 I357 W363A329-K359 HydrophobicContact CB-CD 3.98Å; F334-K359 HydrophobicContact CB-CD 3.97Å; F334-K359 HydrophobicContact CB-CG 4.06Å; N355-K359 PolarHBondContact O-N 2.95Å; C356-K359 PolarHBondContact O-N 3.32Å; I357-K359 VanDerWaalsContact C-N 3.32Å; I357-K359 PolarHBondContact O-N 2.96Å; K359-W363 WeakPolarHBondContact O-CB 3.43Å; K359-W363 PolarHBondContact O-N 2.86Å; K359-W363 VanDerWaalsContact O-N 3.16Å
360A94.5Very high89.3Confident0 Ų042.1 Ų42.10%020%0.2CC..Hα-helixtrans-67.9-49.3-179.600000112.4F334 Y346 L347 C356 I357 E358 W363 F364F334-A360 HydrophobicContact CD2-CB 3.62Å; F334-A360 HydrophobicContact CE2-CB 3.59Å; F334-A360 HydrophobicContact CG-CB 4.4Å; F334-A360 HydrophobicContact CZ-CB 4.35Å; Y346-A360 HydrophobicContact CD1-CB 4.06Å; Y346-A360 HydrophobicContact CE1-CB 4.08Å; L347-A360 HydrophobicContact CD2-CB 3.49Å; L347-A360 VanDerWaalsContact CD2-CB 3.49Å; L347-A360 HydrophobicContact CG-CB 4.25Å; C356-A360 PolarHBondContact O-N 3.05Å; C356-A360 VanDerWaalsContact O-N 3.16Å; I357-A360 PolarHBondContact O-N 3.07Å; E358-A360 VanDerWaalsContact C-N 3.32Å; E358-A360 PolarHBondContact O-N 3.08Å; A360-W363 WeakPolarHBondContact O-CB 3.35Å; A360-W363 PolarHBondContact O-N 3.44Å; A360-F364 WeakPolarHBondContact O-CD2 3.36Å; A360-F364 PolarHBondContact O-N 3.11Å
361V94.5Very high88.1Confident1 Ų146.2 Ų46.21%0.00622%0.222CC..Hα-helixtrans-69.1-37.6-176.8-178.20000111.4L347 I357 E358 F364 A365 L384 L387 I404L347-V361 HydrophobicContact CD2-CG2 4.03Å; I357-V361 HydrophobicContact CG2-CG2 3.76Å; I357-V361 WeakPolarHBondContact O-CG2 3.48Å; I357-V361 PolarHBondContact O-N 2.95Å; E358-V361 PolarHBondContact O-N 3.43Å; V361-F364 PolarHBondContact O-N 3.12Å; V361-A365 WeakPolarHBondContact O-CB 3.48Å; V361-A365 PolarHBondContact O-N 3.41Å; V361-L384 HydrophobicContact CG1-CD2 4.25Å; V361-L384 HydrophobicContact CG2-CD2 4.46Å; V361-L387 HydrophobicContact CG2-CD1 4.01Å; V361-I404 HydrophobicContact CG1-CD1 4.12Å
362V95Very high86.8Confident38 Ų3847.2 Ų47.223%0.2323%0.23CC..Hα-helixtrans-60.3-47.7172.3169.80000110.3E358 F364 A365 E366E358-V362 HydrophobicContact CG-CG2 4.28Å; E358-V362 VanDerWaalsContact O-CB 3.3Å; E358-V362 WeakPolarHBondContact O-CB 3.31Å; E358-V362 WeakPolarHBondContact O-CG2 3.33Å; E358-V362 PolarHBondContact O-N 2.84Å; V362-F364 VanDerWaalsContact C-N 3.32Å; V362-F364 PolarHBondContact O-N 3.43Å; V362-A365 PolarHBondContact O-N 2.74Å; V362-A365 VanDerWaalsContact O-N 3.14Å; V362-E366 WeakPolarHBondContact O-CG 3.23Å; V362-E366 PolarHBondContact O-N 3.01Å
363W93.1Very high85.5Confident42 Ų4247.5 Ų47.516%0.15923%0.231CC..Hα-helixtrans-58.4-44.3176.5-176.192000111.8F334 M340 K343 K359 A360 A365 E366 N367F334-W363 HydrophobicContact CD1-CB 4.35Å; F334-W363 HydrophobicContact CD1-CG 4.31Å; F334-W363 HydrophobicContact CE1-CB 3.74Å; F334-W363 AromaticContact CE1-CD2 3.62Å; F334-W363 HydrophobicContact CE1-CD2 3.62Å; F334-W363 AromaticContact CE1-CE3 3.99Å; F334-W363 HydrophobicContact CE1-CE3 3.99Å; F334-W363 AromaticContact CE1-CG 3.48Å; F334-W363 HydrophobicContact CE1-CG 3.48Å; F334-W363 VanDerWaalsContact CE1-CG 3.48Å; F334-W363 HydrophobicContact CZ-CB 4.33Å; F334-W363 HydrophobicContact CZ-CD2 4.03Å; F334-W363 AromaticContact CZ-CE3 3.9Å; F334-W363 HydrophobicContact CZ-CE3 3.9Å; F334-W363 HydrophobicContact CZ-CG 4.21Å; M340-W363 HydrophobicContact CE-CH2 4.11Å; M340-W363 HydrophobicContact CE-CZ3 4.26Å; M340-W363 HydrophobicContact SD-CZ3 4.43Å; K343-W363 HydrophobicContact CD-CE3 4.33Å; K343-W363 HydrophobicContact CD-CH2 3.65Å; K343-W363 HydrophobicContact CD-CZ2 4.26Å; K343-W363 HydrophobicContact CD-CZ3 3.68Å; K359-W363 WeakPolarHBondContact O-CB 3.43Å; K359-W363 PolarHBondContact O-N 2.86Å; K359-W363 VanDerWaalsContact O-N 3.16Å; A360-W363 WeakPolarHBondContact O-CB 3.35Å; A360-W363 PolarHBondContact O-N 3.44Å; W363-A365 PolarHBondContact O-N 3.01Å; W363-E366 PolarHBondContact O-N 3.37Å; W363-N367 HydrophobicContact CD2-CB 4.37Å; W363-N367 VanDerWaalsContact CE2-ND2 3.33Å; W363-N367 HydrophobicContact CE3-CB 4.4Å; W363-N367 HydrophobicContact CH2-CB 3.98Å; W363-N367 HydrophobicContact CZ2-CB 3.98Å; W363-N367 HydrophobicContact CZ3-CB 4.21Å; W363-N367 PolarHBondContact NE1-ND2 2.81Å; W363-N367 WeakPolarHBondContact O-CB 3.41Å; W363-N367 PolarHBondContact O-N 2.71Å; W363-N367 PolarHBondContact O-ND2 3.37Å
364F91Very high83.9Confident1 Ų147.4 Ų47.40%0.00423%0.231CC..Hα-helixtrans-61.8-43.1176.1-76.8-60.5000112.1F334 M340 K343 L347 A360 V361 V362 E366 N367 I368 L376 L380 I404F334-F364 HydrophobicContact CE2-CE2 4.49Å; F334-F364 HydrophobicContact CZ-CE2 4.47Å; M340-F364 HydrophobicContact SD-CE1 3.7Å; K343-F364 HydrophobicContact CB-CE1 4.23Å; K343-F364 HydrophobicContact CB-CZ 3.7Å; L347-F364 HydrophobicContact CD1-CD2 3.92Å; L347-F364 HydrophobicContact CD1-CE2 3.37Å; L347-F364 HydrophobicContact CD1-CZ 4.18Å; L347-F364 HydrophobicContact CD2-CE2 4.39Å; L347-F364 HydrophobicContact CG-CE2 3.83Å; A360-F364 WeakPolarHBondContact O-CD2 3.36Å; A360-F364 PolarHBondContact O-N 3.11Å; V361-F364 PolarHBondContact O-N 3.12Å; V362-F364 VanDerWaalsContact C-N 3.32Å; V362-F364 PolarHBondContact O-N 3.43Å; F364-E366 VanDerWaalsContact C-N 3.27Å; F364-E366 PolarHBondContact O-N 3.16Å; F364-N367 PolarHBondContact O-N 2.98Å; F364-I368 HydrophobicContact CB-CD1 3.85Å; F364-I368 HydrophobicContact CB-CG1 4.29Å; F364-I368 HydrophobicContact CD1-CD1 3.62Å; F364-I368 HydrophobicContact CD1-CG1 4.03Å; F364-I368 HydrophobicContact CG-CD1 4.1Å; F364-I368 WeakPolarHBondContact O-CB 3.43Å; F364-I368 WeakPolarHBondContact O-CG1 3.43Å; F364-I368 PolarHBondContact O-N 3.47Å; F364-L376 HydrophobicContact CD1-CD2 4.29Å; F364-L376 HydrophobicContact CE1-CD1 4.4Å; F364-L376 HydrophobicContact CE1-CD2 4.19Å; F364-L380 HydrophobicContact CB-CD1 4.44Å; F364-L380 HydrophobicContact CD1-CD1 3.93Å; F364-L380 HydrophobicContact CD2-CD1 4.37Å; F364-L380 HydrophobicContact CE1-CD1 4.18Å; F364-L380 HydrophobicContact CE2-CD2 4.46Å; F364-L380 HydrophobicContact CG-CD1 4Å; F364-L380 HydrophobicContact CZ-CD2 4.43Å; F364-I404 HydrophobicContact CB-CD1 3.84Å
365A90.7Very high82.6Confident1 Ų153.5 Ų53.51%0.00826%0.264CS..Hα-helixtrans-64.1-32.5177.900000112.4V361 V362 W363 L369 I404V361-A365 WeakPolarHBondContact O-CB 3.48Å; V361-A365 PolarHBondContact O-N 3.41Å; V362-A365 PolarHBondContact O-N 2.74Å; V362-A365 VanDerWaalsContact O-N 3.14Å; W363-A365 PolarHBondContact O-N 3.01Å; A365-L369 WeakPolarHBondContact O-CD1 3.41Å; A365-L369 WeakPolarHBondContact O-CG 3.22Å; A365-I404 HydrophobicContact CB-CD1 4.1Å; A365-I404 HydrophobicContact CB-CG1 4.02Å
366E89.8Confident81.4Confident111 Ų11152 Ų5252%0.51926%0.255SS..Hα-helixtrans-79.2-34.9178.2-70.4174.8169.600113.2V362 W363 F364 N370V362-E366 WeakPolarHBondContact O-CG 3.23Å; V362-E366 PolarHBondContact O-N 3.01Å; W363-E366 PolarHBondContact O-N 3.37Å; F364-E366 VanDerWaalsContact C-N 3.27Å; F364-E366 PolarHBondContact O-N 3.16Å; E366-N370 PolarHBondContact O-ND2 3.46Å
367N85.7Confident80.1Confident51 Ų5152 Ų5227%0.27326%0.255SS..Hα-helixtrans-98.5-38.1-171.3-68.8-92.6000113.3W363 F364 L369 N370 D371W363-N367 HydrophobicContact CD2-CB 4.37Å; W363-N367 VanDerWaalsContact CE2-ND2 3.33Å; W363-N367 HydrophobicContact CE3-CB 4.4Å; W363-N367 HydrophobicContact CH2-CB 3.98Å; W363-N367 HydrophobicContact CZ2-CB 3.98Å; W363-N367 HydrophobicContact CZ3-CB 4.21Å; W363-N367 PolarHBondContact NE1-ND2 2.81Å; W363-N367 WeakPolarHBondContact O-CB 3.41Å; W363-N367 PolarHBondContact O-N 2.71Å; W363-N367 PolarHBondContact O-ND2 3.37Å; F364-N367 PolarHBondContact O-N 2.98Å; N367-L369 VanDerWaalsContact C-N 3.29Å; N367-L369 PolarHBondContact O-N 3.31Å; N367-N370 PolarHBondContact O-N 2.87Å; N367-D371 PolarHBondContact O-N 3.36Å; N367-D371 VanDerWaalsContact O-N 3.16Å
368I77.3Confident79.1Confident3 Ų354.6 Ų54.62%0.01527%0.268CS..Hα-helixtrans-64.5-37.9-179.4-63.3-176.3000111.4F364 N370 K372 L376 T377 L380 Y407F364-I368 HydrophobicContact CB-CD1 3.85Å; F364-I368 HydrophobicContact CB-CG1 4.29Å; F364-I368 HydrophobicContact CD1-CD1 3.62Å; F364-I368 HydrophobicContact CD1-CG1 4.03Å; F364-I368 HydrophobicContact CG-CD1 4.1Å; F364-I368 WeakPolarHBondContact O-CB 3.43Å; F364-I368 WeakPolarHBondContact O-CG1 3.43Å; F364-I368 PolarHBondContact O-N 3.47Å; I368-N370 PolarHBondContact O-N 2.81Å; I368-K372 PolarHBondContact O-N 3.4Å; I368-L376 HydrophobicContact CD1-CD2 3.46Å; I368-L376 VanDerWaalsContact CD1-CD2 3.46Å; I368-L376 HydrophobicContact CD1-CG 3.73Å; I368-L376 HydrophobicContact CG1-CD2 3.61Å; I368-L376 HydrophobicContact CG1-CG 4.4Å; I368-T377 HydrophobicContact CG2-CG2 3.52Å; I368-L380 HydrophobicContact CD1-CD1 3.52Å; I368-Y407 HydrophobicContact CG2-CE1 4.45Å
369L70.6Confident78.2Confident46 Ų4658.9 Ų58.924%0.24128%0.281CS..Hα-helixtrans-66.8-25.1-179.5-61.9-177.6000112.1A365 N367 Y407A365-L369 WeakPolarHBondContact O-CD1 3.41Å; A365-L369 WeakPolarHBondContact O-CG 3.22Å; N367-L369 VanDerWaalsContact C-N 3.29Å; N367-L369 PolarHBondContact O-N 3.31Å; L369-Y407 VanDerWaalsContact CD2-CB 3.4Å; L369-Y407 HydrophobicContact CD2-CD1 3.6Å; L369-Y407 HydrophobicContact CD2-CD2 3.55Å; L369-Y407 HydrophobicContact CD2-CE1 4.24Å; L369-Y407 HydrophobicContact CD2-CE2 4.19Å; L369-Y407 HydrophobicContact CD2-CG 3.21Å
370N70.4Confident77.7Confident126 Ų12654.5 Ų54.567%0.67426%0.262SS*.Hα-helixtrans-86.7-40.2179.3-67.4-21000112.3E366 N367 I368E366-N370 PolarHBondContact O-ND2 3.46Å; N367-N370 PolarHBondContact O-N 2.87Å; I368-N370 PolarHBondContact O-N 2.81Å
371D64.7Low77.3Confident100 Ų10054.6 Ų54.654%0.53526%0.263SS..Hα-helixtrans-91.3-1.4-171.6-74.3-25.2000115.4N367 H373N367-D371 PolarHBondContact O-N 3.36Å; N367-D371 VanDerWaalsContact O-N 3.16Å; D371-H373 WeakPolarHBondContact CB-CD2 3.48Å; D371-H373 PolarHBondContact O-N 2.89Å
372K62.6Low76.8Confident140 Ų14057.8 Ų57.861%0.60928%0.284SS*.THydrogen-bonded Turntrans56.629.3178.5-58.4179179.6175.80114.9I368 I374 Y411I368-K372 PolarHBondContact O-N 3.4Å; K372-I374 VanDerWaalsContact O-CD1 3.3Å; K372-I374 WeakPolarHBondContact O-CD1 3.29Å; K372-I374 PolarHBondContact O-N 3.17Å; K372-Y411 HydrophobicContact CB-CE2 4.45Å
373H60.8Low76.4Confident106 Ų10658.7 Ų58.749%0.49129%0.285SS..  trans-82.685.3178.5-71.3-61.2000113.6D371 N375 L376D371-H373 WeakPolarHBondContact CB-CD2 3.48Å; D371-H373 PolarHBondContact O-N 2.89Å; H373-N375 PolarHBondContact O-N 3.31Å; H373-L376 HydrophobicContact CB-CB 4.43Å; H373-L376 WeakPolarHBondContact O-CB 3.17Å; H373-L376 PolarHBondContact O-N 3.22Å
374I56.5Low76.5Confident31 Ų3156.8 Ų56.816%0.15928%0.278CS..Hα-helixtrans-59.6-46179.5-51.185.7000114.1K372 L376 T377 H378 Y411K372-I374 VanDerWaalsContact O-CD1 3.3Å; K372-I374 WeakPolarHBondContact O-CD1 3.29Å; K372-I374 PolarHBondContact O-N 3.17Å; I374-L376 PolarHBondContact O-N 2.66Å; I374-T377 WeakPolarHBondContact O-CA 3.21Å; I374-T377 WeakPolarHBondContact O-CB 3.24Å; I374-T377 PolarHBondContact O-N 3.01Å; I374-T377 PolarHBondContact O-OG1 3.11Å; I374-H378 VanDerWaalsContact CG2-NE2 3.32Å; I374-H378 WeakPolarHBondContact CG2-NE2 3.38Å; I374-H378 PolarHBondContact O-N 2.74Å; I374-Y411 HydrophobicContact CB-CD1 4.24Å; I374-Y411 HydrophobicContact CB-CE1 4.34Å; I374-Y411 HydrophobicContact CD1-CD1 3.69Å; I374-Y411 HydrophobicContact CD1-CD2 4.48Å; I374-Y411 HydrophobicContact CD1-CE1 3Å; I374-Y411 HydrophobicContact CD1-CE2 3.9Å; I374-Y411 HydrophobicContact CD1-CG 4.38Å; I374-Y411 WeakPolarHBondContact CD1-OH 3.28Å; I374-Y411 HydrophobicContact CG1-CD1 3Å; I374-Y411 HydrophobicContact CG1-CD2 4.13Å; I374-Y411 HydrophobicContact CG1-CE1 2.92Å; I374-Y411 HydrophobicContact CG1-CE2 4.05Å; I374-Y411 HydrophobicContact CG1-CG 3.65Å; I374-Y411 VanDerWaalsContact CG1-CZ 3.48Å; I374-Y411 HydrophobicContact CG2-CD1 4.24Å
375N65.4Low76.6Confident131 Ų13157 Ų5770%0.70128%0.279SS*.Hα-helixtrans-57.1-27.5-171.2-73.3-15.4000111.7H373 R379H373-N375 PolarHBondContact O-N 3.31Å; N375-R379 WeakPolarHBondContact O-CG 3.4Å; N375-R379 PolarHBondContact O-N 3.19Å
376L65.6Low76.6Confident13 Ų1361.9 Ų61.97%0.06831%0.305CS..Hα-helixtrans-71.2-45.6174.1-176.359.6000112.4M340 I344 F364 I368 H373 I374 H378 R379 L380M340-L376 HydrophobicContact CE-CD2 3.52Å; M340-L376 HydrophobicContact CG-CD1 3.47Å; M340-L376 VanDerWaalsContact CG-CD1 3.47Å; M340-L376 HydrophobicContact CG-CD2 3.81Å; M340-L376 HydrophobicContact CG-CG 4.23Å; M340-L376 HydrophobicContact SD-CD1 3.7Å; M340-L376 HydrophobicContact SD-CD2 3.27Å; M340-L376 WeakPolarHBondContact SD-CD2 3.33Å; M340-L376 HydrophobicContact SD-CG 4.12Å; I344-L376 HydrophobicContact CD1-CD1 3.42Å; I344-L376 VanDerWaalsContact CD1-CD1 3.42Å; I344-L376 HydrophobicContact CG1-CD1 3.71Å; F364-L376 HydrophobicContact CD1-CD2 4.29Å; F364-L376 HydrophobicContact CE1-CD1 4.4Å; F364-L376 HydrophobicContact CE1-CD2 4.19Å; I368-L376 HydrophobicContact CD1-CD2 3.46Å; I368-L376 VanDerWaalsContact CD1-CD2 3.46Å; I368-L376 HydrophobicContact CD1-CG 3.73Å; I368-L376 HydrophobicContact CG1-CD2 3.61Å; I368-L376 HydrophobicContact CG1-CG 4.4Å; H373-L376 HydrophobicContact CB-CB 4.43Å; H373-L376 WeakPolarHBondContact O-CB 3.17Å; H373-L376 PolarHBondContact O-N 3.22Å; I374-L376 PolarHBondContact O-N 2.66Å; L376-H378 VanDerWaalsContact C-N 3.26Å; L376-H378 PolarHBondContact O-N 2.93Å; L376-R379 PolarHBondContact O-N 3.05Å; L376-R379 VanDerWaalsContact O-N 3.16Å; L376-L380 HydrophobicContact CD1-CD1 4.23Å; L376-L380 HydrophobicContact CD1-CG 4.32Å; L376-L380 HydrophobicContact CG-CD1 3.98Å; L376-L380 HydrophobicContact CG-CG 4.46Å; L376-L380 WeakPolarHBondContact O-CG 3.38Å; L376-L380 PolarHBondContact O-N 3Å
377T68.2Low76.8Confident0 Ų056.9 Ų56.90%028%0.282CS..Hα-helixtrans-57.6-40.5176.264.50000111.9I368 I374 R379 L380 S381 I404 Y407 S408 Y452I368-T377 HydrophobicContact CG2-CG2 3.52Å; I374-T377 WeakPolarHBondContact O-CA 3.21Å; I374-T377 WeakPolarHBondContact O-CB 3.24Å; I374-T377 PolarHBondContact O-N 3.01Å; I374-T377 PolarHBondContact O-OG1 3.11Å; T377-R379 VanDerWaalsContact C-N 3.3Å; T377-R379 PolarHBondContact O-N 3.38Å; T377-L380 PolarHBondContact O-N 3.11Å; T377-L380 VanDerWaalsContact O-N 3.13Å; T377-S381 PolarHBondContact O-N 2.99Å; T377-S381 PolarHBondContact O-OG 3.43Å; T377-I404 HydrophobicContact CG2-CG2 4.23Å; T377-Y407 HydrophobicContact CG2-CD1 4.28Å; T377-S408 VanDerWaalsContact CB-OG 3.27Å; T377-S408 WeakPolarHBondContact CB-OG 3.24Å; T377-S408 PolarHBondContact OG1-OG 3.38Å; T377-Y452 PolarHBondContact O-OH 2.97Å
378H73.7Confident77.3Confident56 Ų5654.4 Ų54.426%0.25927%0.269SS..Hα-helixtrans-62.9-37.2179.4-74-150.3000112.9I374 L376 Y452I374-H378 VanDerWaalsContact CG2-NE2 3.32Å; I374-H378 WeakPolarHBondContact CG2-NE2 3.38Å; I374-H378 PolarHBondContact O-N 2.74Å; L376-H378 VanDerWaalsContact C-N 3.26Å; L376-H378 PolarHBondContact O-N 2.93Å; H378-Y452 VanDerWaalsContact CA-CE2 3.4Å; H378-Y452 HydrophobicContact CB-CD2 4.03Å; H378-Y452 HydrophobicContact CB-CE2 3.87Å; H378-Y452 HydrophobicContact CB-CG 4.48Å; H378-Y452 AromaticContact CD2-CD1 3.75Å; H378-Y452 AromaticContact CD2-CE1 3.33Å; H378-Y452 WeakPolarHBondContact CD2-CE1 3.44Å; H378-Y452 AromaticContact CD2-CZ 3.49Å; H378-Y452 VanDerWaalsContact CD2-CZ 3.49Å; H378-Y452 AromaticContact CE1-CD1 3.43Å; H378-Y452 VanDerWaalsContact CE1-CD1 3.43Å; H378-Y452 WeakPolarHBondContact CE1-CD1 3.42Å; H378-Y452 AromaticContact CE1-CE1 3.81Å; H378-Y452 AromaticContact CE1-CG 3.85Å; H378-Y452 AromaticContact CG-CD1 3.87Å; H378-Y452 AromaticContact CG-CD2 3.93Å; H378-Y452 AromaticContact CG-CE1 3.8Å; H378-Y452 AromaticContact CG-CE2 3.88Å; H378-Y452 AromaticContact CG-CG 3.9Å; H378-Y452 AromaticContact CG-CZ 3.77Å; H378-Y452 AromaticContact ND1-CD1 3.67Å; H378-Y452 AromaticContact ND1-CG 3.64Å; H378-Y452 AromaticContact NE2-CD1 3.5Å; H378-Y452 AromaticContact NE2-CE1 3.38Å; H378-Y452 WeakPolarHBondContact NE2-CE1 3.47Å; H378-Y452 WeakPolarHBondContact O-CE2 3.08Å
379R77Confident77.9Confident146 Ų14660.6 Ų60.655%0.55129%0.293SS*.Hα-helixtrans-72.3-32.9176.1-69.5-179.7179.2-175.40.8112.1E341 N375 L376 T377 H383E341-R379 IonicContact OE1-NH1 2.95Å; N375-R379 WeakPolarHBondContact O-CG 3.4Å; N375-R379 PolarHBondContact O-N 3.19Å; L376-R379 PolarHBondContact O-N 3.05Å; L376-R379 VanDerWaalsContact O-N 3.16Å; T377-R379 VanDerWaalsContact C-N 3.3Å; T377-R379 PolarHBondContact O-N 3.38Å; R379-H383 PolarHBondContact O-CE1 3.05Å; R379-H383 VanDerWaalsContact O-CE1 3.25Å; R379-H383 PolarHBondContact O-ND1 2.86Å
380L84.7Confident78.8Confident2 Ų260.3 Ų60.31%0.0129%0.291CS..Hα-helixtrans-79.3-37.9-177.3-68.4176.5000113.2I344 L347 F364 I368 L376 T377 H383 L384I344-L380 HydrophobicContact CG1-CD2 4.29Å; L347-L380 HydrophobicContact CD1-CD2 3.45Å; L347-L380 VanDerWaalsContact CD1-CD2 3.45Å; F364-L380 HydrophobicContact CB-CD1 4.44Å; F364-L380 HydrophobicContact CD1-CD1 3.93Å; F364-L380 HydrophobicContact CD2-CD1 4.37Å; F364-L380 HydrophobicContact CE1-CD1 4.18Å; F364-L380 HydrophobicContact CE2-CD2 4.46Å; F364-L380 HydrophobicContact CG-CD1 4Å; F364-L380 HydrophobicContact CZ-CD2 4.43Å; I368-L380 HydrophobicContact CD1-CD1 3.52Å; L376-L380 HydrophobicContact CD1-CD1 4.23Å; L376-L380 HydrophobicContact CD1-CG 4.32Å; L376-L380 HydrophobicContact CG-CD1 3.98Å; L376-L380 HydrophobicContact CG-CG 4.46Å; L376-L380 WeakPolarHBondContact O-CG 3.38Å; L376-L380 PolarHBondContact O-N 3Å; T377-L380 PolarHBondContact O-N 3.11Å; T377-L380 VanDerWaalsContact O-N 3.13Å; L380-H383 WeakPolarHBondContact O-CA 3.26Å; L380-H383 VanDerWaalsContact O-CB 3.29Å; L380-H383 WeakPolarHBondContact O-CB 3.38Å; L380-H383 PolarHBondContact O-N 3.18Å; L380-L384 HydrophobicContact CB-CD1 4.34Å; L380-L384 HydrophobicContact CB-CG 4.32Å; L380-L384 PolarHBondContact O-N 3.4Å
381S86Confident79.8Confident1 Ų154.3 Ų54.31%0.00726%0.259CS..Hα-helixtrans-52.7-43.7-167.4-65.30000116.7T377 H383 L384 F385 Y452T377-S381 PolarHBondContact O-N 2.99Å; T377-S381 PolarHBondContact O-OG 3.43Å; S381-H383 VanDerWaalsContact C-N 3.29Å; S381-H383 PolarHBondContact O-N 3.45Å; S381-L384 PolarHBondContact O-N 3.25Å; S381-F385 WeakPolarHBondContact O-CD2 3.48Å; S381-F385 PolarHBondContact O-N 3.47Å; S381-Y452 WeakPolarHBondContact CB-OH 3.25Å; S381-Y452 PolarHBondContact OG-OH 2.75Å
382P83.6Confident81.1Confident68 Ų6851 Ų5144%0.44224%0.24SC..Hα-helixtrans-57-44.9175.2-24.334.9000112L384 F385 D386P382-L384 VanDerWaalsContact C-N 3.33Å; P382-L384 PolarHBondContact O-N 2.94Å; P382-F385 PolarHBondContact O-N 3.37Å; P382-D386 PolarHBondContact O-N 2.92Å
383H87.8Confident82.3Confident58 Ų5845.6 Ų45.627%0.26922%0.222SC..Hα-helixtrans-64.8-37.1178.6-50.988.2000111.9H348 R379 L380 S381 F385 D386 L387H348-H383 AromaticContact CE1-CD2 3.52Å; H348-H383 AromaticContact CE1-CE1 3.61Å; H348-H383 AromaticContact CE1-NE2 2.91Å; H348-H383 PolarHBondContact CE1-NE2 3.31Å; H348-H383 AromaticContact ND1-CD2 3.88Å; H348-H383 AromaticContact ND1-NE2 3.68Å; H348-H383 AromaticContact NE2-CE1 3.93Å; H348-H383 AromaticContact NE2-NE2 3.65Å; R379-H383 PolarHBondContact O-CE1 3.05Å; R379-H383 VanDerWaalsContact O-CE1 3.25Å; R379-H383 PolarHBondContact O-ND1 2.86Å; L380-H383 WeakPolarHBondContact O-CA 3.26Å; L380-H383 VanDerWaalsContact O-CB 3.29Å; L380-H383 WeakPolarHBondContact O-CB 3.38Å; L380-H383 PolarHBondContact O-N 3.18Å; S381-H383 VanDerWaalsContact C-N 3.29Å; S381-H383 PolarHBondContact O-N 3.45Å; H383-F385 VanDerWaalsContact C-N 3.29Å; H383-F385 PolarHBondContact O-N 3.22Å; H383-D386 PolarHBondContact O-N 3.14Å; H383-L387 WeakPolarHBondContact O-CB 3.18Å; H383-L387 WeakPolarHBondContact O-CG 3.36Å; H383-L387 PolarHBondContact O-N 3.29Å
384L93.5Very high83.8Confident2 Ų241 Ų411%0.0120%0.201CC..Hα-helixtrans-62.2-36.6-179.6-63.7179.2000112.2V361 L380 S381 P382 M388 I404 L405V361-L384 HydrophobicContact CG1-CD2 4.25Å; V361-L384 HydrophobicContact CG2-CD2 4.46Å; L380-L384 HydrophobicContact CB-CD1 4.34Å; L380-L384 HydrophobicContact CB-CG 4.32Å; L380-L384 PolarHBondContact O-N 3.4Å; S381-L384 PolarHBondContact O-N 3.25Å; P382-L384 VanDerWaalsContact C-N 3.33Å; P382-L384 PolarHBondContact O-N 2.94Å; L384-M388 VanDerWaalsContact O-CB 3.28Å; L384-M388 WeakPolarHBondContact O-CB 3.04Å; L384-M388 WeakPolarHBondContact O-CG 3.32Å; L384-M388 PolarHBondContact O-N 2.87Å; L384-I404 HydrophobicContact CD1-CB 3.8Å; L384-I404 HydrophobicContact CD1-CD1 4.33Å; L384-I404 HydrophobicContact CD1-CG2 3.58Å; L384-I404 HydrophobicContact CD2-CD1 4.49Å; L384-L405 HydrophobicContact CB-CD1 4.43Å; L384-L405 HydrophobicContact CB-CD2 4.36Å; L384-L405 HydrophobicContact CB-CG 4.38Å; L384-L405 HydrophobicContact CD1-CD2 4.13Å; L384-L405 HydrophobicContact CD1-CG 4.03Å
385F93.4Very high85.7Confident6 Ų642 Ų423%0.02621%0.207CC..Hα-helixtrans-65.8-44.1174.1-69.5-68.2000111.7S381 P382 H383 L387 M388 Y389 L405 I456 N461 L464 V465 F485S381-F385 WeakPolarHBondContact O-CD2 3.48Å; S381-F385 PolarHBondContact O-N 3.47Å; P382-F385 PolarHBondContact O-N 3.37Å; H383-F385 VanDerWaalsContact C-N 3.29Å; H383-F385 PolarHBondContact O-N 3.22Å; F385-L387 PolarHBondContact O-N 3.44Å; F385-M388 PolarHBondContact O-N 3.14Å; F385-Y389 WeakPolarHBondContact O-CB 3.48Å; F385-Y389 PolarHBondContact O-N 3.26Å; F385-L405 HydrophobicContact CD1-CD1 4.28Å; F385-L405 HydrophobicContact CE1-CD1 3.75Å; F385-L405 HydrophobicContact CE2-CD1 4.35Å; F385-L405 HydrophobicContact CE2-CD2 3.8Å; F385-L405 HydrophobicContact CZ-CD1 3.79Å; F385-L405 HydrophobicContact CZ-CD2 3.88Å; F385-L405 HydrophobicContact CZ-CG 4.47Å; F385-I456 HydrophobicContact CE2-CG1 4.41Å; F385-I456 HydrophobicContact CZ-CG2 4.33Å; F385-N461 HydrophobicContact CD1-CB 3.91Å; F385-N461 HydrophobicContact CD2-CB 4.37Å; F385-N461 HydrophobicContact CE1-CB 3.66Å; F385-N461 HydrophobicContact CE2-CB 4.14Å; F385-N461 WeakPolarHBondContact CE2-ND2 3.37Å; F385-N461 HydrophobicContact CG-CB 4.27Å; F385-N461 HydrophobicContact CZ-CB 3.78Å; F385-L464 HydrophobicContact CB-CD2 4.19Å; F385-L464 HydrophobicContact CD1-CD2 4.25Å; F385-L464 WeakPolarHBondContact O-CD2 3.22Å; F385-V465 HydrophobicContact CE1-CG2 4.09Å; F385-F485 HydrophobicContact CE1-CZ 4.41Å; F385-F485 HydrophobicContact CZ-CE2 4.25Å; F385-F485 HydrophobicContact CZ-CZ 4.19Å
386D91.5Very high87.2Confident103 Ų10337.8 Ų37.855%0.55119%0.187SC*.Hα-helixtrans-63.1-42177.3-65.2-29.3000111.8P382 H383 Y389 L390P382-D386 PolarHBondContact O-N 2.92Å; H383-D386 PolarHBondContact O-N 3.14Å; D386-Y389 PolarHBondContact O-N 2.85Å; D386-L390 WeakPolarHBondContact O-CB 3.47Å; D386-L390 PolarHBondContact O-N 2.93Å
387L94.2Very high88.7Confident5 Ų537.2 Ų37.23%0.02618%0.184CC..Hα-helixtrans-65.8-43.4176.3-67.7177.8000111.8L347 W351 I357 V361 H383 F385 Y389 L390 H391L347-L387 HydrophobicContact CD2-CD1 4.3Å; W351-L387 HydrophobicContact CB-CD2 3.89Å; I357-L387 HydrophobicContact CD1-CD2 4.3Å; I357-L387 HydrophobicContact CG1-CD2 4.19Å; I357-L387 HydrophobicContact CG2-CD1 3.77Å; I357-L387 HydrophobicContact CG2-CD2 3.89Å; I357-L387 HydrophobicContact CG2-CG 4.26Å; V361-L387 HydrophobicContact CG2-CD1 4.01Å; H383-L387 WeakPolarHBondContact O-CB 3.18Å; H383-L387 WeakPolarHBondContact O-CG 3.36Å; H383-L387 PolarHBondContact O-N 3.29Å; F385-L387 PolarHBondContact O-N 3.44Å; L387-Y389 VanDerWaalsContact C-N 3.3Å; L387-Y389 PolarHBondContact O-N 2.89Å; L387-L390 PolarHBondContact O-N 3.35Å; L387-H391 WeakPolarHBondContact O-CB 3.12Å; L387-H391 PolarHBondContact O-CD2 3Å; L387-H391 PolarHBondContact O-N 3.19Å
388M94.8Very high90.1Very high0 Ų037.2 Ų37.20%018%0.184CC..Hα-helixtrans-62.2-39.3174.6-78.3175.453.300111.5L384 F385 Q392 I398 S401 L402 L405 V465 I468L384-M388 VanDerWaalsContact O-CB 3.28Å; L384-M388 WeakPolarHBondContact O-CB 3.04Å; L384-M388 WeakPolarHBondContact O-CG 3.32Å; L384-M388 PolarHBondContact O-N 2.87Å; F385-M388 PolarHBondContact O-N 3.14Å; M388-Q392 WeakPolarHBondContact O-CA 3.37Å; M388-Q392 WeakPolarHBondContact O-CG 3.39Å; M388-Q392 PolarHBondContact O-N 3.39Å; M388-I398 HydrophobicContact CB-CD1 3.78Å; M388-I398 HydrophobicContact CE-CD1 4.41Å; M388-I398 HydrophobicContact CG-CD1 3.72Å; M388-S401 WeakPolarHBondContact SD-CB 3.37Å; M388-L402 HydrophobicContact CE-CD2 3.8Å; M388-L402 HydrophobicContact CE-CG 4.03Å; M388-L402 HydrophobicContact SD-CD2 4.36Å; M388-L402 HydrophobicContact SD-CG 4.36Å; M388-L405 HydrophobicContact SD-CD1 3.96Å; M388-V465 HydrophobicContact CE-CG2 4.23Å; M388-I468 HydrophobicContact CB-CD1 3.89Å; M388-I468 HydrophobicContact CE-CD1 3.37Å
389Y91.6Very high91.2Very high133 Ų13336 Ų3652%0.52218%0.18SC..Hα-helixtrans-66-41.7176.9174.9-101000112.4F385 D386 L387 Q392 L464F385-Y389 WeakPolarHBondContact O-CB 3.48Å; F385-Y389 PolarHBondContact O-N 3.26Å; D386-Y389 PolarHBondContact O-N 2.85Å; L387-Y389 VanDerWaalsContact C-N 3.3Å; L387-Y389 PolarHBondContact O-N 2.89Å; Y389-Q392 VanDerWaalsContact O-CG 3.29Å; Y389-Q392 WeakPolarHBondContact O-CG 3.39Å; Y389-Q392 PolarHBondContact O-NE2 2.8Å; Y389-L464 HydrophobicContact CD2-CD1 3.94Å
390L88.8Confident92.1Very high40 Ų4029.4 Ų29.421%0.20916%0.157CC..Hα-helixtrans-76.1-41.3-178.9-175.166.3000112.9R324 W351 D386 L387R324-L390 PolarHBondContact NH2-O 2.96Å; W351-L390 HydrophobicContact CE3-CD2 3.53Å; W351-L390 HydrophobicContact CZ3-CD2 3.51Å; D386-L390 WeakPolarHBondContact O-CB 3.47Å; D386-L390 PolarHBondContact O-N 2.93Å; L387-L390 PolarHBondContact O-N 3.35Å
391H92.1Very high92.7Very high0 Ų029.3 Ų29.30%016%0.157CC..  trans-10836.7-171.6-55.7-64.7000112.3W351 E354 L387 A393 N394 I397W351-H391 PolarHBondContact O-NE2 3.26Å; E354-H391 HydrophobicContact CG-CB 4.48Å; E354-H391 IonicContact OE2-ND1 3.38Å; L387-H391 WeakPolarHBondContact O-CB 3.12Å; L387-H391 PolarHBondContact O-CD2 3Å; L387-H391 PolarHBondContact O-N 3.19Å; H391-A393 PolarHBondContact O-N 3.23Å; H391-N394 HydrophobicContact CB-CB 4.48Å; H391-N394 PolarHBondContact O-N 3.32Å; H391-I397 HydrophobicContact CB-CD1 3.66Å; H391-I397 HydrophobicContact CB-CG2 4.33Å
392Q90.3Very high93.2Very high30 Ų3029.3 Ų29.314%0.1416%0.157CC..THydrogen-bonded Turntrans-55.4-23.1-175.7-67.8173.91800114.5M388 Y389 I468 K471 H472M388-Q392 WeakPolarHBondContact O-CA 3.37Å; M388-Q392 WeakPolarHBondContact O-CG 3.39Å; M388-Q392 PolarHBondContact O-N 3.39Å; Y389-Q392 VanDerWaalsContact O-CG 3.29Å; Y389-Q392 WeakPolarHBondContact O-CG 3.39Å; Y389-Q392 PolarHBondContact O-NE2 2.8Å; Q392-I468 HydrophobicContact CG-CG1 4.26Å; Q392-K471 HydrophobicContact CB-CD 4.35Å; Q392-H472 PolarHBondContact O-NE2 3.38Å
393A87.8Confident93.6Very high27 Ų2731.3 Ų31.322%0.22316%0.155CC..THydrogen-bonded Turntrans-81.5-15.4179.800000113.4H391H391-A393 PolarHBondContact O-N 3.23Å
394N93.3Very high93.8Very high8 Ų828.6 Ų28.64%0.04314%0.143CC..  trans-92.9104.2-179.9-169.3-51000110.5E354 E358 H391 S396 I397 I398E354-N394 HydrophobicContact CG-CB 4.1Å; E354-N394 WeakPolarHBondContact OE1-CB 2.96Å; E354-N394 PolarHBondContact OE1-ND2 2.89Å; E358-N394 PolarHBondContact OE2-ND2 2.59Å; H391-N394 HydrophobicContact CB-CB 4.48Å; H391-N394 PolarHBondContact O-N 3.32Å; N394-S396 VanDerWaalsContact C-N 3.28Å; N394-S396 PolarHBondContact O-N 3.13Å; N394-S396 VanDerWaalsContact OD1-CB 3.31Å; N394-S396 WeakPolarHBondContact OD1-CB 3.4Å; N394-S396 PolarHBondContact OD1-N 2.8Å; N394-I397 HydrophobicContact CB-CB 4.19Å; N394-I397 HydrophobicContact CB-CD1 3.9Å; N394-I397 HydrophobicContact CB-CG1 4.12Å; N394-I397 PolarHBondContact O-N 2.76Å; N394-I397 PolarHBondContact OD1-N 3.2Å; N394-I397 VanDerWaalsContact OD1-N 3.09Å; N394-I398 WeakPolarHBondContact O-CG1 3.17Å; N394-I398 PolarHBondContact O-N 2.76Å
395L96.1Very high93.8Very high54 Ų5428.5 Ų28.528%0.28314%0.142SC..Hα-helixtrans-63.9-32.1-177.7-65.6172.8000112.7I398 T399 Y475 V478L395-I398 PolarHBondContact O-N 2.88Å; L395-T399 WeakPolarHBondContact O-CB 3.19Å; L395-T399 VanDerWaalsContact O-CG2 3.27Å; L395-T399 WeakPolarHBondContact O-CG2 3.35Å; L395-T399 PolarHBondContact O-N 3.32Å; L395-T399 PolarHBondContact O-OG1 3.05Å; L395-Y475 HydrophobicContact CD1-CD1 3.61Å; L395-Y475 HydrophobicContact CD1-CE1 3.34Å; L395-Y475 HydrophobicContact CD1-CG 4.36Å; L395-Y475 HydrophobicContact CD2-CD1 4.34Å; L395-Y475 HydrophobicContact CD2-CG 4.3Å; L395-V478 HydrophobicContact CD2-CG2 3.92Å
396S97Very high93.7Very high42 Ų4228.5 Ų28.529%0.29414%0.144SC..Hα-helixtrans-64.2-44.5177.5-51.90000111.1E358 N394 T399 S400E358-S396 WeakPolarHBondContact OE1-CB 3.16Å; E358-S396 PolarHBondContact OE1-OG 2.95Å; N394-S396 VanDerWaalsContact C-N 3.28Å; N394-S396 PolarHBondContact O-N 3.13Å; N394-S396 VanDerWaalsContact OD1-CB 3.31Å; N394-S396 WeakPolarHBondContact OD1-CB 3.4Å; N394-S396 PolarHBondContact OD1-N 2.8Å; S396-T399 PolarHBondContact O-OG1 3.27Å; S396-S400 WeakPolarHBondContact O-CB 3.29Å; S396-S400 PolarHBondContact O-N 3.09Å; S396-S400 PolarHBondContact O-OG 3.03Å
397I96.9Very high93.4Very high0 Ų025.7 Ų25.70%013%0.126CC..Hα-helixtrans-63.6-49.4175.2-65.8173.7000110.1E354 I357 E358 H391 N394 T399 S401E354-I397 HydrophobicContact CG-CD1 4.01Å; I357-I397 HydrophobicContact CB-CD1 4.34Å; I357-I397 HydrophobicContact CG2-CD1 3.95Å; I357-I397 HydrophobicContact CG2-CG1 4.38Å; E358-I397 HydrophobicContact CB-CD1 4.17Å; E358-I397 HydrophobicContact CB-CG1 3.94Å; H391-I397 HydrophobicContact CB-CD1 3.66Å; H391-I397 HydrophobicContact CB-CG2 4.33Å; N394-I397 HydrophobicContact CB-CB 4.19Å; N394-I397 HydrophobicContact CB-CD1 3.9Å; N394-I397 HydrophobicContact CB-CG1 4.12Å; N394-I397 PolarHBondContact O-N 2.76Å; N394-I397 PolarHBondContact OD1-N 3.2Å; N394-I397 VanDerWaalsContact OD1-N 3.09Å; I397-T399 PolarHBondContact O-N 3.02Å; I397-S401 VanDerWaalsContact O-CB 3.24Å; I397-S401 WeakPolarHBondContact O-CB 3.35Å; I397-S401 PolarHBondContact O-N 3.35Å; I397-S401 PolarHBondContact O-OG 3.08Å; I397-S401 VanDerWaalsContact O-OG 3.08Å
398I97.6Very high93Very high0 Ų025.5 Ų25.50%012%0.124CC..Hα-helixtrans-57.9-52.6-179.7-68.4-50.4000111.8M388 N394 L395 S401 L402 I468 V478M388-I398 HydrophobicContact CB-CD1 3.78Å; M388-I398 HydrophobicContact CE-CD1 4.41Å; M388-I398 HydrophobicContact CG-CD1 3.72Å; N394-I398 WeakPolarHBondContact O-CG1 3.17Å; N394-I398 PolarHBondContact O-N 2.76Å; L395-I398 PolarHBondContact O-N 2.88Å; I398-S401 PolarHBondContact O-N 3.28Å; I398-L402 HydrophobicContact CG2-CD1 3.89Å; I398-L402 WeakPolarHBondContact O-CB 3.45Å; I398-L402 VanDerWaalsContact O-CG 3.31Å; I398-L402 WeakPolarHBondContact O-CG 3.48Å; I398-L402 PolarHBondContact O-N 3.05Å; I398-I468 HydrophobicContact CD1-CD1 3.87Å; I398-I468 HydrophobicContact CD1-CG1 4.46Å; I398-I468 HydrophobicContact CD1-CG2 4.09Å; I398-I468 HydrophobicContact CG1-CG2 4.22Å; I398-I468 HydrophobicContact CG2-CG2 3.58Å; I398-V478 HydrophobicContact CG2-CG1 4.22Å; I398-V478 HydrophobicContact CG2-CG2 4.33Å
399T97.6Very high92.6Very high30 Ų3025.5 Ų25.518%0.18412%0.124CC..Hα-helixtrans-67.8-40.7-176.154.90000111.8L395 S396 I397 R403 N477 V478 L481L395-T399 WeakPolarHBondContact O-CB 3.19Å; L395-T399 VanDerWaalsContact O-CG2 3.27Å; L395-T399 WeakPolarHBondContact O-CG2 3.35Å; L395-T399 PolarHBondContact O-N 3.32Å; L395-T399 PolarHBondContact O-OG1 3.05Å; S396-T399 PolarHBondContact O-OG1 3.27Å; I397-T399 PolarHBondContact O-N 3.02Å; T399-R403 VanDerWaalsContact O-CG 3.28Å; T399-R403 WeakPolarHBondContact O-CG 3.44Å; T399-R403 PolarHBondContact O-N 3.34Å; T399-N477 HydrophobicContact CG2-CB 4.45Å; T399-V478 HydrophobicContact CG2-CG2 4.14Å; T399-L481 HydrophobicContact CG2-CD1 3.87Å; T399-L481 WeakPolarHBondContact O-CD1 3.24Å
400S96.2Very high92.1Very high9 Ų922.7 Ų22.76%0.06312%0.116CC..Hα-helixtrans-67-42.8177.3-590000111.8S396 R403 I404S396-S400 WeakPolarHBondContact O-CB 3.29Å; S396-S400 PolarHBondContact O-N 3.09Å; S396-S400 PolarHBondContact O-OG 3.03Å; S400-R403 PolarHBondContact O-N 2.87Å; S400-I404 VanDerWaalsContact O-CG1 3.31Å; S400-I404 WeakPolarHBondContact O-CG1 3.23Å; S400-I404 PolarHBondContact O-N 3.33Å; S400-I404 VanDerWaalsContact O-N 3.09Å
401S96.1Very high91.6Very high0 Ų023.1 Ų23.10%012%0.115CC..Hα-helixtrans-62.3-46.4175.2-710000112.1M388 I397 I398 R403 I404 L405M388-S401 WeakPolarHBondContact SD-CB 3.37Å; I397-S401 VanDerWaalsContact O-CB 3.24Å; I397-S401 WeakPolarHBondContact O-CB 3.35Å; I397-S401 PolarHBondContact O-N 3.35Å; I397-S401 PolarHBondContact O-OG 3.08Å; I397-S401 VanDerWaalsContact O-OG 3.08Å; I398-S401 PolarHBondContact O-N 3.28Å; S401-R403 VanDerWaalsContact C-N 3.32Å; S401-R403 PolarHBondContact O-N 3.22Å; S401-I404 PolarHBondContact O-N 3.04Å; S401-L405 WeakPolarHBondContact O-CB 3.29Å; S401-L405 VanDerWaalsContact O-CG 3.29Å; S401-L405 WeakPolarHBondContact O-CG 3.48Å; S401-L405 PolarHBondContact O-N 3.13Å
402L96.2Very high90.9Very high1 Ų124 Ų241%0.00512%0.119CC..Hα-helixtrans-61-40178.1-74.3171.1000112.1M388 I398 L405 A406 V465 L481 F485M388-L402 HydrophobicContact CE-CD2 3.8Å; M388-L402 HydrophobicContact CE-CG 4.03Å; M388-L402 HydrophobicContact SD-CD2 4.36Å; M388-L402 HydrophobicContact SD-CG 4.36Å; I398-L402 HydrophobicContact CG2-CD1 3.89Å; I398-L402 WeakPolarHBondContact O-CB 3.45Å; I398-L402 VanDerWaalsContact O-CG 3.31Å; I398-L402 WeakPolarHBondContact O-CG 3.48Å; I398-L402 PolarHBondContact O-N 3.05Å; L402-L405 PolarHBondContact O-N 2.83Å; L402-A406 WeakPolarHBondContact O-CB 3.42Å; L402-A406 PolarHBondContact O-N 3.34Å; L402-V465 HydrophobicContact CD2-CG1 3.91Å; L402-V465 HydrophobicContact CD2-CG2 4.1Å; L402-L481 HydrophobicContact CB-CB 3.86Å; L402-L481 HydrophobicContact CD1-CB 4.03Å; L402-F485 HydrophobicContact CD2-CB 4.49Å
403R93.5Very high90Very high110 Ų11022.9 Ų22.942%0.41511%0.114SC..Hα-helixtrans-59.4-47.9174.6-76.6174.367.2178.8-0.7111.9T399 S400 S401 Y407 L481T399-R403 VanDerWaalsContact O-CG 3.28Å; T399-R403 WeakPolarHBondContact O-CG 3.44Å; T399-R403 PolarHBondContact O-N 3.34Å; S400-R403 PolarHBondContact O-N 2.87Å; S401-R403 VanDerWaalsContact C-N 3.32Å; S401-R403 PolarHBondContact O-N 3.22Å; R403-Y407 WeakPolarHBondContact O-CB 3.46Å; R403-Y407 PolarHBondContact O-N 3.21Å; R403-Y407 VanDerWaalsContact O-N 3.08Å; R403-L481 HydrophobicContact CG-CD1 3.91Å; R403-L481 HydrophobicContact CG-CD2 3.35Å; R403-L481 HydrophobicContact CG-CG 4.28Å
404I92.1Very high89.2Confident0 Ų026.4 Ų26.40%013%0.129CC..Hα-helixtrans-63.6-43.8179.3-63.4162000110.5V361 F364 A365 T377 L384 S400 S401 S408V361-I404 HydrophobicContact CG1-CD1 4.12Å; F364-I404 HydrophobicContact CB-CD1 3.84Å; A365-I404 HydrophobicContact CB-CD1 4.1Å; A365-I404 HydrophobicContact CB-CG1 4.02Å; T377-I404 HydrophobicContact CG2-CG2 4.23Å; L384-I404 HydrophobicContact CD1-CB 3.8Å; L384-I404 HydrophobicContact CD1-CD1 4.33Å; L384-I404 HydrophobicContact CD1-CG2 3.58Å; L384-I404 HydrophobicContact CD2-CD1 4.49Å; S400-I404 VanDerWaalsContact O-CG1 3.31Å; S400-I404 WeakPolarHBondContact O-CG1 3.23Å; S400-I404 PolarHBondContact O-N 3.33Å; S400-I404 VanDerWaalsContact O-N 3.09Å; S401-I404 PolarHBondContact O-N 3.04Å; I404-S408 WeakPolarHBondContact O-CB 3.36Å; I404-S408 PolarHBondContact O-N 2.91Å
405L92.7Very high87.9Confident0 Ų030 Ų300%015%0.145CC..Hα-helixtrans-63.7-48.1179.5-72.3170.6000112.1L384 F385 M388 S401 L402 S408 I409 F485L384-L405 HydrophobicContact CB-CD1 4.43Å; L384-L405 HydrophobicContact CB-CD2 4.36Å; L384-L405 HydrophobicContact CB-CG 4.38Å; L384-L405 HydrophobicContact CD1-CD2 4.13Å; L384-L405 HydrophobicContact CD1-CG 4.03Å; F385-L405 HydrophobicContact CD1-CD1 4.28Å; F385-L405 HydrophobicContact CE1-CD1 3.75Å; F385-L405 HydrophobicContact CE2-CD1 4.35Å; F385-L405 HydrophobicContact CE2-CD2 3.8Å; F385-L405 HydrophobicContact CZ-CD1 3.79Å; F385-L405 HydrophobicContact CZ-CD2 3.88Å; F385-L405 HydrophobicContact CZ-CG 4.47Å; M388-L405 HydrophobicContact SD-CD1 3.96Å; S401-L405 WeakPolarHBondContact O-CB 3.29Å; S401-L405 VanDerWaalsContact O-CG 3.29Å; S401-L405 WeakPolarHBondContact O-CG 3.48Å; S401-L405 PolarHBondContact O-N 3.13Å; L402-L405 PolarHBondContact O-N 2.83Å; L405-S408 PolarHBondContact O-N 3.09Å; L405-I409 WeakPolarHBondContact O-CD1 3.34Å; L405-I409 WeakPolarHBondContact O-CG1 3.38Å; L405-I409 PolarHBondContact O-N 3.01Å; L405-F485 HydrophobicContact CB-CD2 3.9Å; L405-F485 HydrophobicContact CB-CE2 4.09Å
406A90.3Very high86.4Confident7 Ų729 Ų296%0.05814%0.143CC..Hα-helixtrans-60-48.3178.900000111.2L402 S408 I409 E410 F485L402-A406 WeakPolarHBondContact O-CB 3.42Å; L402-A406 PolarHBondContact O-N 3.34Å; A406-S408 VanDerWaalsContact C-N 3.32Å; A406-S408 PolarHBondContact O-N 3.4Å; A406-I409 PolarHBondContact O-N 3.47Å; A406-E410 WeakPolarHBondContact O-CG 3.46Å; A406-E410 PolarHBondContact O-N 3.04Å; A406-E410 VanDerWaalsContact O-N 3.09Å; A406-F485 HydrophobicContact CB-CB 4.38Å
407Y86.9Confident84.6Confident44 Ų4430.3 Ų30.317%0.17315%0.145CC..Hα-helixtrans-59.8-41.2176.7176.3-100.2000112.8I368 L369 T377 R403 I409 E410 Y411I368-Y407 HydrophobicContact CG2-CE1 4.45Å; L369-Y407 VanDerWaalsContact CD2-CB 3.4Å; L369-Y407 HydrophobicContact CD2-CD1 3.6Å; L369-Y407 HydrophobicContact CD2-CD2 3.55Å; L369-Y407 HydrophobicContact CD2-CE1 4.24Å; L369-Y407 HydrophobicContact CD2-CE2 4.19Å; L369-Y407 HydrophobicContact CD2-CG 3.21Å; T377-Y407 HydrophobicContact CG2-CD1 4.28Å; R403-Y407 WeakPolarHBondContact O-CB 3.46Å; R403-Y407 PolarHBondContact O-N 3.21Å; R403-Y407 VanDerWaalsContact O-N 3.08Å; Y407-I409 VanDerWaalsContact C-N 3.34Å; Y407-I409 PolarHBondContact O-N 3.21Å; Y407-E410 PolarHBondContact O-N 3.16Å; Y407-Y411 WeakPolarHBondContact O-CB 3.27Å; Y407-Y411 PolarHBondContact O-N 3.5Å
408S85.3Confident82.6Confident0 Ų032.4 Ų32.40%016%0.16CC..Hα-helixtrans-60.9-43.4179.8-169.10000112.3T377 I404 L405 A406 E412 Y452T377-S408 VanDerWaalsContact CB-OG 3.27Å; T377-S408 WeakPolarHBondContact CB-OG 3.24Å; T377-S408 PolarHBondContact OG1-OG 3.38Å; I404-S408 WeakPolarHBondContact O-CB 3.36Å; I404-S408 PolarHBondContact O-N 2.91Å; L405-S408 PolarHBondContact O-N 3.09Å; A406-S408 VanDerWaalsContact C-N 3.32Å; A406-S408 PolarHBondContact O-N 3.4Å; S408-E412 WeakPolarHBondContact O-CB 3.2Å; S408-E412 PolarHBondContact O-N 3.15Å; S408-Y452 PolarHBondContact OG-OH 2.87Å
409I85.6Confident80.3Confident0 Ų036.6 Ų36.60%019%0.185CC..Hα-helixtrans-65.6-48.8177.8-64.7156.5000110.9L405 A406 Y407 Y411 E412 Q413 F453 I456 F485 S488 L489L405-I409 WeakPolarHBondContact O-CD1 3.34Å; L405-I409 WeakPolarHBondContact O-CG1 3.38Å; L405-I409 PolarHBondContact O-N 3.01Å; A406-I409 PolarHBondContact O-N 3.47Å; Y407-I409 VanDerWaalsContact C-N 3.34Å; Y407-I409 PolarHBondContact O-N 3.21Å; I409-Y411 VanDerWaalsContact C-N 3.29Å; I409-Y411 PolarHBondContact O-N 2.92Å; I409-E412 PolarHBondContact O-N 3.31Å; I409-Q413 WeakPolarHBondContact O-CG 3.46Å; I409-Q413 PolarHBondContact O-N 3.24Å; I409-F453 HydrophobicContact CG2-CD2 4.47Å; I409-F453 HydrophobicContact CG2-CE2 3.95Å; I409-I456 HydrophobicContact CD1-CG2 3.95Å; I409-I456 HydrophobicContact CG1-CD1 4.05Å; I409-I456 HydrophobicContact CG1-CG2 4.18Å; I409-F485 HydrophobicContact CD1-CD2 3.59Å; I409-F485 HydrophobicContact CD1-CE2 3.45Å; I409-F485 VanDerWaalsContact CD1-CE2 3.45Å; I409-F485 HydrophobicContact CD1-CZ 4.35Å; I409-S488 WeakPolarHBondContact CD1-OG 3.34Å; I409-S488 VanDerWaalsContact CG2-O 3.3Å; I409-S488 WeakPolarHBondContact CG2-O 3.37Å; I409-L489 HydrophobicContact CD1-CD2 3.53Å; I409-L489 HydrophobicContact CD1-CG 4.31Å; I409-L489 HydrophobicContact CG1-CD2 4.23Å; I409-L489 HydrophobicContact CG2-CD2 4.31Å
410E81.4Confident77.8Confident74 Ų7438.4 Ų38.435%0.34620%0.198SC..Hα-helixtrans-59.1-43.8-179.3-70.9-173.4161.100111.1A406 Y407 Q413 L414A406-E410 WeakPolarHBondContact O-CG 3.46Å; A406-E410 PolarHBondContact O-N 3.04Å; A406-E410 VanDerWaalsContact O-N 3.09Å; Y407-E410 PolarHBondContact O-N 3.16Å; E410-Q413 PolarHBondContact O-N 2.75Å; E410-L414 WeakPolarHBondContact O-CG 3.48Å; E410-L414 PolarHBondContact O-N 3.29Å
411Y78.5Confident75.1Confident49 Ų4942.5 Ų42.519%0.19223%0.227CC..Hα-helixtrans-66.4-44.7179.1-164.4-68000112K372 I374 Y407 I409 Q413 L414 Q415K372-Y411 HydrophobicContact CB-CE2 4.45Å; I374-Y411 HydrophobicContact CB-CD1 4.24Å; I374-Y411 HydrophobicContact CB-CE1 4.34Å; I374-Y411 HydrophobicContact CD1-CD1 3.69Å; I374-Y411 HydrophobicContact CD1-CD2 4.48Å; I374-Y411 HydrophobicContact CD1-CE1 3Å; I374-Y411 HydrophobicContact CD1-CE2 3.9Å; I374-Y411 HydrophobicContact CD1-CG 4.38Å; I374-Y411 WeakPolarHBondContact CD1-OH 3.28Å; I374-Y411 HydrophobicContact CG1-CD1 3Å; I374-Y411 HydrophobicContact CG1-CD2 4.13Å; I374-Y411 HydrophobicContact CG1-CE1 2.92Å; I374-Y411 HydrophobicContact CG1-CE2 4.05Å; I374-Y411 HydrophobicContact CG1-CG 3.65Å; I374-Y411 VanDerWaalsContact CG1-CZ 3.48Å; I374-Y411 HydrophobicContact CG2-CD1 4.24Å; Y407-Y411 WeakPolarHBondContact O-CB 3.27Å; Y407-Y411 PolarHBondContact O-N 3.5Å; I409-Y411 VanDerWaalsContact C-N 3.29Å; I409-Y411 PolarHBondContact O-N 2.92Å; Y411-Q413 VanDerWaalsContact C-N 3.28Å; Y411-Q413 PolarHBondContact O-N 2.8Å; Y411-L414 WeakPolarHBondContact O-CB 3.46Å; Y411-L414 PolarHBondContact O-N 3.17Å; Y411-L414 VanDerWaalsContact O-N 3.15Å; Y411-Q415 HydrophobicContact CD1-CG 3.71Å; Y411-Q415 HydrophobicContact CE1-CG 3.24Å; Y411-Q415 VanDerWaalsContact CE1-NE2 3.28Å; Y411-Q415 PolarHBondContact O-N 2.82Å; Y411-Q415 PolarHBondContact OH-NE2 2.89Å; Y411-Q415 VanDerWaalsContact OH-NE2 3.08Å
412E76.9Confident71.8Confident19 Ų1952.3 Ų52.39%0.08926%0.264CS..Hα-helixtrans-57.2-44177.4179.2178.3-151.700111.5S408 I409 L414 Q415 S416 S450 Y452 F453S408-E412 WeakPolarHBondContact O-CB 3.2Å; S408-E412 PolarHBondContact O-N 3.15Å; I409-E412 PolarHBondContact O-N 3.31Å; E412-L414 PolarHBondContact O-N 3.02Å; E412-Q415 PolarHBondContact O-N 3.2Å; E412-S416 PolarHBondContact O-N 3.45Å; E412-S450 WeakPolarHBondContact OE1-CB 3.46Å; E412-S450 PolarHBondContact OE1-OG 2.82Å; E412-Y452 WeakPolarHBondContact OE2-CD1 3.29Å; E412-F453 WeakPolarHBondContact OE2-CB 3.25Å
413Q72.2Confident68.6Low6 Ų661.3 Ų61.33%0.02830%0.299CS..Hα-helixtrans-61.7-43.6176-73.6179-13.300111.6I409 E410 Y411 Q415 S416 M417 F447 S488 L489 N491I409-Q413 WeakPolarHBondContact O-CG 3.46Å; I409-Q413 PolarHBondContact O-N 3.24Å; E410-Q413 PolarHBondContact O-N 2.75Å; Y411-Q413 VanDerWaalsContact C-N 3.28Å; Y411-Q413 PolarHBondContact O-N 2.8Å; Q413-Q415 VanDerWaalsContact C-N 3.35Å; Q413-Q415 PolarHBondContact O-N 3.21Å; Q413-S416 PolarHBondContact O-N 3.13Å; Q413-S416 PolarHBondContact O-OG 3.24Å; Q413-M417 WeakPolarHBondContact O-CG 3.31Å; Q413-M417 PolarHBondContact O-N 3.07Å; Q413-F447 HydrophobicContact CG-CE2 4.27Å; Q413-F447 HydrophobicContact CG-CZ 4.39Å; Q413-S488 VanDerWaalsContact CD-O 3.24Å; Q413-S488 PolarHBondContact NE2-O 2.72Å; Q413-S488 PolarHBondContact OE1-O 3.39Å; Q413-L489 PolarHBondContact NE2-O 2.97Å; Q413-N491 PolarHBondContact OE1-O 3.37Å
414L70.7Confident66Low101 Ų10160.8 Ų60.853%0.52931%0.31SS..Hα-helixtrans-60.6-39176.1-71.3169.5000113.2E410 Y411 E412 M417 S418E410-L414 WeakPolarHBondContact O-CG 3.48Å; E410-L414 PolarHBondContact O-N 3.29Å; Y411-L414 WeakPolarHBondContact O-CB 3.46Å; Y411-L414 PolarHBondContact O-N 3.17Å; Y411-L414 VanDerWaalsContact O-N 3.15Å; E412-L414 PolarHBondContact O-N 3.02Å; L414-M417 PolarHBondContact O-N 2.96Å; L414-S418 PolarHBondContact O-N 2.93Å; L414-S418 VanDerWaalsContact O-N 3.14Å
415Q66.5Low62.9Low85 Ų8572.2 Ų72.240%0.39736%0.355SS..Hα-helixtrans-69-38.5176.1-74.8-72.4-13.200112.9Y411 E412 Q413 M417 S418 T419Y411-Q415 HydrophobicContact CD1-CG 3.71Å; Y411-Q415 HydrophobicContact CE1-CG 3.24Å; Y411-Q415 VanDerWaalsContact CE1-NE2 3.28Å; Y411-Q415 PolarHBondContact O-N 2.82Å; Y411-Q415 PolarHBondContact OH-NE2 2.89Å; Y411-Q415 VanDerWaalsContact OH-NE2 3.08Å; E412-Q415 PolarHBondContact O-N 3.2Å; Q413-Q415 VanDerWaalsContact C-N 3.35Å; Q413-Q415 PolarHBondContact O-N 3.21Å; Q415-M417 PolarHBondContact O-N 3.39Å; Q415-S418 PolarHBondContact O-N 3.43Å; Q415-S418 PolarHBondContact O-OG 3.34Å; Q415-T419 PolarHBondContact O-N 2.85Å; Q415-T419 PolarHBondContact O-OG1 3.39Å
416S64.1Low59.8Low33 Ų3380.2 Ų80.223%0.23139%0.392CS..Hα-helixtrans-61.1-28.8174.776.50000112.1E412 Q413 T419 C420 F447E412-S416 PolarHBondContact O-N 3.45Å; Q413-S416 PolarHBondContact O-N 3.13Å; Q413-S416 PolarHBondContact O-OG 3.24Å; S416-T419 PolarHBondContact O-OG1 3.48Å; S416-T419 VanDerWaalsContact O-OG1 3.05Å; S416-C420 PolarHBondContact O-SG 3.34Å; S416-F447 WeakPolarHBondContact OG-CE2 3.19Å
417M59.2Low56.7Low69 Ų6987.5 Ų87.534%0.3443%0.43SS..Hα-helixtrans-77.2-44175.3-65.1-173.4-164.400112.9Q413 L414 Q415 T419 C420 S421 I492Q413-M417 WeakPolarHBondContact O-CG 3.31Å; Q413-M417 PolarHBondContact O-N 3.07Å; L414-M417 PolarHBondContact O-N 2.96Å; Q415-M417 PolarHBondContact O-N 3.39Å; M417-T419 VanDerWaalsContact C-N 3.25Å; M417-T419 PolarHBondContact O-N 2.88Å; M417-C420 PolarHBondContact O-N 3.34Å; M417-C420 VanDerWaalsContact O-N 3.09Å; M417-S421 PolarHBondContact O-N 3.35Å; M417-I492 HydrophobicContact CE-CB 4.05Å; M417-I492 HydrophobicContact CE-CG1 3.87Å; M417-I492 HydrophobicContact CE-CG2 3.71Å
418S55.6Low54.1Low44 Ų4491.7 Ų91.731%0.30846%0.46SS..Hα-helixtrans-65-29.5-178.869.40000113.1L414 Q415 S421L414-S418 PolarHBondContact O-N 2.93Å; L414-S418 VanDerWaalsContact O-N 3.14Å; Q415-S418 PolarHBondContact O-N 3.43Å; Q415-S418 PolarHBondContact O-OG 3.34Å; S418-S421 PolarHBondContact O-OG 3.18Å; S418-S421 VanDerWaalsContact O-OG 3.07Å
419T48.6Very low51.4Low87 Ų8795.9 Ų95.953%0.53449%0.49SS..Hα-helixtrans-75.4-28174.250.30000112.6Q415 S416 M417Q415-T419 PolarHBondContact O-N 2.85Å; Q415-T419 PolarHBondContact O-OG1 3.39Å; S416-T419 PolarHBondContact O-OG1 3.48Å; S416-T419 VanDerWaalsContact O-OG1 3.05Å; M417-T419 VanDerWaalsContact C-N 3.25Å; M417-T419 PolarHBondContact O-N 2.88Å
420C45.1Very low48.7Very low68 Ų68102.1 Ų102.146%0.45952%0.523SS..Hα-helixtrans-73.5-27.2174.6-73.40000113.3S416 M417S416-C420 PolarHBondContact O-SG 3.34Å; M417-C420 PolarHBondContact O-N 3.34Å; M417-C420 VanDerWaalsContact O-N 3.09Å
421S39Very low46.1Very low95 Ų95106.6 Ų106.666%0.66454%0.544SS*.THydrogen-bonded Turntrans-84.8-7.8179.964.10000114.8M417 S418M417-S421 PolarHBondContact O-N 3.35Å; S418-S421 PolarHBondContact O-OG 3.18Å; S418-S421 VanDerWaalsContact O-OG 3.07Å
422R27.2Very low43.8Very low206 Ų206108.9 Ų108.978%0.77757%0.567SS**  trans-109.473.9-177.6-72.2-176.5179.5174.80.7111.7
423Y29.4Very low41.5Very low191 Ų191113.4 Ų113.475%0.74960%0.601SS**SBendtrans-133.2134.9149.8-94.5-86000108.8
424P37.8Very low39.3Very low98 Ų98117.8 Ų117.864%0.63663%0.632SS**  trans-89.9151.4-143.733.9-32.1000112.5E426P424-E426 VanDerWaalsContact C-N 3.3Å; P424-E426 PolarHBondContact O-N 3.16Å
425Y27.6Very low37.2Very low241 Ų241121.8 Ų121.895%0.94565%0.653SS**  trans-51.397.2155.7-98.6-102.7000108.1
426E27.1Very low35.3Very low168 Ų168124.5 Ų124.579%0.78567%0.669SS**  trans-75.2130.6157.6-79.8-176.5165.800107.9P424 V428P424-E426 VanDerWaalsContact C-N 3.3Å; P424-E426 PolarHBondContact O-N 3.16Å; E426-V428 PolarHBondContact O-N 2.82Å
427D27.1Very low33.5Very low159 Ų159130.5 Ų130.585%0.8570%0.698SS**  trans-18.6111.1172.7-75.9-51.3000115.9
428V31.3Very low32Very low133 Ų133135.4 Ų135.481%0.80673%0.725SS**  trans-128.987.1145.9-170.20000107.6E426E426-V428 PolarHBondContact O-N 2.82Å
429S28.9Very low30.6Very low88 Ų88137.5 Ų137.562%0.61574%0.739SS**  trans-50.6139.8149.147.90000109.5
430N28.1Very low30Very low130 Ų130139 Ų13970%0.69575%0.753SS**  trans107.8110.1167.3-60.5-32.9000117.4
431Q28.2Very low29.6Very low168 Ų168140.9 Ų140.979%0.78577%0.768SS**  80.899.4129.9-67.5-179.35.100118.2
432S28.2Very low29.2Very low97 Ų97140.9 Ų140.968%0.67877%0.767SS**  56115.4126.852.50000119.2
433S28.6Very low29.4Very low115 Ų115135.9 Ų135.980%0.80476%0.764SS**  trans65.571.2134.6-49.60000116.1
434S27.2Very low30Very low97 Ų97134.4 Ų134.468%0.67876%0.758SS**  trans-156.2106.3142.9-69.30000108.8L436S434-L436 PolarHBondContact O-N 3.24Å
435L27.4Very low30.2Very low186 Ų186137.6 Ų137.697%0.97476%0.757SS**  trans-61.863156.4-88.3147.3000108.8L437L435-L437 PolarHBondContact O-N 3.34Å
436L26.3Very low31.2Very low141 Ų141132 Ų13274%0.73874%0.743SS**  trans-66.495.9166.8-82163.9000106S434 L438S434-L436 PolarHBondContact O-N 3.24Å; L436-L438 PolarHBondContact O-N 3.07Å
437L25.6Very low32.5Very low160 Ų160125.9 Ų125.984%0.83871%0.714SS**  trans1.699.2138.1-72.5155.1000110L435 S439L435-L437 PolarHBondContact O-N 3.34Å; L437-S439 PolarHBondContact O-N 3.27Å
438L26.9Very low34.1Very low171 Ų171127.7 Ų127.790%0.89571%0.714SS**  trans-47.998.9168.1-76.9157.6000106.7L436 S440L436-L438 PolarHBondContact O-N 3.07Å; L438-S440 PolarHBondContact O-N 2.83Å; L438-S440 VanDerWaalsContact O-N 3.15Å
439S26.3Very low35.7Very low88 Ų88123.7 Ų123.762%0.61569%0.687SS**  trans-57.2119.3173.334.40000106.4L437 S441L437-S439 PolarHBondContact O-N 3.27Å; S439-S441 PolarHBondContact O-N 3.44Å
440S36.4Very low37.9Very low119 Ų119121.4 Ų121.483%0.83267%0.671SS**SBendtrans-67.333.7-168.7100000114.4L438L438-S440 PolarHBondContact O-N 2.83Å; L438-S440 VanDerWaalsContact O-N 3.15Å
441S35.9Very low40.3Very low108 Ų108121.2 Ų121.276%0.75567%0.67SS**  trans-151.839.2-170.247.40000114.2S439S439-S441 PolarHBondContact O-N 3.44Å
442S31.1Very low42.8Very low94 Ų94114.6 Ų114.666%0.65764%0.638SS**SBendtrans-134.2109.2166.163.30000112.2
443S31.8Very low45.4Very low101 Ų101110 Ų11071%0.70661%0.606SS**  trans98.741.6156.6-44.90000119.4R445S443-R445 PolarHBondContact O-N 3.41Å
444Y41.4Very low48.1Very low161 Ų161109 Ų10963%0.63159%0.587SS**  trans-76.878.7149.9-61.6-71.6000108.6L446Y444-L446 PolarHBondContact O-N 3.03Å; Y444-L446 VanDerWaalsContact O-N 3.11Å
445R43.3Very low51Low164 Ų164108.2 Ų108.262%0.61958%0.575SS**  trans-62.7115.9172-75.3-176.1-178.6-178.91.8107.8S443 F447S443-R445 PolarHBondContact O-N 3.41Å; R445-F447 PolarHBondContact O-N 3.03Å
446L48.1Very low53.9Low124 Ų12499.5 Ų99.565%0.64953%0.529SS*.  trans-41.7123173-78.3150.2000110.1Y444 K448Y444-L446 PolarHBondContact O-N 3.03Å; Y444-L446 VanDerWaalsContact O-N 3.11Å; L446-K448 PolarHBondContact O-N 3.26Å
447F54.5Low56.9Low39 Ų3992.8 Ų92.817%0.17150%0.495CS..  trans-50.5113.9173.2173.8-100.8000109.3Q413 S416 R445 E449 F453 T509Q413-F447 HydrophobicContact CG-CE2 4.27Å; Q413-F447 HydrophobicContact CG-CZ 4.39Å; S416-F447 WeakPolarHBondContact OG-CE2 3.19Å; R445-F447 PolarHBondContact O-N 3.03Å; F447-E449 HydrophobicContact CD1-CG 4.05Å; F447-E449 HydrophobicContact CE1-CB 4.26Å; F447-E449 HydrophobicContact CE1-CG 3.82Å; F447-E449 PolarHBondContact O-N 3.22Å; F447-F453 HydrophobicContact CE1-CD1 4.03Å; F447-F453 AromaticContact CE1-CE1 3.97Å; F447-F453 HydrophobicContact CE1-CE1 3.97Å; F447-F453 HydrophobicContact CE1-CG 4.4Å; F447-F453 HydrophobicContact CE1-CZ 4.32Å; F447-F453 HydrophobicContact CZ-CD1 4.39Å; F447-F453 HydrophobicContact CZ-CD2 4.37Å; F447-F453 HydrophobicContact CZ-CE1 4.5Å; F447-F453 HydrophobicContact CZ-CE2 4.49Å; F447-F453 HydrophobicContact CZ-CG 4.32Å; F447-T509 HydrophobicContact CB-CG2 3.72Å
448K60.8Low60.1Low197 Ų19790.5 Ų90.586%0.85748%0.478SS*.  trans-83.7104.4171.4-78.8-172.6178.1-179.60108.1L446 S450L446-K448 PolarHBondContact O-N 3.26Å; K448-S450 PolarHBondContact O-N 3.42Å
449E65.3Low63.2Low50 Ų5085.8 Ų85.823%0.23445%0.453CS..  trans-52.4122.2173.2-65.8178.7172.900110.4F447 F453 K454 T512F447-E449 HydrophobicContact CD1-CG 4.05Å; F447-E449 HydrophobicContact CE1-CB 4.26Å; F447-E449 HydrophobicContact CE1-CG 3.82Å; F447-E449 PolarHBondContact O-N 3.22Å; E449-F453 HydrophobicContact CB-CD1 4.16Å; E449-F453 HydrophobicContact CG-CD1 3.92Å; E449-F453 HydrophobicContact CG-CE1 4.21Å; E449-K454 HydrophobicContact CB-CD 4.44Å; E449-K454 HydrophobicContact CB-CG 3.99Å; E449-K454 WeakPolarHBondContact OE2-CE 3.5Å; E449-K454 VanDerWaalsContact OE2-CG 3.27Å; E449-K454 WeakPolarHBondContact OE2-CG 3.42Å; E449-T512 PolarHBondContact OE1-OG1 3.47Å
450S73.9Confident66.3Low40 Ų4087.5 Ų87.528%0.2846%0.455SS..  trans-67.8160.4171.194.70000110.6E412 K448 Y452 F453 K454E412-S450 WeakPolarHBondContact OE1-CB 3.46Å; E412-S450 PolarHBondContact OE1-OG 2.82Å; K448-S450 PolarHBondContact O-N 3.42Å; S450-Y452 PolarHBondContact O-N 3.5Å; S450-Y452 WeakPolarHBondContact OG-CB 3.47Å; S450-Y452 PolarHBondContact OG-N 3.05Å; S450-F453 PolarHBondContact O-N 3.18Å; S450-F453 PolarHBondContact OG-N 2.93Å; S450-K454 WeakPolarHBondContact O-CG 3.47Å; S450-K454 PolarHBondContact O-N 2.87Å
451N79.2Confident69.1Low126 Ų12683.3 Ų83.367%0.67442%0.423SS*.Hα-helixtrans-60.4-29.8171.9-74.1-19.6000112.4N455N451-N455 WeakPolarHBondContact O-CB 3.49Å; N451-N455 VanDerWaalsContact O-CG 3.29Å; N451-N455 PolarHBondContact O-N 3.28Å; N451-N455 VanDerWaalsContact O-N 3.11Å; N451-N455 PolarHBondContact O-ND2 2.96Å
452Y80.4Confident72Confident28 Ų2878.1 Ų78.111%0.1139%0.387CS..Hα-helixtrans-70.5-49.3177.1171.7-104.3000111.5T377 H378 S381 S408 E412 S450 K454 N455 I456T377-Y452 PolarHBondContact O-OH 2.97Å; H378-Y452 VanDerWaalsContact CA-CE2 3.4Å; H378-Y452 HydrophobicContact CB-CD2 4.03Å; H378-Y452 HydrophobicContact CB-CE2 3.87Å; H378-Y452 HydrophobicContact CB-CG 4.48Å; H378-Y452 AromaticContact CD2-CD1 3.75Å; H378-Y452 AromaticContact CD2-CE1 3.33Å; H378-Y452 WeakPolarHBondContact CD2-CE1 3.44Å; H378-Y452 AromaticContact CD2-CZ 3.49Å; H378-Y452 VanDerWaalsContact CD2-CZ 3.49Å; H378-Y452 AromaticContact CE1-CD1 3.43Å; H378-Y452 VanDerWaalsContact CE1-CD1 3.43Å; H378-Y452 WeakPolarHBondContact CE1-CD1 3.42Å; H378-Y452 AromaticContact CE1-CE1 3.81Å; H378-Y452 AromaticContact CE1-CG 3.85Å; H378-Y452 AromaticContact CG-CD1 3.87Å; H378-Y452 AromaticContact CG-CD2 3.93Å; H378-Y452 AromaticContact CG-CE1 3.8Å; H378-Y452 AromaticContact CG-CE2 3.88Å; H378-Y452 AromaticContact CG-CG 3.9Å; H378-Y452 AromaticContact CG-CZ 3.77Å; H378-Y452 AromaticContact ND1-CD1 3.67Å; H378-Y452 AromaticContact ND1-CG 3.64Å; H378-Y452 AromaticContact NE2-CD1 3.5Å; H378-Y452 AromaticContact NE2-CE1 3.38Å; H378-Y452 WeakPolarHBondContact NE2-CE1 3.47Å; H378-Y452 WeakPolarHBondContact O-CE2 3.08Å; S381-Y452 WeakPolarHBondContact CB-OH 3.25Å; S381-Y452 PolarHBondContact OG-OH 2.75Å; S408-Y452 PolarHBondContact OG-OH 2.87Å; E412-Y452 WeakPolarHBondContact OE2-CD1 3.29Å; S450-Y452 PolarHBondContact O-N 3.5Å; S450-Y452 WeakPolarHBondContact OG-CB 3.47Å; S450-Y452 PolarHBondContact OG-N 3.05Å; Y452-K454 VanDerWaalsContact C-N 3.28Å; Y452-K454 PolarHBondContact O-N 2.95Å; Y452-N455 WeakPolarHBondContact O-CA 3.44Å; Y452-N455 WeakPolarHBondContact O-CB 3.34Å; Y452-N455 PolarHBondContact O-N 3.22Å; Y452-I456 HydrophobicContact CD1-CD1 4.23Å; Y452-I456 HydrophobicContact CE1-CD1 3.45Å; Y452-I456 VanDerWaalsContact CE1-CD1 3.45Å; Y452-I456 HydrophobicContact CE1-CG1 4.44Å; Y452-I456 HydrophobicContact CE2-CD1 3.89Å; Y452-I456 HydrophobicContact CE2-CG1 4.25Å; Y452-I456 PolarHBondContact O-N 3.34Å; Y452-I456 WeakPolarHBondContact OH-CD1 3.45Å
453F83.7Confident75.1Confident0 Ų079.8 Ų79.80%038%0.38CS..Hα-helixtrans-56.1-43.6175.1-172.6-96.9000111.6I409 E412 F447 E449 S450 N455 I456 C457 L489 I513I409-F453 HydrophobicContact CG2-CD2 4.47Å; I409-F453 HydrophobicContact CG2-CE2 3.95Å; E412-F453 WeakPolarHBondContact OE2-CB 3.25Å; F447-F453 HydrophobicContact CE1-CD1 4.03Å; F447-F453 AromaticContact CE1-CE1 3.97Å; F447-F453 HydrophobicContact CE1-CE1 3.97Å; F447-F453 HydrophobicContact CE1-CG 4.4Å; F447-F453 HydrophobicContact CE1-CZ 4.32Å; F447-F453 HydrophobicContact CZ-CD1 4.39Å; F447-F453 HydrophobicContact CZ-CD2 4.37Å; F447-F453 HydrophobicContact CZ-CE1 4.5Å; F447-F453 HydrophobicContact CZ-CE2 4.49Å; F447-F453 HydrophobicContact CZ-CG 4.32Å; E449-F453 HydrophobicContact CB-CD1 4.16Å; E449-F453 HydrophobicContact CG-CD1 3.92Å; E449-F453 HydrophobicContact CG-CE1 4.21Å; S450-F453 PolarHBondContact O-N 3.18Å; S450-F453 PolarHBondContact OG-N 2.93Å; F453-N455 VanDerWaalsContact C-N 3.31Å; F453-N455 PolarHBondContact O-N 2.88Å; F453-I456 PolarHBondContact O-N 3Å; F453-C457 WeakPolarHBondContact CE1-SG 3.35Å; F453-C457 WeakPolarHBondContact O-CB 3.27Å; F453-C457 PolarHBondContact O-N 2.91Å; F453-C457 PolarHBondContact O-SG 3.03Å; F453-L489 HydrophobicContact CE2-CD2 4.44Å; F453-I513 HydrophobicContact CE1-CD1 3.42Å; F453-I513 VanDerWaalsContact CE1-CD1 3.42Å; F453-I513 HydrophobicContact CE1-CG1 4.43Å; F453-I513 HydrophobicContact CZ-CD1 3.4Å
454K84.9Confident78.1Confident96 Ų9675.9 Ų75.942%0.41735%0.351SS..Hα-helixtrans-58.9-40.7174.2-74.1177.6-175178.50112.9E449 S450 Y452 C457 K458E449-K454 HydrophobicContact CB-CD 4.44Å; E449-K454 HydrophobicContact CB-CG 3.99Å; E449-K454 WeakPolarHBondContact OE2-CE 3.5Å; E449-K454 VanDerWaalsContact OE2-CG 3.27Å; E449-K454 WeakPolarHBondContact OE2-CG 3.42Å; S450-K454 WeakPolarHBondContact O-CG 3.47Å; S450-K454 PolarHBondContact O-N 2.87Å; Y452-K454 VanDerWaalsContact C-N 3.28Å; Y452-K454 PolarHBondContact O-N 2.95Å; K454-C457 CarbonylContact O-C 3.5Å; K454-C457 PolarHBondContact O-N 2.75Å; K454-K458 PolarHBondContact O-N 3.37Å
455N86.8Confident80.8Confident79 Ų7968.2 Ų68.242%0.42232%0.321SS..Hα-helixtrans-67.7-40.9178.9-80.5-30000112.1N451 Y452 F453 K458 N461N451-N455 WeakPolarHBondContact O-CB 3.49Å; N451-N455 VanDerWaalsContact O-CG 3.29Å; N451-N455 PolarHBondContact O-N 3.28Å; N451-N455 VanDerWaalsContact O-N 3.11Å; N451-N455 PolarHBondContact O-ND2 2.96Å; Y452-N455 WeakPolarHBondContact O-CA 3.44Å; Y452-N455 WeakPolarHBondContact O-CB 3.34Å; Y452-N455 PolarHBondContact O-N 3.22Å; F453-N455 VanDerWaalsContact C-N 3.31Å; F453-N455 PolarHBondContact O-N 2.88Å; N455-K458 WeakPolarHBondContact O-CG 3.33Å; N455-K458 PolarHBondContact O-N 3.47Å; N455-K458 VanDerWaalsContact OD1-CE 3.28Å; N455-K458 WeakPolarHBondContact OD1-CE 3.41Å; N455-K458 PolarHBondContact OD1-NZ 2.79Å; N455-N461 PolarHBondContact O-ND2 3.21Å
456I88.9Confident83.4Confident3 Ų360.4 Ų60.42%0.01529%0.291CS..Hα-helixtrans-62.6-45.8172.3-73.1179.4000110.4F385 I409 Y452 F453 K458 N461 F485 L489F385-I456 HydrophobicContact CE2-CG1 4.41Å; F385-I456 HydrophobicContact CZ-CG2 4.33Å; I409-I456 HydrophobicContact CD1-CG2 3.95Å; I409-I456 HydrophobicContact CG1-CD1 4.05Å; I409-I456 HydrophobicContact CG1-CG2 4.18Å; Y452-I456 HydrophobicContact CD1-CD1 4.23Å; Y452-I456 HydrophobicContact CE1-CD1 3.45Å; Y452-I456 VanDerWaalsContact CE1-CD1 3.45Å; Y452-I456 HydrophobicContact CE1-CG1 4.44Å; Y452-I456 HydrophobicContact CE2-CD1 3.89Å; Y452-I456 HydrophobicContact CE2-CG1 4.25Å; Y452-I456 PolarHBondContact O-N 3.34Å; Y452-I456 WeakPolarHBondContact OH-CD1 3.45Å; F453-I456 PolarHBondContact O-N 3Å; I456-K458 PolarHBondContact O-N 3.46Å; I456-N461 WeakPolarHBondContact O-CB 3.39Å; I456-N461 PolarHBondContact O-ND2 2.94Å; I456-F485 HydrophobicContact CG2-CE2 4Å; I456-F485 HydrophobicContact CG2-CZ 4.1Å; I456-L489 HydrophobicContact CG2-CD2 4.19Å
457C90Very high85.6Confident1 Ų156.7 Ų56.71%0.00727%0.274CS..THydrogen-bonded Turntrans-74.614.7-177.9-63.90000114.3F453 K454 K516F453-C457 WeakPolarHBondContact CE1-SG 3.35Å; F453-C457 WeakPolarHBondContact O-CB 3.27Å; F453-C457 PolarHBondContact O-N 2.91Å; F453-C457 PolarHBondContact O-SG 3.03Å; K454-C457 CarbonylContact O-C 3.5Å; K454-C457 PolarHBondContact O-N 2.75Å; C457-K516 WeakPolarHBondContact O-CD 3.28Å; C457-K516 WeakPolarHBondContact O-CE 3.41Å; C457-K516 PolarHBondContact O-NZ 3.46Å
458K92.1Very high87.7Confident112 Ų11254.8 Ų54.849%0.48727%0.265SS..  trans-61.7139.3171.3-77.5177.8-179.8176.20109.5K454 N455 I456 N460 N461 L462K454-K458 PolarHBondContact O-N 3.37Å; N455-K458 WeakPolarHBondContact O-CG 3.33Å; N455-K458 PolarHBondContact O-N 3.47Å; N455-K458 VanDerWaalsContact OD1-CE 3.28Å; N455-K458 WeakPolarHBondContact OD1-CE 3.41Å; N455-K458 PolarHBondContact OD1-NZ 2.79Å; I456-K458 PolarHBondContact O-N 3.46Å; K458-N460 PolarHBondContact O-N 3.4Å; K458-N461 WeakPolarHBondContact O-CB 3.23Å; K458-N461 PolarHBondContact O-N 2.93Å; K458-L462 PolarHBondContact O-N 3.26Å
459I91.6Very high89.4Confident72 Ų7245.4 Ų45.437%0.36923%0.225SC..Hα-helixtrans-57.5-36.6-175.5-164.7164.7000112.6N461 L462 Y463 T519 I520I459-N461 VanDerWaalsContact C-N 3.33Å; I459-N461 PolarHBondContact O-N 2.99Å; I459-L462 PolarHBondContact O-N 2.77Å; I459-Y463 VanDerWaalsContact O-CB 3.29Å; I459-Y463 WeakPolarHBondContact O-CB 3.09Å; I459-Y463 PolarHBondContact O-N 3.49Å; I459-T519 HydrophobicContact CD1-CG2 3.68Å; I459-I520 HydrophobicContact CD1-CG2 4.47Å; I459-I520 HydrophobicContact CG1-CG2 3.85Å
460N91.8Very high90.9Very high123 Ų12346.9 Ų46.966%0.65823%0.23SC*.Hα-helixtrans-63.4-37.4177.8-66.4-2.3000112.5K458 L464K458-N460 PolarHBondContact O-N 3.4Å; N460-L464 VanDerWaalsContact O-CB 3.31Å; N460-L464 WeakPolarHBondContact O-CB 3.29Å; N460-L464 PolarHBondContact O-N 2.86Å
461N94.9Very high91.7Very high31 Ų3149.9 Ų49.917%0.16624%0.238CC..Hα-helixtrans-69.2-44.4178.5-67.8-3.3000110.8F385 N455 I456 K458 I459 Y463 L464 V465F385-N461 HydrophobicContact CD1-CB 3.91Å; F385-N461 HydrophobicContact CD2-CB 4.37Å; F385-N461 HydrophobicContact CE1-CB 3.66Å; F385-N461 HydrophobicContact CE2-CB 4.14Å; F385-N461 WeakPolarHBondContact CE2-ND2 3.37Å; F385-N461 HydrophobicContact CG-CB 4.27Å; F385-N461 HydrophobicContact CZ-CB 3.78Å; N455-N461 PolarHBondContact O-ND2 3.21Å; I456-N461 WeakPolarHBondContact O-CB 3.39Å; I456-N461 PolarHBondContact O-ND2 2.94Å; K458-N461 WeakPolarHBondContact O-CB 3.23Å; K458-N461 PolarHBondContact O-N 2.93Å; I459-N461 VanDerWaalsContact C-N 3.33Å; I459-N461 PolarHBondContact O-N 2.99Å; N461-Y463 VanDerWaalsContact C-N 3.34Å; N461-L464 WeakPolarHBondContact O-CB 3.41Å; N461-L464 PolarHBondContact O-N 3.37Å; N461-V465 WeakPolarHBondContact O-CG2 3.4Å; N461-V465 PolarHBondContact O-N 2.75Å; N461-V465 VanDerWaalsContact O-N 3.09Å
462L96.9Very high92.4Very high0 Ų044.7 Ų44.70%021%0.21CC..Hα-helixtrans-63-43.4176.6-56-177.4000111.2K458 I459 V465 L466 F485 F486 L489 K516 L517 I520K458-L462 PolarHBondContact O-N 3.26Å; I459-L462 PolarHBondContact O-N 2.77Å; L462-V465 PolarHBondContact O-N 3.07Å; L462-L466 PolarHBondContact O-N 2.88Å; L462-L466 VanDerWaalsContact O-N 3.13Å; L462-F485 HydrophobicContact CD2-CE1 3.8Å; L462-F485 HydrophobicContact CD2-CZ 4.02Å; L462-F486 HydrophobicContact CB-CE1 4.16Å; L462-F486 HydrophobicContact CD2-CE1 4.17Å; L462-F486 WeakPolarHBondContact O-CZ 3.25Å; L462-L489 HydrophobicContact CD2-CD1 3.44Å; L462-L489 VanDerWaalsContact CD2-CD1 3.44Å; L462-K516 HydrophobicContact CD1-CB 3.86Å; L462-K516 HydrophobicContact CD1-CD 4.24Å; L462-L517 HydrophobicContact CD1-CD2 4.38Å; L462-I520 HydrophobicContact CB-CD1 3.83Å; L462-I520 HydrophobicContact CB-CG2 4.41Å
463Y96.5Very high92.9Very high129 Ų12946 Ų4651%0.50622%0.218SC..Hα-helixtrans-63-41.2175.8-175.4-104.6000111.9I459 N461 V465 L466 V467 I520I459-Y463 VanDerWaalsContact O-CB 3.29Å; I459-Y463 WeakPolarHBondContact O-CB 3.09Å; I459-Y463 PolarHBondContact O-N 3.49Å; N461-Y463 VanDerWaalsContact C-N 3.34Å; Y463-V465 PolarHBondContact O-N 3.47Å; Y463-L466 PolarHBondContact O-N 3.19Å; Y463-V467 HydrophobicContact CD1-CG2 3.89Å; Y463-V467 HydrophobicContact CE1-CG2 3.48Å; Y463-V467 VanDerWaalsContact CE1-CG2 3.48Å; Y463-V467 HydrophobicContact CE2-CG2 4.17Å; Y463-V467 HydrophobicContact CG-CG2 4.4Å; Y463-V467 WeakPolarHBondContact O-CG2 3.49Å; Y463-V467 PolarHBondContact O-N 3.39Å; Y463-I520 HydrophobicContact CD2-CB 4.5Å
464L95.7Very high93.3Very high19 Ų1953.9 Ų53.910%0.09926%0.255CS..Hα-helixtrans-59.2-47.7176.2175.660.8000112F385 Y389 N460 N461 L466 V467 I468F385-L464 HydrophobicContact CB-CD2 4.19Å; F385-L464 HydrophobicContact CD1-CD2 4.25Å; F385-L464 WeakPolarHBondContact O-CD2 3.22Å; Y389-L464 HydrophobicContact CD2-CD1 3.94Å; N460-L464 VanDerWaalsContact O-CB 3.31Å; N460-L464 WeakPolarHBondContact O-CB 3.29Å; N460-L464 PolarHBondContact O-N 2.86Å; N461-L464 WeakPolarHBondContact O-CB 3.41Å; N461-L464 PolarHBondContact O-N 3.37Å; L464-L466 VanDerWaalsContact C-N 3.29Å; L464-L466 PolarHBondContact O-N 3.2Å; L464-V467 PolarHBondContact O-N 3.35Å; L464-I468 HydrophobicContact CD1-CD1 3.82Å; L464-I468 HydrophobicContact CD1-CG1 4.25Å; L464-I468 HydrophobicContact CG-CD1 3.91Å; L464-I468 WeakPolarHBondContact O-CG1 3.5Å; L464-I468 PolarHBondContact O-N 2.99Å
465V97.6Very high93.7Very high0 Ų054.9 Ų54.90%026%0.257CS..Hα-helixtrans-58.3-44.5176.7174.30000110.5F385 M388 L402 N461 L462 Y463 I468 M469 F485 F486F385-V465 HydrophobicContact CE1-CG2 4.09Å; M388-V465 HydrophobicContact CE-CG2 4.23Å; L402-V465 HydrophobicContact CD2-CG1 3.91Å; L402-V465 HydrophobicContact CD2-CG2 4.1Å; N461-V465 WeakPolarHBondContact O-CG2 3.4Å; N461-V465 PolarHBondContact O-N 2.75Å; N461-V465 VanDerWaalsContact O-N 3.09Å; L462-V465 PolarHBondContact O-N 3.07Å; Y463-V465 PolarHBondContact O-N 3.47Å; V465-I468 PolarHBondContact O-N 2.85Å; V465-M469 HydrophobicContact CG1-SD 4.11Å; V465-M469 WeakPolarHBondContact O-CG 3.48Å; V465-M469 PolarHBondContact O-N 2.85Å; V465-F485 HydrophobicContact CB-CD1 4.35Å; V465-F485 HydrophobicContact CB-CE1 4.29Å; V465-F485 HydrophobicContact CG1-CD1 3.94Å; V465-F485 HydrophobicContact CG1-CE1 4.38Å; V465-F485 HydrophobicContact CG2-CD1 4.07Å; V465-F485 HydrophobicContact CG2-CE1 3.83Å; V465-F485 HydrophobicContact CG2-CZ 4.26Å; V465-F486 HydrophobicContact CB-CE2 4.46Å; V465-F486 HydrophobicContact CB-CZ 4.04Å; V465-F486 HydrophobicContact CG1-CE2 3.82Å; V465-F486 HydrophobicContact CG1-CZ 3.89Å
466L97.7Very high94.1Very high0 Ų052.9 Ų52.90%025%0.248CC..Hα-helixtrans-64.1-42177.7-175.162000112.7L462 Y463 L464 I468 M469 K470 F486 I520 L522 H525L462-L466 PolarHBondContact O-N 2.88Å; L462-L466 VanDerWaalsContact O-N 3.13Å; Y463-L466 PolarHBondContact O-N 3.19Å; L464-L466 VanDerWaalsContact C-N 3.29Å; L464-L466 PolarHBondContact O-N 3.2Å; L466-I468 VanDerWaalsContact C-N 3.31Å; L466-I468 PolarHBondContact O-N 3.23Å; L466-M469 WeakPolarHBondContact O-CB 3.03Å; L466-M469 PolarHBondContact O-N 3.15Å; L466-K470 HydrophobicContact CG-CD 4.49Å; L466-K470 WeakPolarHBondContact O-CG 3.49Å; L466-K470 PolarHBondContact O-N 2.73Å; L466-F486 HydrophobicContact CB-CZ 4.27Å; L466-I520 HydrophobicContact CD2-CB 4.19Å; L466-I520 HydrophobicContact CD2-CD1 4.33Å; L466-I520 HydrophobicContact CD2-CG1 4.12Å; L466-I520 WeakPolarHBondContact CD2-O 3.27Å; L466-L522 HydrophobicContact CD1-CD1 3.93Å; L466-H525 HydrophobicContact CD1-CB 3.66Å
467V95.5Very high94.5Very high45 Ų4557.8 Ų57.827%0.27327%0.274SS..Hα-helixtrans-61.5-41.6176.31670000111Y463 L464 K470 K471Y463-V467 HydrophobicContact CD1-CG2 3.89Å; Y463-V467 HydrophobicContact CE1-CG2 3.48Å; Y463-V467 VanDerWaalsContact CE1-CG2 3.48Å; Y463-V467 HydrophobicContact CE2-CG2 4.17Å; Y463-V467 HydrophobicContact CG-CG2 4.4Å; Y463-V467 WeakPolarHBondContact O-CG2 3.49Å; Y463-V467 PolarHBondContact O-N 3.39Å; L464-V467 PolarHBondContact O-N 3.35Å; V467-K470 PolarHBondContact O-N 3.48Å; V467-K471 WeakPolarHBondContact O-CB 3.44Å; V467-K471 PolarHBondContact O-N 3.13Å
468I96.7Very high94.8Very high0 Ų057.8 Ų57.80%027%0.274CS..Hα-helixtrans-64.2-42.8176.4-71.6165.1000110.7M388 Q392 I398 L464 V465 L466 K470 K471 H472 V478M388-I468 HydrophobicContact CB-CD1 3.89Å; M388-I468 HydrophobicContact CE-CD1 3.37Å; Q392-I468 HydrophobicContact CG-CG1 4.26Å; I398-I468 HydrophobicContact CD1-CD1 3.87Å; I398-I468 HydrophobicContact CD1-CG1 4.46Å; I398-I468 HydrophobicContact CD1-CG2 4.09Å; I398-I468 HydrophobicContact CG1-CG2 4.22Å; I398-I468 HydrophobicContact CG2-CG2 3.58Å; L464-I468 HydrophobicContact CD1-CD1 3.82Å; L464-I468 HydrophobicContact CD1-CG1 4.25Å; L464-I468 HydrophobicContact CG-CD1 3.91Å; L464-I468 WeakPolarHBondContact O-CG1 3.5Å; L464-I468 PolarHBondContact O-N 2.99Å; V465-I468 PolarHBondContact O-N 2.85Å; L466-I468 VanDerWaalsContact C-N 3.31Å; L466-I468 PolarHBondContact O-N 3.23Å; I468-K470 PolarHBondContact O-N 2.66Å; I468-K471 PolarHBondContact O-N 3.14Å; I468-H472 PolarHBondContact O-CD2 3.24Å; I468-H472 PolarHBondContact O-N 2.92Å; I468-V478 HydrophobicContact CG2-CG1 4.2Å
469M97.9Very high95.1Very high0 Ų052.5 Ų52.50%025%0.251CS..Hα-helixtrans-61.2-42.7174.4-70.6171.46900111.9V465 L466 H472 L473 V478 Q479 L483 F486V465-M469 HydrophobicContact CG1-SD 4.11Å; V465-M469 WeakPolarHBondContact O-CG 3.48Å; V465-M469 PolarHBondContact O-N 2.85Å; L466-M469 WeakPolarHBondContact O-CB 3.03Å; L466-M469 PolarHBondContact O-N 3.15Å; M469-H472 CarbonylContact O-C 3.56Å; M469-H472 VanDerWaalsContact O-C 3.28Å; M469-H472 PolarHBondContact O-N 2.99Å; M469-L473 WeakPolarHBondContact O-CA 3.35Å; M469-L473 PolarHBondContact O-N 2.84Å; M469-L473 VanDerWaalsContact O-N 3.14Å; M469-V478 HydrophobicContact CG-CG1 4.48Å; M469-Q479 PolarHBondContact O-NE2 3.01Å; M469-L483 HydrophobicContact CE-CD1 4.48Å; M469-L483 HydrophobicContact CE-CD2 3.84Å; M469-L483 HydrophobicContact CE-CG 3.67Å; M469-F486 HydrophobicContact SD-CD2 4.19Å; M469-F486 HydrophobicContact SD-CE2 3.68Å
470K95.4Very high95.3Very high81 Ų8153.9 Ų53.935%0.35225%0.252SS..Hα-helixtrans-63.3-44.1175.7-73.5176.7177.3-176.20112.1L466 V467 I468 H472 L473 H525L466-K470 HydrophobicContact CG-CD 4.49Å; L466-K470 WeakPolarHBondContact O-CG 3.49Å; L466-K470 PolarHBondContact O-N 2.73Å; V467-K470 PolarHBondContact O-N 3.48Å; I468-K470 PolarHBondContact O-N 2.66Å; K470-H472 PolarHBondContact O-N 3.36Å; K470-L473 PolarHBondContact O-N 2.95Å; K470-H525 VanDerWaalsContact CG-ND1 3.31Å; K470-H525 WeakPolarHBondContact CG-ND1 3.13Å
471K91.7Very high95.6Very high102 Ų10248.9 Ų48.944%0.44323%0.225SC..Hα-helixtrans-60.4-36.7177.7-171.8178.1-171.2175.10112Q392 V467 I468Q392-K471 HydrophobicContact CB-CD 4.35Å; V467-K471 WeakPolarHBondContact O-CB 3.44Å; V467-K471 PolarHBondContact O-N 3.13Å; I468-K471 PolarHBondContact O-N 3.14Å
472H93.4Very high95.7Very high17 Ų1747.4 Ų47.48%0.07922%0.217CC..THydrogen-bonded Turntrans-109.941.5-178-63.6-63000112.1Q392 I468 M469 K470 Q474 Y475 V478 Q479Q392-H472 PolarHBondContact O-NE2 3.38Å; I468-H472 PolarHBondContact O-CD2 3.24Å; I468-H472 PolarHBondContact O-N 2.92Å; M469-H472 CarbonylContact O-C 3.56Å; M469-H472 VanDerWaalsContact O-C 3.28Å; M469-H472 PolarHBondContact O-N 2.99Å; K470-H472 PolarHBondContact O-N 3.36Å; H472-Q474 PolarHBondContact O-N 2.77Å; H472-Q474 VanDerWaalsContact O-N 3.11Å; H472-Y475 HydrophobicContact CB-CD2 3.7Å; H472-Y475 HydrophobicContact CB-CG 4.34Å; H472-Y475 AromaticContact ND1-CD2 3.81Å; H472-Y475 AromaticContact ND1-CE2 3.8Å; H472-Y475 PolarHBondContact O-N 2.78Å; H472-V478 HydrophobicContact CB-CB 4.22Å; H472-V478 HydrophobicContact CB-CG1 4.03Å; H472-V478 HydrophobicContact CB-CG2 4.19Å; H472-Q479 PolarHBondContact O-NE2 3.46Å
473L91.9Very high95.7Very high55 Ų5547.4 Ų47.429%0.28822%0.217SC..THydrogen-bonded Turntrans-53.9-35.8-174.5-174.864.3000113.1M469 K470 Y475 L529 M538M469-L473 WeakPolarHBondContact O-CA 3.35Å; M469-L473 PolarHBondContact O-N 2.84Å; M469-L473 VanDerWaalsContact O-N 3.14Å; K470-L473 PolarHBondContact O-N 2.95Å; L473-Y475 VanDerWaalsContact C-N 3.34Å; L473-Y475 PolarHBondContact O-N 3.07Å; L473-L529 HydrophobicContact CD1-CD2 3.63Å; L473-M538 WeakPolarHBondContact O-CE 3.29Å
474Q90.8Very high95.6Very high167 Ų16744.3 Ų44.378%0.7821%0.207SC*.THydrogen-bonded Turntrans-79.8-10.8-178.3-63.2-176.6-6.700114.2H472 V476 M538H472-Q474 PolarHBondContact O-N 2.77Å; H472-Q474 VanDerWaalsContact O-N 3.11Å; Q474-V476 PolarHBondContact O-N 2.87Å; Q474-M538 VanDerWaalsContact O-CE 3.24Å; Q474-M538 WeakPolarHBondContact O-CE 3.24Å
475Y94.8Very high95.6Very high116 Ų11643.4 Ų43.446%0.45520%0.202SC..  trans-93.6100.7-174.5-66.5-88.4000111.8L395 H472 L473 N477 V478 Q479 M538L395-Y475 HydrophobicContact CD1-CD1 3.61Å; L395-Y475 HydrophobicContact CD1-CE1 3.34Å; L395-Y475 HydrophobicContact CD1-CG 4.36Å; L395-Y475 HydrophobicContact CD2-CD1 4.34Å; L395-Y475 HydrophobicContact CD2-CG 4.3Å; H472-Y475 HydrophobicContact CB-CD2 3.7Å; H472-Y475 HydrophobicContact CB-CG 4.34Å; H472-Y475 AromaticContact ND1-CD2 3.81Å; H472-Y475 AromaticContact ND1-CE2 3.8Å; H472-Y475 PolarHBondContact O-N 2.78Å; L473-Y475 VanDerWaalsContact C-N 3.34Å; L473-Y475 PolarHBondContact O-N 3.07Å; Y475-N477 VanDerWaalsContact C-N 3.27Å; Y475-N477 PolarHBondContact O-N 2.74Å; Y475-V478 PolarHBondContact O-N 3.04Å; Y475-Q479 PolarHBondContact O-N 2.88Å; Y475-Q479 VanDerWaalsContact O-N 3.16Å; Y475-M538 VanDerWaalsContact C-CE 3.49Å
476V95.1Very high95.5Very high37 Ų3743.4 Ų43.422%0.22420%0.202CC..Hα-helixtrans-50.6-44.7-176.1177.40000112.3Q474 V478 Q479 R480 E537 M538 I541Q474-V476 PolarHBondContact O-N 2.87Å; V476-V478 PolarHBondContact O-N 3.27Å; V476-Q479 PolarHBondContact O-N 3.25Å; V476-R480 WeakPolarHBondContact O-CB 3.47Å; V476-R480 PolarHBondContact O-N 2.68Å; V476-E537 HydrophobicContact CG1-CB 4.41Å; V476-E537 HydrophobicContact CG2-CB 4.3Å; V476-M538 VanDerWaalsContact CA-CE 3.49Å; V476-M538 HydrophobicContact CB-CE 4.22Å; V476-M538 HydrophobicContact CG2-CE 3.72Å; V476-M538 HydrophobicContact CG2-SD 4.33Å; V476-M538 VanDerWaalsContact N-CE 3.27Å; V476-I541 HydrophobicContact CG1-CD1 3.61Å
477N96Very high95.2Very high107 Ų10746.4 Ų46.457%0.57222%0.215SC*.Hα-helixtrans-65.7-36.8-178.3-70.7-9.4000112.8T399 Y475 L481T399-N477 HydrophobicContact CG2-CB 4.45Å; Y475-N477 VanDerWaalsContact C-N 3.27Å; Y475-N477 PolarHBondContact O-N 2.74Å; N477-L481 WeakPolarHBondContact O-CB 3.49Å; N477-L481 VanDerWaalsContact O-CG 3.26Å; N477-L481 WeakPolarHBondContact O-CG 3.5Å; N477-L481 PolarHBondContact O-N 2.94Å
478V97.3Very high94.9Very high1 Ų144.3 Ų44.31%0.00620%0.202CC..Hα-helixtrans-67.4-42.6176.9179.10000110.1L395 I398 T399 I468 M469 H472 Y475 V476 G482L395-V478 HydrophobicContact CD2-CG2 3.92Å; I398-V478 HydrophobicContact CG2-CG1 4.22Å; I398-V478 HydrophobicContact CG2-CG2 4.33Å; T399-V478 HydrophobicContact CG2-CG2 4.14Å; I468-V478 HydrophobicContact CG2-CG1 4.2Å; M469-V478 HydrophobicContact CG-CG1 4.48Å; H472-V478 HydrophobicContact CB-CB 4.22Å; H472-V478 HydrophobicContact CB-CG1 4.03Å; H472-V478 HydrophobicContact CB-CG2 4.19Å; Y475-V478 PolarHBondContact O-N 3.04Å; V476-V478 PolarHBondContact O-N 3.27Å; V478-G482 PolarHBondContact O-N 3.45Å
479Q97.5Very high94.6Very high0 Ų044.3 Ų44.30%020%0.202CC..Hα-helixtrans-63.2-46.2177.1-57.9-49-47.900111.6M469 H472 Y475 V476 L483 H525 L529 M538 I541M469-Q479 PolarHBondContact O-NE2 3.01Å; H472-Q479 PolarHBondContact O-NE2 3.46Å; Y475-Q479 PolarHBondContact O-N 2.88Å; Y475-Q479 VanDerWaalsContact O-N 3.16Å; V476-Q479 PolarHBondContact O-N 3.25Å; Q479-L483 WeakPolarHBondContact O-CB 3.31Å; Q479-L483 VanDerWaalsContact O-CG 3.31Å; Q479-L483 WeakPolarHBondContact O-CG 3.44Å; Q479-L483 PolarHBondContact O-N 2.83Å; Q479-H525 PolarHBondContact OE1-NE2 2.94Å; Q479-L529 HydrophobicContact CG-CD2 4.1Å; Q479-M538 HydrophobicContact CB-SD 4.11Å; Q479-M538 HydrophobicContact CG-CE 3.8Å; Q479-M538 HydrophobicContact CG-SD 3.6Å; Q479-M538 VanDerWaalsContact CG-SD 3.6Å; Q479-I541 HydrophobicContact CB-CG2 4.32Å
480R97Very high94Very high102 Ų10244.6 Ų44.639%0.38520%0.204SC..Hα-helixtrans-58.4-54178.2-175.2179.3-62.3-104.2-1.5111.4V476 G482 L483 E484 I541V476-R480 WeakPolarHBondContact O-CB 3.47Å; V476-R480 PolarHBondContact O-N 2.68Å; R480-G482 PolarHBondContact O-N 3.07Å; R480-L483 PolarHBondContact O-N 2.78Å; R480-E484 WeakPolarHBondContact CG-OE1 3.49Å; R480-E484 WeakPolarHBondContact O-CB 3.47Å; R480-E484 VanDerWaalsContact O-CG 3.31Å; R480-E484 WeakPolarHBondContact O-CG 3.42Å; R480-E484 PolarHBondContact O-N 3.32Å; R480-I541 HydrophobicContact CB-CD1 4.23Å
481L97Very high92.9Very high18 Ų1842.9 Ų42.99%0.09420%0.199CC..Hα-helixtrans-67.2-37-177.7-69.8171000112.9T399 L402 R403 N477 E484 F485T399-L481 HydrophobicContact CG2-CD1 3.87Å; T399-L481 WeakPolarHBondContact O-CD1 3.24Å; L402-L481 HydrophobicContact CB-CB 3.86Å; L402-L481 HydrophobicContact CD1-CB 4.03Å; R403-L481 HydrophobicContact CG-CD1 3.91Å; R403-L481 HydrophobicContact CG-CD2 3.35Å; R403-L481 HydrophobicContact CG-CG 4.28Å; N477-L481 WeakPolarHBondContact O-CB 3.49Å; N477-L481 VanDerWaalsContact O-CG 3.26Å; N477-L481 WeakPolarHBondContact O-CG 3.5Å; N477-L481 PolarHBondContact O-N 2.94Å; L481-E484 PolarHBondContact O-N 3.47Å; L481-F485 WeakPolarHBondContact O-CB 3.46Å; L481-F485 PolarHBondContact O-N 2.75Å
482G97.4Very high91.3Very high0 Ų039.9 Ų39.90%019%0.187CC..Hα-helixtrans-64.6-40.4175.100000112.3V478 R480 F485 F486V478-G482 PolarHBondContact O-N 3.45Å; R480-G482 PolarHBondContact O-N 3.07Å; G482-F485 WeakPolarHBondContact O-CB 3.24Å; G482-F485 PolarHBondContact O-N 2.93Å; G482-F486 WeakPolarHBondContact O-CD2 3.28Å; G482-F486 PolarHBondContact O-N 3Å
483L96.8Very high89.2Confident0 Ų044.8 Ų44.80%021%0.214CC..Hα-helixtrans-74.7-33.1175.7-69.5174000113.1M469 Q479 R480 F485 F486 K487 L522 L526 L529 I541 Y545M469-L483 HydrophobicContact CE-CD1 4.48Å; M469-L483 HydrophobicContact CE-CD2 3.84Å; M469-L483 HydrophobicContact CE-CG 3.67Å; Q479-L483 WeakPolarHBondContact O-CB 3.31Å; Q479-L483 VanDerWaalsContact O-CG 3.31Å; Q479-L483 WeakPolarHBondContact O-CG 3.44Å; Q479-L483 PolarHBondContact O-N 2.83Å; R480-L483 PolarHBondContact O-N 2.78Å; L483-F485 VanDerWaalsContact C-N 3.32Å; L483-F486 HydrophobicContact CD2-CD2 4.45Å; L483-F486 PolarHBondContact O-N 2.88Å; L483-K487 VanDerWaalsContact O-CB 3.22Å; L483-K487 WeakPolarHBondContact O-CB 3.32Å; L483-K487 PolarHBondContact O-N 2.93Å; L483-L522 HydrophobicContact CD2-CD1 4.36Å; L483-L526 HydrophobicContact CD1-CD2 3.9Å; L483-L526 HydrophobicContact CD2-CD2 3.63Å; L483-L526 HydrophobicContact CD2-CG 4.35Å; L483-L526 HydrophobicContact CG-CD2 4.44Å; L483-L529 HydrophobicContact CD1-CD1 4.12Å; L483-I541 HydrophobicContact CD1-CG2 3.33Å; L483-Y545 HydrophobicContact CB-CD1 3.73Å; L483-Y545 HydrophobicContact CB-CD2 3.95Å; L483-Y545 HydrophobicContact CB-CE1 3.71Å; L483-Y545 HydrophobicContact CB-CE2 3.94Å; L483-Y545 HydrophobicContact CB-CG 3.84Å; L483-Y545 HydrophobicContact CD1-CD2 3.81Å; L483-Y545 HydrophobicContact CD1-CE2 4.38Å; L483-Y545 HydrophobicContact CD1-CG 3.94Å; L483-Y545 HydrophobicContact CG-CD2 4.47Å; L483-Y545 HydrophobicContact CG-CG 4.31Å; L483-Y545 VanDerWaalsContact O-CE1 3.26Å; L483-Y545 WeakPolarHBondContact O-CE1 3.44Å
484E94.1Very high87.1Confident64 Ų6446 Ų4630%0.29922%0.215SC..Hα-helixtrans-59.9-44.2169-77.1173-171.300110.9R480 L481 K487 S488 Y545R480-E484 WeakPolarHBondContact CG-OE1 3.49Å; R480-E484 WeakPolarHBondContact O-CB 3.47Å; R480-E484 VanDerWaalsContact O-CG 3.31Å; R480-E484 WeakPolarHBondContact O-CG 3.42Å; R480-E484 PolarHBondContact O-N 3.32Å; L481-E484 PolarHBondContact O-N 3.47Å; E484-K487 PolarHBondContact O-N 3.05Å; E484-S488 PolarHBondContact O-N 3.41Å; E484-Y545 WeakPolarHBondContact CG-OH 3.41Å
485F95.4Very high84.6Confident0 Ų042.6 Ų42.60%021%0.21CC..Hα-helixtrans-58.2-49.9171.7168.5-93000111.9F385 L402 L405 A406 I409 I456 L462 V465 L481 G482 L483 K487 S488 L489F385-F485 HydrophobicContact CE1-CZ 4.41Å; F385-F485 HydrophobicContact CZ-CE2 4.25Å; F385-F485 HydrophobicContact CZ-CZ 4.19Å; L402-F485 HydrophobicContact CD2-CB 4.49Å; L405-F485 HydrophobicContact CB-CD2 3.9Å; L405-F485 HydrophobicContact CB-CE2 4.09Å; A406-F485 HydrophobicContact CB-CB 4.38Å; I409-F485 HydrophobicContact CD1-CD2 3.59Å; I409-F485 HydrophobicContact CD1-CE2 3.45Å; I409-F485 VanDerWaalsContact CD1-CE2 3.45Å; I409-F485 HydrophobicContact CD1-CZ 4.35Å; I456-F485 HydrophobicContact CG2-CE2 4Å; I456-F485 HydrophobicContact CG2-CZ 4.1Å; L462-F485 HydrophobicContact CD2-CE1 3.8Å; L462-F485 HydrophobicContact CD2-CZ 4.02Å; V465-F485 HydrophobicContact CB-CD1 4.35Å; V465-F485 HydrophobicContact CB-CE1 4.29Å; V465-F485 HydrophobicContact CG1-CD1 3.94Å; V465-F485 HydrophobicContact CG1-CE1 4.38Å; V465-F485 HydrophobicContact CG2-CD1 4.07Å; V465-F485 HydrophobicContact CG2-CE1 3.83Å; V465-F485 HydrophobicContact CG2-CZ 4.26Å; L481-F485 WeakPolarHBondContact O-CB 3.46Å; L481-F485 PolarHBondContact O-N 2.75Å; G482-F485 WeakPolarHBondContact O-CB 3.24Å; G482-F485 PolarHBondContact O-N 2.93Å; L483-F485 VanDerWaalsContact C-N 3.32Å; F485-K487 VanDerWaalsContact C-N 3.31Å; F485-K487 PolarHBondContact O-N 3.16Å; F485-S488 PolarHBondContact O-N 3Å; F485-S488 PolarHBondContact O-OG 2.83Å; F485-L489 HydrophobicContact CE1-CD1 4.05Å; F485-L489 HydrophobicContact CZ-CD1 4.35Å; F485-L489 HydrophobicContact CZ-CD2 4.48Å; F485-L489 WeakPolarHBondContact O-CG 3.47Å; F485-L489 PolarHBondContact O-N 3.3Å
486F95.5Very high82.3Confident0 Ų044.2 Ų44.20%023%0.232CC..Hα-helixtrans-65-35.4179-73.3-58.5000113.1L462 V465 L466 M469 G482 L483 L489 L517 I520 L522 F549L462-F486 HydrophobicContact CB-CE1 4.16Å; L462-F486 HydrophobicContact CD2-CE1 4.17Å; L462-F486 WeakPolarHBondContact O-CZ 3.25Å; V465-F486 HydrophobicContact CB-CE2 4.46Å; V465-F486 HydrophobicContact CB-CZ 4.04Å; V465-F486 HydrophobicContact CG1-CE2 3.82Å; V465-F486 HydrophobicContact CG1-CZ 3.89Å; L466-F486 HydrophobicContact CB-CZ 4.27Å; M469-F486 HydrophobicContact SD-CD2 4.19Å; M469-F486 HydrophobicContact SD-CE2 3.68Å; G482-F486 WeakPolarHBondContact O-CD2 3.28Å; G482-F486 PolarHBondContact O-N 3Å; L483-F486 HydrophobicContact CD2-CD2 4.45Å; L483-F486 PolarHBondContact O-N 2.88Å; F486-L489 HydrophobicContact CD1-CD1 4.07Å; F486-L489 WeakPolarHBondContact O-CB 3.47Å; F486-L489 PolarHBondContact O-N 2.87Å; F486-L517 HydrophobicContact CD1-CD2 3.54Å; F486-L517 HydrophobicContact CE1-CD2 3.91Å; F486-L517 HydrophobicContact CG-CD2 4.45Å; F486-I520 HydrophobicContact CE1-CD1 3.86Å; F486-I520 HydrophobicContact CZ-CD1 4.04Å; F486-L522 HydrophobicContact CB-CD2 4.08Å; F486-L522 HydrophobicContact CD1-CD2 4.23Å; F486-L522 HydrophobicContact CD2-CD1 3.8Å; F486-L522 HydrophobicContact CD2-CD2 4.02Å; F486-L522 HydrophobicContact CE2-CD1 3.77Å; F486-L522 HydrophobicContact CG-CD1 4.47Å; F486-L522 HydrophobicContact CG-CD2 3.86Å; F486-L522 HydrophobicContact CZ-CD1 4.41Å; F486-F549 HydrophobicContact CB-CE1 4.33Å; F486-F549 HydrophobicContact CB-CZ 3.86Å
487K91.5Very high80Confident63 Ų6346.5 Ų46.527%0.27425%0.25SC..Hα-helixtrans-66.6-41175.4175.8-164.8170.4-155.80111.3L483 E484 F485 L489 I490 N491 Y545L483-K487 VanDerWaalsContact O-CB 3.22Å; L483-K487 WeakPolarHBondContact O-CB 3.32Å; L483-K487 PolarHBondContact O-N 2.93Å; E484-K487 PolarHBondContact O-N 3.05Å; F485-K487 VanDerWaalsContact C-N 3.31Å; F485-K487 PolarHBondContact O-N 3.16Å; K487-L489 PolarHBondContact O-N 3.35Å; K487-I490 VanDerWaalsContact O-CG1 3.25Å; K487-I490 WeakPolarHBondContact O-CG1 3.35Å; K487-I490 PolarHBondContact O-N 3.16Å; K487-N491 PolarHBondContact O-N 3.36Å; K487-N491 VanDerWaalsContact O-N 3.15Å; K487-Y545 HydrophobicContact CB-CD1 4.2Å; K487-Y545 HydrophobicContact CB-CE1 3.69Å; K487-Y545 HydrophobicContact CD-CE1 3.79Å; K487-Y545 HydrophobicContact CG-CE1 4.23Å
488S89.6Confident77.9Confident0 Ų048 Ų480%026%0.256CS..Hα-helixtrans-62.5-29.5179.5690000111.8I409 Q413 E484 F485 I490 N491I409-S488 WeakPolarHBondContact CD1-OG 3.34Å; I409-S488 VanDerWaalsContact CG2-O 3.3Å; I409-S488 WeakPolarHBondContact CG2-O 3.37Å; Q413-S488 VanDerWaalsContact CD-O 3.24Å; Q413-S488 PolarHBondContact NE2-O 2.72Å; Q413-S488 PolarHBondContact OE1-O 3.39Å; E484-S488 PolarHBondContact O-N 3.41Å; F485-S488 PolarHBondContact O-N 3Å; F485-S488 PolarHBondContact O-OG 2.83Å; S488-I490 PolarHBondContact O-N 3.45Å; S488-N491 PolarHBondContact O-N 3.19Å
489L89.9Confident76.4Confident0 Ų051.7 Ų51.70%028%0.276CS..THydrogen-bonded Turntrans-61.6-27.4174.1-58.2173.6000113.7I409 Q413 F453 I456 L462 F485 F486 K487 Y510 I513I409-L489 HydrophobicContact CD1-CD2 3.53Å; I409-L489 HydrophobicContact CD1-CG 4.31Å; I409-L489 HydrophobicContact CG1-CD2 4.23Å; I409-L489 HydrophobicContact CG2-CD2 4.31Å; Q413-L489 PolarHBondContact NE2-O 2.97Å; F453-L489 HydrophobicContact CE2-CD2 4.44Å; I456-L489 HydrophobicContact CG2-CD2 4.19Å; L462-L489 HydrophobicContact CD2-CD1 3.44Å; L462-L489 VanDerWaalsContact CD2-CD1 3.44Å; F485-L489 HydrophobicContact CE1-CD1 4.05Å; F485-L489 HydrophobicContact CZ-CD1 4.35Å; F485-L489 HydrophobicContact CZ-CD2 4.48Å; F485-L489 WeakPolarHBondContact O-CG 3.47Å; F485-L489 PolarHBondContact O-N 3.3Å; F486-L489 HydrophobicContact CD1-CD1 4.07Å; F486-L489 WeakPolarHBondContact O-CB 3.47Å; F486-L489 PolarHBondContact O-N 2.87Å; K487-L489 PolarHBondContact O-N 3.35Å; L489-Y510 WeakPolarHBondContact O-CE1 3.43Å; L489-I513 HydrophobicContact CB-CG2 4.09Å; L489-I513 VanDerWaalsContact O-CD1 3.31Å; L489-I513 WeakPolarHBondContact O-CD1 3.38Å
490I85.2Confident74.8Confident7 Ų756.7 Ų56.74%0.03630%0.302CS..THydrogen-bonded Turntrans-1144.8-173.864.7164.9000113.3K487 S488 I492 Y506 I513 F514 L517 F549K487-I490 VanDerWaalsContact O-CG1 3.25Å; K487-I490 WeakPolarHBondContact O-CG1 3.35Å; K487-I490 PolarHBondContact O-N 3.16Å; S488-I490 PolarHBondContact O-N 3.45Å; I490-I492 PolarHBondContact O-N 2.98Å; I490-Y506 WeakPolarHBondContact CB-OH 2.95Å; I490-Y506 WeakPolarHBondContact O-CE2 3.32Å; I490-Y506 PolarHBondContact O-OH 3.47Å; I490-I513 HydrophobicContact CG2-CG2 4.05Å; I490-F514 HydrophobicContact CB-CZ 4.34Å; I490-F514 HydrophobicContact CD1-CE1 4.25Å; I490-F514 HydrophobicContact CD1-CZ 4.1Å; I490-F514 HydrophobicContact CG2-CE1 4.38Å; I490-F514 HydrophobicContact CG2-CE2 4.43Å; I490-F514 HydrophobicContact CG2-CZ 4.12Å; I490-L517 HydrophobicContact CG2-CD1 4.17Å; I490-F549 HydrophobicContact CD1-CD1 3.81Å; I490-F549 HydrophobicContact CD1-CE1 3.58Å; I490-F549 HydrophobicContact CD1-CZ 4.42Å; I490-F549 HydrophobicContact CG1-CE1 4.37Å
491N73.6Confident73.4Confident44 Ų4456.3 Ų56.324%0.23531%0.308CS..  trans-83.1117.8-171.6-164.220.5000112.7Q413 K487 S488Q413-N491 PolarHBondContact OE1-O 3.37Å; K487-N491 PolarHBondContact O-N 3.36Å; K487-N491 VanDerWaalsContact O-N 3.15Å; S488-N491 PolarHBondContact O-N 3.19Å
492I57.9Low72.1Confident39 Ų3956 Ų5620%0.231%0.307CS..  trans-121124.5152.7-63.9-173.9000106.3M417 I490 Y494 Y510M417-I492 HydrophobicContact CE-CB 4.05Å; M417-I492 HydrophobicContact CE-CG1 3.87Å; M417-I492 HydrophobicContact CE-CG2 3.71Å; I490-I492 PolarHBondContact O-N 2.98Å; I492-Y494 VanDerWaalsContact C-N 3.33Å; I492-Y494 HydrophobicContact CB-CD2 4.47Å; I492-Y494 HydrophobicContact CB-CE2 4.11Å; I492-Y494 HydrophobicContact CG2-CD2 4.4Å; I492-Y494 HydrophobicContact CG2-CE1 4.38Å; I492-Y494 HydrophobicContact CG2-CE2 4.24Å; I492-Y494 PolarHBondContact O-N 3.2Å; I492-Y510 HydrophobicContact CD1-CE2 3.57Å; I492-Y510 VanDerWaalsContact CD1-OH 3.3Å; I492-Y510 WeakPolarHBondContact CD1-OH 3Å; I492-Y510 HydrophobicContact CG1-CE2 3.74Å; I492-Y510 WeakPolarHBondContact CG1-OH 3.18Å
493N49.9Very low70.8Confident121 Ų12157.9 Ų57.965%0.64732%0.317SS*.  trans-65.793.8166.8-75.8-19.8000108.6
494Y46.3Very low69.7Low79 Ų7963.4 Ų63.431%0.3134%0.34SS..  trans-72.9128.3165.6-72.4-76000109.4I492 T496 V502 Y506I492-Y494 VanDerWaalsContact C-N 3.33Å; I492-Y494 HydrophobicContact CB-CD2 4.47Å; I492-Y494 HydrophobicContact CB-CE2 4.11Å; I492-Y494 HydrophobicContact CG2-CD2 4.4Å; I492-Y494 HydrophobicContact CG2-CE1 4.38Å; I492-Y494 HydrophobicContact CG2-CE2 4.24Å; I492-Y494 PolarHBondContact O-N 3.2Å; Y494-T496 PolarHBondContact O-N 2.71Å; Y494-T496 VanDerWaalsContact O-N 3.15Å; Y494-V502 HydrophobicContact CD1-CG1 3.6Å; Y494-V502 HydrophobicContact CD2-CG1 4.43Å; Y494-V502 HydrophobicContact CE1-CG1 3.63Å; Y494-V502 HydrophobicContact CE2-CG1 4.43Å; Y494-V502 HydrophobicContact CG-CG1 4.03Å; Y494-Y506 AromaticContact CE2-CD2 3.45Å; Y494-Y506 HydrophobicContact CE2-CD2 3.45Å; Y494-Y506 VanDerWaalsContact CE2-CD2 3.45Å; Y494-Y506 HydrophobicContact CE2-CE2 4.18Å; Y494-Y506 AromaticContact CE2-CG 3.97Å; Y494-Y506 HydrophobicContact CE2-CG 3.97Å; Y494-Y506 AromaticContact CZ-CD2 3.9Å; Y494-Y506 VanDerWaalsContact OH-CB 3.28Å; Y494-Y506 WeakPolarHBondContact OH-CB 3.36Å; Y494-Y506 WeakPolarHBondContact OH-CD2 3.26Å
495S39.5Very low68.8Low97 Ų9763.4 Ų63.468%0.67834%0.343SS*.  trans-71.9104.4169.160.70000109.9S497S495-S497 PolarHBondContact O-N 2.83Å
496T46.1Very low68Low149 Ų14964.5 Ų64.591%0.91435%0.347SS*.SBendtrans49.5-2.2147.552.30000121.9Y494Y494-T496 PolarHBondContact O-N 2.71Å; Y494-T496 VanDerWaalsContact O-N 3.15Å
497S46.1Very low67.4Low85 Ų8566.1 Ų66.159%0.59436%0.355SS*.  trans-127.995.4171.5560000110.9S495 N499S495-S497 PolarHBondContact O-N 2.83Å; S497-N499 PolarHBondContact O-N 3.32Å
498I53.1Low66.9Low138 Ų13869.5 Ų69.571%0.70837%0.372SS*.  trans-87.3101.4174.9-57.1173.8000107.2I503I498-I503 HydrophobicContact CG2-CD1 3.71Å; I498-I503 HydrophobicContact CG2-CG1 3.8Å
499N64.2Low66.4Low79 Ų7970.9 Ų70.942%0.42238%0.381SS..  trans-101.7170163.773.315.1000110.1S497 D501 V502 I503S497-N499 PolarHBondContact O-N 3.32Å; N499-D501 VanDerWaalsContact C-N 3.26Å; N499-D501 PolarHBondContact O-N 3.08Å; N499-D501 PolarHBondContact OD1-N 2.84Å; N499-V502 PolarHBondContact O-N 2.95Å; N499-V502 WeakPolarHBondContact OD1-CB 3.5Å; N499-V502 WeakPolarHBondContact OD1-CG2 3.2Å; N499-V502 PolarHBondContact OD1-N 3.34Å; N499-I503 PolarHBondContact O-N 3.27Å
500L65.6Low66.2Low106 Ų10671 Ų7156%0.55538%0.381SS*.Hα-helixtrans-63.1-30.9-178.5-78.1170.1000113.2I503 K504L500-I503 PolarHBondContact O-N 3.28Å; L500-K504 WeakPolarHBondContact O-CG 3.42Å; L500-K504 PolarHBondContact O-N 3.31Å; L500-K504 VanDerWaalsContact O-N 3.09Å
501D66.2Low66.3Low94 Ų9473.3 Ų73.350%0.50339%0.393SS..Hα-helixtrans-71.6-41.6-179.3-61.2-38.6000111.1N499 I503 K504 D505N499-D501 VanDerWaalsContact C-N 3.26Å; N499-D501 PolarHBondContact O-N 3.08Å; N499-D501 PolarHBondContact OD1-N 2.84Å; D501-I503 VanDerWaalsContact C-N 3.27Å; D501-I503 PolarHBondContact O-N 2.97Å; D501-K504 WeakPolarHBondContact O-CB 3.31Å; D501-K504 PolarHBondContact O-N 3.31Å; D501-D505 PolarHBondContact O-N 2.62Å
502V69.4Low67.1Low12 Ų1274.5 Ų74.57%0.07340%0.402CS..Hα-helixtrans-56.5-41.2172.4169.20000111.2Y494 N499 Y506Y494-V502 HydrophobicContact CD1-CG1 3.6Å; Y494-V502 HydrophobicContact CD2-CG1 4.43Å; Y494-V502 HydrophobicContact CE1-CG1 3.63Å; Y494-V502 HydrophobicContact CE2-CG1 4.43Å; Y494-V502 HydrophobicContact CG-CG1 4.03Å; N499-V502 PolarHBondContact O-N 2.95Å; N499-V502 WeakPolarHBondContact OD1-CB 3.5Å; N499-V502 WeakPolarHBondContact OD1-CG2 3.2Å; N499-V502 PolarHBondContact OD1-N 3.34Å; V502-Y506 VanDerWaalsContact O-CB 3.22Å; V502-Y506 WeakPolarHBondContact O-CB 3.49Å; V502-Y506 PolarHBondContact O-N 2.82Å
503I71.2Confident68.7Low39 Ų3972.7 Ų72.720%0.239%0.393CS..Hα-helixtrans-67.2-40.4176.7-62.8173.1000111.2I498 N499 L500 D501 L507I498-I503 HydrophobicContact CG2-CD1 3.71Å; I498-I503 HydrophobicContact CG2-CG1 3.8Å; N499-I503 PolarHBondContact O-N 3.27Å; L500-I503 PolarHBondContact O-N 3.28Å; D501-I503 VanDerWaalsContact C-N 3.27Å; D501-I503 PolarHBondContact O-N 2.97Å; I503-L507 HydrophobicContact CG2-CD1 4.05Å; I503-L507 HydrophobicContact CG2-CG 4.38Å; I503-L507 WeakPolarHBondContact O-CB 2.89Å; I503-L507 WeakPolarHBondContact O-CG 2.97Å; I503-L507 PolarHBondContact O-N 3.29Å
504K74.3Confident70.8Confident115 Ų11566.9 Ų66.950%0.536%0.362SS..Hα-helixtrans-64.3-47.1178.3-74.9174.3-176.51680111L500 D501 Y506 L507 Q508L500-K504 WeakPolarHBondContact O-CG 3.42Å; L500-K504 PolarHBondContact O-N 3.31Å; L500-K504 VanDerWaalsContact O-N 3.09Å; D501-K504 WeakPolarHBondContact O-CB 3.31Å; D501-K504 PolarHBondContact O-N 3.31Å; K504-Y506 VanDerWaalsContact C-N 3.31Å; K504-Y506 PolarHBondContact O-N 3.27Å; K504-L507 PolarHBondContact O-N 2.83Å; K504-Q508 WeakPolarHBondContact O-CG 3.39Å; K504-Q508 PolarHBondContact O-N 3.03Å
505D74.6Confident73.1Confident65 Ų6568.4 Ų68.435%0.34837%0.37SS..Hα-helixtrans-63.6-39.8179.3-69.9-10.2000111.5D501 Q508 T509D501-D505 PolarHBondContact O-N 2.62Å; D505-Q508 PolarHBondContact O-N 3.3Å; D505-T509 WeakPolarHBondContact O-CB 3.45Å; D505-T509 PolarHBondContact O-N 3.33Å; D505-T509 PolarHBondContact O-OG1 3.35Å
506Y78.7Confident75.8Confident23 Ų2366.4 Ų66.49%0.0935%0.35CS..Hα-helixtrans-58-53.4172174.6-102000112I490 Y494 V502 K504 Q508 T509 Y510 F514 I551I490-Y506 WeakPolarHBondContact CB-OH 2.95Å; I490-Y506 WeakPolarHBondContact O-CE2 3.32Å; I490-Y506 PolarHBondContact O-OH 3.47Å; Y494-Y506 AromaticContact CE2-CD2 3.45Å; Y494-Y506 HydrophobicContact CE2-CD2 3.45Å; Y494-Y506 VanDerWaalsContact CE2-CD2 3.45Å; Y494-Y506 HydrophobicContact CE2-CE2 4.18Å; Y494-Y506 AromaticContact CE2-CG 3.97Å; Y494-Y506 HydrophobicContact CE2-CG 3.97Å; Y494-Y506 AromaticContact CZ-CD2 3.9Å; Y494-Y506 VanDerWaalsContact OH-CB 3.28Å; Y494-Y506 WeakPolarHBondContact OH-CB 3.36Å; Y494-Y506 WeakPolarHBondContact OH-CD2 3.26Å; V502-Y506 VanDerWaalsContact O-CB 3.22Å; V502-Y506 WeakPolarHBondContact O-CB 3.49Å; V502-Y506 PolarHBondContact O-N 2.82Å; K504-Y506 VanDerWaalsContact C-N 3.31Å; K504-Y506 PolarHBondContact O-N 3.27Å; Y506-Q508 VanDerWaalsContact C-N 3.28Å; Y506-Q508 PolarHBondContact O-N 3Å; Y506-T509 WeakPolarHBondContact O-CB 3.33Å; Y506-T509 PolarHBondContact O-N 3.2Å; Y506-T509 VanDerWaalsContact O-N 3.15Å; Y506-Y510 AromaticContact CD2-CD2 3.57Å; Y506-Y510 HydrophobicContact CD2-CD2 3.57Å; Y506-Y510 AromaticContact CD2-CE2 3.82Å; Y506-Y510 HydrophobicContact CD2-CE2 3.82Å; Y506-Y510 AromaticContact CE2-CD2 3.4Å; Y506-Y510 HydrophobicContact CE2-CD2 3.4Å; Y506-Y510 VanDerWaalsContact CE2-CD2 3.4Å; Y506-Y510 AromaticContact CE2-CE2 3.62Å; Y506-Y510 HydrophobicContact CE2-CE2 3.62Å; Y506-Y510 HydrophobicContact CE2-CG 4.29Å; Y506-Y510 HydrophobicContact CG-CD2 4.35Å; Y506-Y510 WeakPolarHBondContact O-CD2 3.35Å; Y506-Y510 PolarHBondContact O-N 3.46Å; Y506-F514 AromaticContact CE1-CE2 3.7Å; Y506-F514 HydrophobicContact CE1-CE2 3.7Å; Y506-F514 AromaticContact CE1-CZ 3.88Å; Y506-F514 HydrophobicContact CE1-CZ 3.88Å; Y506-I551 HydrophobicContact CD1-CD1 4.22Å; Y506-I551 HydrophobicContact CE1-CD1 3.44Å; Y506-I551 VanDerWaalsContact CE1-CD1 3.44Å; Y506-I551 HydrophobicContact CE1-CG1 4.48Å
507L81.9Confident78.1Confident34 Ų3459.3 Ų59.318%0.17831%0.306CS..Hα-helixtrans-64.4-34.9-178.6-73176.4000111.9I503 K504 N511 F514 I551 Y552I503-L507 HydrophobicContact CG2-CD1 4.05Å; I503-L507 HydrophobicContact CG2-CG 4.38Å; I503-L507 WeakPolarHBondContact O-CB 2.89Å; I503-L507 WeakPolarHBondContact O-CG 2.97Å; I503-L507 PolarHBondContact O-N 3.29Å; K504-L507 PolarHBondContact O-N 2.83Å; L507-N511 VanDerWaalsContact O-CA 3.31Å; L507-N511 WeakPolarHBondContact O-CA 3.16Å; L507-N511 VanDerWaalsContact O-CB 3.27Å; L507-N511 WeakPolarHBondContact O-CB 3.33Å; L507-N511 PolarHBondContact O-N 2.84Å; L507-F514 HydrophobicContact CD2-CD2 4.2Å; L507-F514 HydrophobicContact CD2-CE2 3.93Å; L507-F514 HydrophobicContact CD2-CZ 4.48Å; L507-I551 HydrophobicContact CD2-CG1 4.27Å; L507-Y552 HydrophobicContact CD2-CD2 4.29Å
508Q81.5Confident80.5Confident134 Ų13458.6 Ų58.663%0.62629%0.293SS*.Hα-helixtrans-63.6-44.6173.3-74.8-179.311.300111.5K504 D505 Y506 Y510K504-Q508 WeakPolarHBondContact O-CG 3.39Å; K504-Q508 PolarHBondContact O-N 3.03Å; D505-Q508 PolarHBondContact O-N 3.3Å; Y506-Q508 VanDerWaalsContact C-N 3.28Å; Y506-Q508 PolarHBondContact O-N 3Å; Q508-Y510 PolarHBondContact O-N 3.26Å
509T79.9Confident82.5Confident29 Ų2956.5 Ų56.518%0.17829%0.287CS..Hα-helixtrans-62-41.5179.3-58.10000111.9F447 D505 Y506F447-T509 HydrophobicContact CB-CG2 3.72Å; D505-T509 WeakPolarHBondContact O-CB 3.45Å; D505-T509 PolarHBondContact O-N 3.33Å; D505-T509 PolarHBondContact O-OG1 3.35Å; Y506-T509 WeakPolarHBondContact O-CB 3.33Å; Y506-T509 PolarHBondContact O-N 3.2Å; Y506-T509 VanDerWaalsContact O-N 3.15Å
510Y85Confident84.1Confident2 Ų253.2 Ų53.21%0.00827%0.269CS..Hα-helixtrans-102.26.7-174.2-71.7-78.3000114.9L489 I492 Y506 Q508 T512 I513 F514L489-Y510 WeakPolarHBondContact O-CE1 3.43Å; I492-Y510 HydrophobicContact CD1-CE2 3.57Å; I492-Y510 VanDerWaalsContact CD1-OH 3.3Å; I492-Y510 WeakPolarHBondContact CD1-OH 3Å; I492-Y510 HydrophobicContact CG1-CE2 3.74Å; I492-Y510 WeakPolarHBondContact CG1-OH 3.18Å; Y506-Y510 AromaticContact CD2-CD2 3.57Å; Y506-Y510 HydrophobicContact CD2-CD2 3.57Å; Y506-Y510 AromaticContact CD2-CE2 3.82Å; Y506-Y510 HydrophobicContact CD2-CE2 3.82Å; Y506-Y510 AromaticContact CE2-CD2 3.4Å; Y506-Y510 HydrophobicContact CE2-CD2 3.4Å; Y506-Y510 VanDerWaalsContact CE2-CD2 3.4Å; Y506-Y510 AromaticContact CE2-CE2 3.62Å; Y506-Y510 HydrophobicContact CE2-CE2 3.62Å; Y506-Y510 HydrophobicContact CE2-CG 4.29Å; Y506-Y510 HydrophobicContact CG-CD2 4.35Å; Y506-Y510 WeakPolarHBondContact O-CD2 3.35Å; Y506-Y510 PolarHBondContact O-N 3.46Å; Q508-Y510 PolarHBondContact O-N 3.26Å; Y510-T512 PolarHBondContact O-N 2.91Å; Y510-T512 VanDerWaalsContact O-N 3.14Å; Y510-I513 HydrophobicContact CD1-CD1 3.71Å; Y510-I513 HydrophobicContact CD1-CG1 4.44Å; Y510-I513 HydrophobicContact CE1-CD1 4.15Å; Y510-I513 PolarHBondContact O-N 3.08Å; Y510-F514 WeakPolarHBondContact O-CD2 3.46Å; Y510-F514 PolarHBondContact O-N 3Å
511N87.9Confident85.5Confident55 Ų5550.6 Ų50.629%0.29426%0.256SS..Hα-helixtrans-54-40.1-174.4-171.527.2000112.5L507 I513 F514 K515 Y552L507-N511 VanDerWaalsContact O-CA 3.31Å; L507-N511 WeakPolarHBondContact O-CA 3.16Å; L507-N511 VanDerWaalsContact O-CB 3.27Å; L507-N511 WeakPolarHBondContact O-CB 3.33Å; L507-N511 PolarHBondContact O-N 2.84Å; N511-I513 VanDerWaalsContact C-N 3.33Å; N511-I513 PolarHBondContact O-N 3.45Å; N511-F514 PolarHBondContact O-N 3.35Å; N511-K515 WeakPolarHBondContact O-CB 3.03Å; N511-K515 VanDerWaalsContact O-CG 3.27Å; N511-K515 WeakPolarHBondContact O-CG 3.36Å; N511-K515 PolarHBondContact O-N 2.92Å; N511-K515 WeakPolarHBondContact OD1-CE 3.12Å; N511-Y552 WeakPolarHBondContact OD1-CE2 3.43Å; N511-Y552 PolarHBondContact OD1-OH 2.97Å
512T90.2Very high86.9Confident69 Ų6946.2 Ų46.242%0.42323%0.232SC..Hα-helixtrans-61.2-40.7178.551.90000112.1E449 Y510 K516E449-T512 PolarHBondContact OE1-OG1 3.47Å; Y510-T512 PolarHBondContact O-N 2.91Å; Y510-T512 VanDerWaalsContact O-N 3.14Å; T512-K516 WeakPolarHBondContact O-CG 3.36Å; T512-K516 PolarHBondContact O-N 3.24Å
513I91Very high88.2Confident1 Ų145.7 Ų45.71%0.00523%0.229CC..Hα-helixtrans-73.2-48.3179.3-51.7-172000109.8F453 L489 I490 Y510 N511 K515 K516 L517F453-I513 HydrophobicContact CE1-CD1 3.42Å; F453-I513 VanDerWaalsContact CE1-CD1 3.42Å; F453-I513 HydrophobicContact CE1-CG1 4.43Å; F453-I513 HydrophobicContact CZ-CD1 3.4Å; L489-I513 HydrophobicContact CB-CG2 4.09Å; L489-I513 VanDerWaalsContact O-CD1 3.31Å; L489-I513 WeakPolarHBondContact O-CD1 3.38Å; I490-I513 HydrophobicContact CG2-CG2 4.05Å; Y510-I513 HydrophobicContact CD1-CD1 3.71Å; Y510-I513 HydrophobicContact CD1-CG1 4.44Å; Y510-I513 HydrophobicContact CE1-CD1 4.15Å; Y510-I513 PolarHBondContact O-N 3.08Å; N511-I513 VanDerWaalsContact C-N 3.33Å; N511-I513 PolarHBondContact O-N 3.45Å; I513-K515 VanDerWaalsContact C-N 3.28Å; I513-K515 PolarHBondContact O-N 2.64Å; I513-K516 WeakPolarHBondContact O-CA 3.22Å; I513-K516 WeakPolarHBondContact O-CB 3.25Å; I513-K516 PolarHBondContact O-N 2.98Å; I513-L517 HydrophobicContact CG2-CD1 4.23Å; I513-L517 HydrophobicContact CG2-CG 4.26Å; I513-L517 WeakPolarHBondContact O-CG 3.5Å; I513-L517 PolarHBondContact O-N 2.59Å
514F93.6Very high89.3Confident0 Ų046.5 Ų46.50%023%0.232CC..Hα-helixtrans-56.9-41.5177.2-82.4-64.9000112.5I490 Y506 L507 Y510 N511 K516 L517 H518 F549 I551 Y552 I555I490-F514 HydrophobicContact CB-CZ 4.34Å; I490-F514 HydrophobicContact CD1-CE1 4.25Å; I490-F514 HydrophobicContact CD1-CZ 4.1Å; I490-F514 HydrophobicContact CG2-CE1 4.38Å; I490-F514 HydrophobicContact CG2-CE2 4.43Å; I490-F514 HydrophobicContact CG2-CZ 4.12Å; Y506-F514 AromaticContact CE1-CE2 3.7Å; Y506-F514 HydrophobicContact CE1-CE2 3.7Å; Y506-F514 AromaticContact CE1-CZ 3.88Å; Y506-F514 HydrophobicContact CE1-CZ 3.88Å; L507-F514 HydrophobicContact CD2-CD2 4.2Å; L507-F514 HydrophobicContact CD2-CE2 3.93Å; L507-F514 HydrophobicContact CD2-CZ 4.48Å; Y510-F514 WeakPolarHBondContact O-CD2 3.46Å; Y510-F514 PolarHBondContact O-N 3Å; N511-F514 PolarHBondContact O-N 3.35Å; F514-K516 VanDerWaalsContact C-N 3.34Å; F514-K516 PolarHBondContact O-N 3.37Å; F514-L517 PolarHBondContact O-N 2.89Å; F514-H518 WeakPolarHBondContact O-CB 3.49Å; F514-H518 PolarHBondContact O-N 3.44Å; F514-F549 HydrophobicContact CE1-CD1 4.41Å; F514-I551 HydrophobicContact CE1-CG1 4.35Å; F514-I551 HydrophobicContact CZ-CD1 3.97Å; F514-I551 HydrophobicContact CZ-CG1 4.03Å; F514-Y552 HydrophobicContact CB-CD1 3.71Å; F514-Y552 HydrophobicContact CB-CD2 3.69Å; F514-Y552 HydrophobicContact CB-CE1 3.91Å; F514-Y552 HydrophobicContact CB-CE2 3.9Å; F514-Y552 HydrophobicContact CB-CG 3.59Å; F514-Y552 HydrophobicContact CD1-CD1 4.36Å; F514-Y552 AromaticContact CD1-CG 3.94Å; F514-Y552 HydrophobicContact CD1-CG 3.94Å; F514-Y552 HydrophobicContact CD2-CD2 4.38Å; F514-Y552 HydrophobicContact CG-CD1 4.3Å; F514-Y552 AromaticContact CG-CD2 3.98Å; F514-Y552 HydrophobicContact CG-CD2 3.98Å; F514-Y552 AromaticContact CG-CG 3.79Å; F514-Y552 HydrophobicContact CG-CG 3.79Å; F514-I555 HydrophobicContact CD1-CD1 4.27Å
515K94.7Very high90.4Very high110 Ų11041 Ų4148%0.47821%0.208SC..Hα-helixtrans-56.3-46.7172.1-77.7178.9179.2-176.40111.8N511 I513 H518 T519 Y552N511-K515 WeakPolarHBondContact O-CB 3.03Å; N511-K515 VanDerWaalsContact O-CG 3.27Å; N511-K515 WeakPolarHBondContact O-CG 3.36Å; N511-K515 PolarHBondContact O-N 2.92Å; N511-K515 WeakPolarHBondContact OD1-CE 3.12Å; I513-K515 VanDerWaalsContact C-N 3.28Å; I513-K515 PolarHBondContact O-N 2.64Å; K515-H518 WeakPolarHBondContact O-CB 3.41Å; K515-H518 PolarHBondContact O-N 3.42Å; K515-T519 PolarHBondContact O-N 3.36Å; K515-T519 PolarHBondContact O-OG1 2.96Å; K515-Y552 WeakPolarHBondContact CG-OH 3.41Å
516K95.9Very high91.4Very high56 Ų5637.9 Ų37.924%0.24319%0.192CC..Hα-helixtrans-63.7-42.4177.4-68.3169.7179.9177.30112.2C457 L462 T512 I513 F514 H518 T519 I520C457-K516 WeakPolarHBondContact O-CD 3.28Å; C457-K516 WeakPolarHBondContact O-CE 3.41Å; C457-K516 PolarHBondContact O-NZ 3.46Å; L462-K516 HydrophobicContact CD1-CB 3.86Å; L462-K516 HydrophobicContact CD1-CD 4.24Å; T512-K516 WeakPolarHBondContact O-CG 3.36Å; T512-K516 PolarHBondContact O-N 3.24Å; I513-K516 WeakPolarHBondContact O-CA 3.22Å; I513-K516 WeakPolarHBondContact O-CB 3.25Å; I513-K516 PolarHBondContact O-N 2.98Å; F514-K516 VanDerWaalsContact C-N 3.34Å; F514-K516 PolarHBondContact O-N 3.37Å; K516-H518 VanDerWaalsContact C-N 3.31Å; K516-H518 PolarHBondContact O-N 2.83Å; K516-T519 PolarHBondContact O-N 2.99Å; K516-I520 PolarHBondContact O-N 3.07Å
517L96Very high92.2Very high0 Ų037.1 Ų37.10%019%0.189CC..Hα-helixtrans-63.9-37177.6-63.8-179.2000112.2L462 F486 I490 I513 F514 I520 N521 L522 F549 I555L462-L517 HydrophobicContact CD1-CD2 4.38Å; F486-L517 HydrophobicContact CD1-CD2 3.54Å; F486-L517 HydrophobicContact CE1-CD2 3.91Å; F486-L517 HydrophobicContact CG-CD2 4.45Å; I490-L517 HydrophobicContact CG2-CD1 4.17Å; I513-L517 HydrophobicContact CG2-CD1 4.23Å; I513-L517 HydrophobicContact CG2-CG 4.26Å; I513-L517 WeakPolarHBondContact O-CG 3.5Å; I513-L517 PolarHBondContact O-N 2.59Å; F514-L517 PolarHBondContact O-N 2.89Å; L517-I520 HydrophobicContact CD2-CD1 4.12Å; L517-I520 WeakPolarHBondContact O-CG1 3.29Å; L517-N521 PolarHBondContact O-N 2.81Å; L517-L522 HydrophobicContact CD1-CD2 4.49Å; L517-L522 HydrophobicContact CD2-CD2 4.12Å; L517-L522 PolarHBondContact O-N 2.94Å; L517-F549 HydrophobicContact CD1-CD1 3.88Å; L517-F549 HydrophobicContact CD1-CE1 3.76Å; L517-I555 HydrophobicContact CB-CD1 4.42Å
518H95.2Very high92.8Very high70 Ų7038.6 Ų38.632%0.32420%0.195SC..Hα-helixtrans-65-47.4170.1176.6-104.1000111.2F514 K515 K516 I520 N521 Y552 I555F514-H518 WeakPolarHBondContact O-CB 3.49Å; F514-H518 PolarHBondContact O-N 3.44Å; K515-H518 WeakPolarHBondContact O-CB 3.41Å; K515-H518 PolarHBondContact O-N 3.42Å; K516-H518 VanDerWaalsContact C-N 3.31Å; K516-H518 PolarHBondContact O-N 2.83Å; H518-I520 PolarHBondContact O-N 3.36Å; H518-N521 WeakPolarHBondContact O-CA 3.32Å; H518-N521 PolarHBondContact O-N 2.97Å; H518-Y552 HydrophobicContact CB-CE1 4.49Å; H518-I555 HydrophobicContact CB-CD1 4.33Å; H518-I555 HydrophobicContact CB-CG1 3.96Å
519T96.3Very high93.4Very high94 Ų9432.2 Ų32.258%0.57717%0.165SC*.Hα-helixtrans-59.6-41.7179.7-57.40000113I459 K515 K516 N521I459-T519 HydrophobicContact CD1-CG2 3.68Å; K515-T519 PolarHBondContact O-N 3.36Å; K515-T519 PolarHBondContact O-OG1 2.96Å; K516-T519 PolarHBondContact O-N 2.99Å; T519-N521 PolarHBondContact O-N 2.82Å
520I96.2Very high94.1Very high10 Ų1031 Ų315%0.05116%0.157CC..THydrogen-bonded Turntrans-74.9-5.3176.768.8178.4000113I459 L462 Y463 L466 F486 K516 L517 H518 L522I459-I520 HydrophobicContact CD1-CG2 4.47Å; I459-I520 HydrophobicContact CG1-CG2 3.85Å; L462-I520 HydrophobicContact CB-CD1 3.83Å; L462-I520 HydrophobicContact CB-CG2 4.41Å; Y463-I520 HydrophobicContact CD2-CB 4.5Å; L466-I520 HydrophobicContact CD2-CB 4.19Å; L466-I520 HydrophobicContact CD2-CD1 4.33Å; L466-I520 HydrophobicContact CD2-CG1 4.12Å; L466-I520 WeakPolarHBondContact CD2-O 3.27Å; F486-I520 HydrophobicContact CE1-CD1 3.86Å; F486-I520 HydrophobicContact CZ-CD1 4.04Å; K516-I520 PolarHBondContact O-N 3.07Å; L517-I520 HydrophobicContact CD2-CD1 4.12Å; L517-I520 WeakPolarHBondContact O-CG1 3.29Å; H518-I520 PolarHBondContact O-N 3.36Å; I520-L522 HydrophobicContact CD1-CB 4.43Å; I520-L522 HydrophobicContact CG1-CB 4.29Å
521N95Very high94.4Very high50 Ų5035 Ų3527%0.26718%0.179SC..THydrogen-bonded Turntrans63.743.4-180-163.611.2000113.9L517 H518 T519 C523 H524 Q558L517-N521 PolarHBondContact O-N 2.81Å; H518-N521 WeakPolarHBondContact O-CA 3.32Å; H518-N521 PolarHBondContact O-N 2.97Å; T519-N521 PolarHBondContact O-N 2.82Å; N521-C523 PolarHBondContact O-N 3.34Å; N521-H524 VanDerWaalsContact CG-CB 3.49Å; N521-H524 WeakPolarHBondContact ND2-CB 3.48Å; N521-H524 PolarHBondContact O-N 3.17Å; N521-H524 WeakPolarHBondContact OD1-CB 3.45Å; N521-H524 PolarHBondContact OD1-N 2.82Å; N521-Q558 PolarHBondContact OD1-NE2 2.97Å
522L96.8Very high94.4Very high2 Ų233.5 Ų33.51%0.0117%0.173CC..Hα-helixtrans-60-34.717717761.5000112.2L466 L483 F486 L517 I520 H524 H525 L526 F549L466-L522 HydrophobicContact CD1-CD1 3.93Å; L483-L522 HydrophobicContact CD2-CD1 4.36Å; F486-L522 HydrophobicContact CB-CD2 4.08Å; F486-L522 HydrophobicContact CD1-CD2 4.23Å; F486-L522 HydrophobicContact CD2-CD1 3.8Å; F486-L522 HydrophobicContact CD2-CD2 4.02Å; F486-L522 HydrophobicContact CE2-CD1 3.77Å; F486-L522 HydrophobicContact CG-CD1 4.47Å; F486-L522 HydrophobicContact CG-CD2 3.86Å; F486-L522 HydrophobicContact CZ-CD1 4.41Å; L517-L522 HydrophobicContact CD1-CD2 4.49Å; L517-L522 HydrophobicContact CD2-CD2 4.12Å; L517-L522 PolarHBondContact O-N 2.94Å; I520-L522 HydrophobicContact CD1-CB 4.43Å; I520-L522 HydrophobicContact CG1-CB 4.29Å; L522-H524 VanDerWaalsContact C-N 3.32Å; L522-H524 PolarHBondContact O-N 2.71Å; L522-H525 PolarHBondContact O-N 3.06Å; L522-L526 HydrophobicContact CG-CD1 4.15Å; L522-L526 PolarHBondContact O-N 3.46Å; L522-L526 VanDerWaalsContact O-N 3.12Å; L522-F549 HydrophobicContact CD2-CD1 4.32Å; L522-F549 HydrophobicContact CD2-CD2 4.4Å; L522-F549 HydrophobicContact CD2-CE1 4.02Å; L522-F549 HydrophobicContact CD2-CE2 4.08Å; L522-F549 HydrophobicContact CD2-CZ 3.9Å
523C95.7Very high93.9Very high2 Ų236 Ų361%0.01419%0.188CC..Hα-helixtrans-56.7-44.7178.9-175.90000112.3N521 H525 L526 I527 I555 Q558N521-C523 PolarHBondContact O-N 3.34Å; C523-H525 VanDerWaalsContact C-N 3.32Å; C523-H525 PolarHBondContact O-N 3.01Å; C523-L526 PolarHBondContact O-N 2.79Å; C523-I527 WeakPolarHBondContact O-CG1 3.46Å; C523-I527 PolarHBondContact O-N 2.96Å; C523-I555 HydrophobicContact CB-CG2 3.99Å; C523-Q558 VanDerWaalsContact CB-OE1 3.3Å
524H95.2Very high93.4Very high55 Ų5542.5 Ų42.526%0.25523%0.228SC..Hα-helixtrans-60.8-41.6179.3-179.652.1000112.2N521 L522 L526 I527 E528N521-H524 VanDerWaalsContact CG-CB 3.49Å; N521-H524 WeakPolarHBondContact ND2-CB 3.48Å; N521-H524 PolarHBondContact O-N 3.17Å; N521-H524 WeakPolarHBondContact OD1-CB 3.45Å; N521-H524 PolarHBondContact OD1-N 2.82Å; L522-H524 VanDerWaalsContact C-N 3.32Å; L522-H524 PolarHBondContact O-N 2.71Å; H524-L526 PolarHBondContact O-N 3.07Å; H524-I527 PolarHBondContact O-N 3.03Å; H524-E528 IonicContact CD2-OE1 3.74Å; H524-E528 IonicContact CE1-OE1 3.77Å; H524-E528 IonicContact NE2-OE1 3.3Å; H524-E528 PolarHBondContact NE2-OE1 3.42Å; H524-E528 WeakPolarHBondContact O-CG 3.5Å; H524-E528 PolarHBondContact O-N 3.15Å
525H96.8Very high93.2Very high0 Ų044.7 Ų44.70%024%0.24CC..Hα-helixtrans-63.4-41176.3-174.682.5000112.2L466 K470 Q479 L522 C523 I527 E528 L529L466-H525 HydrophobicContact CD1-CB 3.66Å; K470-H525 VanDerWaalsContact CG-ND1 3.31Å; K470-H525 WeakPolarHBondContact CG-ND1 3.13Å; Q479-H525 PolarHBondContact OE1-NE2 2.94Å; L522-H525 PolarHBondContact O-N 3.06Å; C523-H525 VanDerWaalsContact C-N 3.32Å; C523-H525 PolarHBondContact O-N 3.01Å; H525-I527 VanDerWaalsContact C-N 3.28Å; H525-I527 PolarHBondContact O-N 3.09Å; H525-E528 IonicContact ND1-OE2 3.58Å; H525-E528 WeakPolarHBondContact O-CB 3.33Å; H525-E528 PolarHBondContact O-N 3Å; H525-L529 WeakPolarHBondContact O-CG 3.12Å; H525-L529 PolarHBondContact O-N 3.3Å
526L96.7Very high93Very high0 Ų043.8 Ų43.80%024%0.235CC..Hα-helixtrans-62-37.1175-74.4162.7000112.2L483 L522 C523 H524 L529 L530 L546 F549L483-L526 HydrophobicContact CD1-CD2 3.9Å; L483-L526 HydrophobicContact CD2-CD2 3.63Å; L483-L526 HydrophobicContact CD2-CG 4.35Å; L483-L526 HydrophobicContact CG-CD2 4.44Å; L522-L526 HydrophobicContact CG-CD1 4.15Å; L522-L526 PolarHBondContact O-N 3.46Å; L522-L526 VanDerWaalsContact O-N 3.12Å; C523-L526 PolarHBondContact O-N 2.79Å; H524-L526 PolarHBondContact O-N 3.07Å; L526-L529 HydrophobicContact CD2-CD1 4.49Å; L526-L529 WeakPolarHBondContact O-CB 3.35Å; L526-L529 PolarHBondContact O-N 3.25Å; L526-L530 PolarHBondContact O-N 3.46Å; L526-L546 HydrophobicContact CB-CD1 4Å; L526-L546 HydrophobicContact CD1-CD1 4.2Å; L526-F549 HydrophobicContact CD1-CD2 3.53Å; L526-F549 HydrophobicContact CD1-CE2 3.96Å; L526-F549 HydrophobicContact CD1-CG 4.47Å
527I94.4Very high92.8Very high7 Ų744.6 Ų44.64%0.03624%0.24CC..Hα-helixtrans-70.3-37.6175.2-64165.5000111.1C523 H524 H525 L529 L530 N531 A559 K562 T564 I567C523-I527 WeakPolarHBondContact O-CG1 3.46Å; C523-I527 PolarHBondContact O-N 2.96Å; H524-I527 PolarHBondContact O-N 3.03Å; H525-I527 VanDerWaalsContact C-N 3.28Å; H525-I527 PolarHBondContact O-N 3.09Å; I527-L529 VanDerWaalsContact C-N 3.27Å; I527-L529 PolarHBondContact O-N 3.4Å; I527-L530 WeakPolarHBondContact O-CB 3.29Å; I527-L530 PolarHBondContact O-N 2.81Å; I527-L530 VanDerWaalsContact O-N 3.12Å; I527-N531 PolarHBondContact O-N 2.88Å; I527-N531 PolarHBondContact O-ND2 3.49Å; I527-A559 HydrophobicContact CD1-CB 4.44Å; I527-K562 HydrophobicContact CD1-CB 3.66Å; I527-K562 HydrophobicContact CD1-CG 4.1Å; I527-T564 WeakPolarHBondContact CD1-OG1 3.5Å; I527-I567 HydrophobicContact CG2-CD1 4.07Å
528E94.3Very high92.7Very high65 Ų6544.7 Ų44.730%0.30424%0.241SC..Hα-helixtrans-58.3-40.5171.8-72.3176.2156.700111.4H524 H525 L530 N531 C532H524-E528 IonicContact CD2-OE1 3.74Å; H524-E528 IonicContact CE1-OE1 3.77Å; H524-E528 IonicContact NE2-OE1 3.3Å; H524-E528 PolarHBondContact NE2-OE1 3.42Å; H524-E528 WeakPolarHBondContact O-CG 3.5Å; H524-E528 PolarHBondContact O-N 3.15Å; H525-E528 IonicContact ND1-OE2 3.58Å; H525-E528 WeakPolarHBondContact O-CB 3.33Å; H525-E528 PolarHBondContact O-N 3Å; E528-L530 VanDerWaalsContact C-N 3.3Å; E528-L530 PolarHBondContact O-N 2.85Å; E528-N531 PolarHBondContact O-N 3.04Å; E528-C532 PolarHBondContact O-N 2.75Å
529L95.4Very high92.6Very high0 Ų041.8 Ų41.80%023%0.228CC..Hα-helixtrans-62.4-34.4174.8-65178.4000113.1L473 Q479 L483 H525 L526 I527 N531 C532 M538 I541L473-L529 HydrophobicContact CD1-CD2 3.63Å; Q479-L529 HydrophobicContact CG-CD2 4.1Å; L483-L529 HydrophobicContact CD1-CD1 4.12Å; H525-L529 WeakPolarHBondContact O-CG 3.12Å; H525-L529 PolarHBondContact O-N 3.3Å; L526-L529 HydrophobicContact CD2-CD1 4.49Å; L526-L529 WeakPolarHBondContact O-CB 3.35Å; L526-L529 PolarHBondContact O-N 3.25Å; I527-L529 VanDerWaalsContact C-N 3.27Å; I527-L529 PolarHBondContact O-N 3.4Å; L529-N531 VanDerWaalsContact C-N 3.25Å; L529-N531 PolarHBondContact O-N 3.13Å; L529-C532 WeakPolarHBondContact O-CB 3.06Å; L529-C532 PolarHBondContact O-N 3.13Å; L529-M538 HydrophobicContact CD2-CB 4.47Å; L529-M538 HydrophobicContact CD2-SD 4.14Å; L529-I541 HydrophobicContact CD1-CG2 4.39Å
530L93.8Very high92.5Very high2 Ų238.9 Ų38.91%0.0121%0.207CC..Hα-helixtrans-67.5-27.7174.3-61.1-174.3000112.5L526 I527 E528 C532 I543 L546 I567 L571L526-L530 PolarHBondContact O-N 3.46Å; I527-L530 WeakPolarHBondContact O-CB 3.29Å; I527-L530 PolarHBondContact O-N 2.81Å; I527-L530 VanDerWaalsContact O-N 3.12Å; E528-L530 VanDerWaalsContact C-N 3.3Å; E528-L530 PolarHBondContact O-N 2.85Å; L530-C532 VanDerWaalsContact C-N 3.31Å; L530-I543 HydrophobicContact CD2-CB 3.78Å; L530-I543 HydrophobicContact CD2-CG1 4.42Å; L530-L546 HydrophobicContact CD1-CD2 3.7Å; L530-I567 HydrophobicContact CB-CG2 3.87Å; L530-I567 HydrophobicContact CD1-CG2 4.23Å; L530-L571 HydrophobicContact CB-CD1 4.08Å; L530-L571 HydrophobicContact CD2-CD1 4.11Å
531N91.2Very high92.4Very high87 Ų8738.7 Ų38.747%0.46521%0.206SC..THydrogen-bonded Turntrans-85.9-0.3178.6-67.7-35.4000113.3I527 E528 L529 T533I527-N531 PolarHBondContact O-N 2.88Å; I527-N531 PolarHBondContact O-ND2 3.49Å; E528-N531 PolarHBondContact O-N 3.04Å; L529-N531 VanDerWaalsContact C-N 3.25Å; L529-N531 PolarHBondContact O-N 3.13Å; N531-T533 PolarHBondContact O-N 3.06Å
532C88.2Confident92.3Very high24 Ų2436.3 Ų36.316%0.16219%0.193CC..  trans-7465.3173.9-71.50000111.7E528 L529 L530 T534 N535 M538E528-C532 PolarHBondContact O-N 2.75Å; L529-C532 WeakPolarHBondContact O-CB 3.06Å; L529-C532 PolarHBondContact O-N 3.13Å; L530-C532 VanDerWaalsContact C-N 3.31Å; C532-T534 PolarHBondContact O-N 2.88Å; C532-N535 PolarHBondContact O-N 2.75Å; C532-M538 HydrophobicContact CB-CB 3.9Å
533T79.2Confident92.1Very high120 Ų12036.2 Ų36.274%0.73619%0.193SC*.THydrogen-bonded Turntrans-56.8-23.9-173.954.90000114.5N531N531-T533 PolarHBondContact O-N 3.06Å
534T81.9Confident92Very high138 Ų13836.7 Ų36.785%0.84720%0.196SC*.THydrogen-bonded Turntrans-84.1-15179.1560000114.1C532C532-T534 PolarHBondContact O-N 2.88Å
535N88.6Confident91.9Very high47 Ų4735 Ų3525%0.25119%0.187SC..  trans-129.295-175.8-170.3-24.2000111.4C532 E537 M538 I539C532-N535 PolarHBondContact O-N 2.75Å; N535-E537 PolarHBondContact O-N 3.45Å; N535-E537 PolarHBondContact OD1-N 2.83Å; N535-M538 HydrophobicContact CB-CB 4.27Å; N535-M538 HydrophobicContact CB-CG 3.93Å; N535-M538 WeakPolarHBondContact O-CB 3.32Å; N535-M538 PolarHBondContact O-N 2.8Å; N535-M538 PolarHBondContact OD1-N 2.86Å; N535-I539 PolarHBondContact O-N 2.77Å
536K89.9Confident91.7Very high90 Ų9035 Ų3539%0.39119%0.187SC..Hα-helixtrans-58.2-33.1-178.4-169.7173.1-179.1-175.40113.7M538 I539 K540 N575 D578K536-M538 VanDerWaalsContact C-N 3.32Å; K536-M538 PolarHBondContact O-N 3.38Å; K536-I539 PolarHBondContact O-N 3.47Å; K536-K540 WeakPolarHBondContact O-CG 3.39Å; K536-K540 PolarHBondContact O-N 3.18Å; K536-K540 VanDerWaalsContact O-N 3.07Å; K536-N575 VanDerWaalsContact CE-OD1 3.24Å; K536-N575 WeakPolarHBondContact CE-OD1 3.38Å; K536-N575 PolarHBondContact NZ-OD1 3.42Å; K536-D578 WeakPolarHBondContact CE-OD2 3.47Å; K536-D578 IonicContact NZ-OD2 2.78Å; K536-D578 PolarHBondContact NZ-OD2 2.86Å
537E92.7Very high91.4Very high74 Ų7437.9 Ų37.935%0.34620%0.198SC..Hα-helixtrans-68.4-32.5178-68.4-61.6120.600111.9V476 N535 K540 I541V476-E537 HydrophobicContact CG1-CB 4.41Å; V476-E537 HydrophobicContact CG2-CB 4.3Å; N535-E537 PolarHBondContact O-N 3.45Å; N535-E537 PolarHBondContact OD1-N 2.83Å; E537-K540 PolarHBondContact O-N 3.34Å; E537-K540 WeakPolarHBondContact OE1-CD 3.34Å; E537-K540 IonicContact OE1-NZ 3.65Å; E537-K540 PolarHBondContact OE1-NZ 2.89Å; E537-I541 WeakPolarHBondContact O-CB 3.31Å; E537-I541 VanDerWaalsContact O-CG1 3.26Å; E537-I541 WeakPolarHBondContact O-CG1 3.38Å; E537-I541 PolarHBondContact O-N 2.86Å
538M93.2Very high91.1Very high2 Ų239.6 Ų39.61%0.0121%0.206CC..Hα-helixtrans-66.3-40.8173.1-67.3-60.3-173.900112.1L473 Q474 Y475 V476 Q479 L529 C532 N535 K536 I541 G542L473-M538 WeakPolarHBondContact O-CE 3.29Å; Q474-M538 VanDerWaalsContact O-CE 3.24Å; Q474-M538 WeakPolarHBondContact O-CE 3.24Å; Y475-M538 VanDerWaalsContact C-CE 3.49Å; V476-M538 VanDerWaalsContact CA-CE 3.49Å; V476-M538 HydrophobicContact CB-CE 4.22Å; V476-M538 HydrophobicContact CG2-CE 3.72Å; V476-M538 HydrophobicContact CG2-SD 4.33Å; V476-M538 VanDerWaalsContact N-CE 3.27Å; Q479-M538 HydrophobicContact CB-SD 4.11Å; Q479-M538 HydrophobicContact CG-CE 3.8Å; Q479-M538 HydrophobicContact CG-SD 3.6Å; Q479-M538 VanDerWaalsContact CG-SD 3.6Å; L529-M538 HydrophobicContact CD2-CB 4.47Å; L529-M538 HydrophobicContact CD2-SD 4.14Å; C532-M538 HydrophobicContact CB-CB 3.9Å; N535-M538 HydrophobicContact CB-CB 4.27Å; N535-M538 HydrophobicContact CB-CG 3.93Å; N535-M538 WeakPolarHBondContact O-CB 3.32Å; N535-M538 PolarHBondContact O-N 2.8Å; N535-M538 PolarHBondContact OD1-N 2.86Å; K536-M538 VanDerWaalsContact C-N 3.32Å; K536-M538 PolarHBondContact O-N 3.38Å; M538-I541 PolarHBondContact O-N 2.91Å; M538-G542 PolarHBondContact O-N 3.37Å
539I92.8Very high91Very high9 Ų936.6 Ų36.65%0.04619%0.192CC..Hα-helixtrans-60.4-47.8176.6-63.8171.5000110N535 K536 I541 G542 I543 L571 I581N535-I539 PolarHBondContact O-N 2.77Å; K536-I539 PolarHBondContact O-N 3.47Å; I539-I541 VanDerWaalsContact C-N 3.34Å; I539-I541 PolarHBondContact O-N 3.39Å; I539-G542 PolarHBondContact O-N 2.9Å; I539-I543 WeakPolarHBondContact O-CB 3.47Å; I539-I543 WeakPolarHBondContact O-CG2 3.48Å; I539-I543 PolarHBondContact O-N 3.03Å; I539-L571 HydrophobicContact CD1-CD2 3.92Å; I539-L571 HydrophobicContact CG2-CD1 3.71Å; I539-L571 HydrophobicContact CG2-CD2 3.84Å; I539-L571 HydrophobicContact CG2-CG 4.32Å; I539-I581 HydrophobicContact CG2-CD1 4.33Å
540K93.8Very high90.7Very high32 Ų3236.8 Ų36.814%0.13919%0.193CC..Hα-helixtrans-59.4-42.9176.7-73.8173.2173.4-178.80112.5K536 E537 I543 S544 D578 E580 I581K536-K540 WeakPolarHBondContact O-CG 3.39Å; K536-K540 PolarHBondContact O-N 3.18Å; K536-K540 VanDerWaalsContact O-N 3.07Å; E537-K540 PolarHBondContact O-N 3.34Å; E537-K540 WeakPolarHBondContact OE1-CD 3.34Å; E537-K540 IonicContact OE1-NZ 3.65Å; E537-K540 PolarHBondContact OE1-NZ 2.89Å; K540-I543 WeakPolarHBondContact O-CG2 3.43Å; K540-S544 WeakPolarHBondContact O-CB 3.31Å; K540-S544 PolarHBondContact O-N 3.09Å; K540-S544 PolarHBondContact O-OG 3.2Å; K540-D578 WeakPolarHBondContact CE-OD2 3.38Å; K540-D578 IonicContact NZ-OD2 2.99Å; K540-E580 WeakPolarHBondContact CD-OE2 3.22Å; K540-I581 HydrophobicContact CG-CD1 4.34Å; K540-I581 HydrophobicContact CG-CG1 4Å
541I94.2Very high90.3Very high6 Ų638.7 Ų38.73%0.03120%0.202CC..Hα-helixtrans-63.4-50.5175.1-72170.9000110.4V476 Q479 R480 L483 L529 E537 M538 I539 I543 S544 Y545V476-I541 HydrophobicContact CG1-CD1 3.61Å; Q479-I541 HydrophobicContact CB-CG2 4.32Å; R480-I541 HydrophobicContact CB-CD1 4.23Å; L483-I541 HydrophobicContact CD1-CG2 3.33Å; L529-I541 HydrophobicContact CD1-CG2 4.39Å; E537-I541 WeakPolarHBondContact O-CB 3.31Å; E537-I541 VanDerWaalsContact O-CG1 3.26Å; E537-I541 WeakPolarHBondContact O-CG1 3.38Å; E537-I541 PolarHBondContact O-N 2.86Å; M538-I541 PolarHBondContact O-N 2.91Å; I539-I541 VanDerWaalsContact C-N 3.34Å; I539-I541 PolarHBondContact O-N 3.39Å; I541-I543 PolarHBondContact O-N 3.34Å; I541-S544 PolarHBondContact O-N 3.06Å; I541-S544 PolarHBondContact O-OG 2.87Å; I541-Y545 HydrophobicContact CG2-CD2 4.48Å; I541-Y545 VanDerWaalsContact O-CD2 3.32Å; I541-Y545 WeakPolarHBondContact O-CD2 3.3Å; I541-Y545 PolarHBondContact O-N 3.41Å
542G94.3Very high90.1Very high0 Ų035.8 Ų35.80%019%0.185CC..Hα-helixtrans-56.9-49.4179.600000112.2M538 I539 S544 Y545 L546M538-G542 PolarHBondContact O-N 3.37Å; I539-G542 PolarHBondContact O-N 2.9Å; G542-S544 PolarHBondContact O-N 3.35Å; G542-Y545 PolarHBondContact O-N 3.45Å; G542-L546 WeakPolarHBondContact O-CB 3.46Å; G542-L546 PolarHBondContact O-N 3.09Å
543I92.7Very high90.1Very high0 Ų039.7 Ų39.70%020%0.201CC..Hα-helixtrans-69.7-36.3-175.6-156.3169.6000112.1L530 I539 K540 I541 Y545 T568 I581 N584 V588L530-I543 HydrophobicContact CD2-CB 3.78Å; L530-I543 HydrophobicContact CD2-CG1 4.42Å; I539-I543 WeakPolarHBondContact O-CB 3.47Å; I539-I543 WeakPolarHBondContact O-CG2 3.48Å; I539-I543 PolarHBondContact O-N 3.03Å; K540-I543 WeakPolarHBondContact O-CG2 3.43Å; I541-I543 PolarHBondContact O-N 3.34Å; I543-Y545 PolarHBondContact O-N 2.99Å; I543-T568 HydrophobicContact CD1-CG2 4.28Å; I543-I581 HydrophobicContact CD1-CG2 4.07Å; I543-N584 HydrophobicContact CB-CB 4.39Å; I543-N584 HydrophobicContact CG1-CB 4.05Å; I543-N584 HydrophobicContact CG2-CB 3.9Å; I543-V588 HydrophobicContact CG1-CG2 4.19Å
544S91.9Very high90.6Very high12 Ų1236 Ų368%0.08418%0.179CC..Hα-helixtrans-69.9-17179.665.80000114.3K540 I541 G542 W547 K548 N584K540-S544 WeakPolarHBondContact O-CB 3.31Å; K540-S544 PolarHBondContact O-N 3.09Å; K540-S544 PolarHBondContact O-OG 3.2Å; I541-S544 PolarHBondContact O-N 3.06Å; I541-S544 PolarHBondContact O-OG 2.87Å; G542-S544 PolarHBondContact O-N 3.35Å; S544-W547 PolarHBondContact O-NE1 2.94Å; S544-K548 VanDerWaalsContact O-CE 3.3Å; S544-K548 WeakPolarHBondContact O-CE 3.46Å; S544-K548 PolarHBondContact O-NZ 3.37Å; S544-N584 WeakPolarHBondContact CA-OD1 3.39Å
545Y93.8Very high91.1Very high20 Ų2029.5 Ų29.58%0.07814%0.139CC..Hα-helixtrans-107.4-31.9177.4-79.2-91000113.5L483 E484 K487 I541 G542 I543 W547 K548 F549L483-Y545 HydrophobicContact CB-CD1 3.73Å; L483-Y545 HydrophobicContact CB-CD2 3.95Å; L483-Y545 HydrophobicContact CB-CE1 3.71Å; L483-Y545 HydrophobicContact CB-CE2 3.94Å; L483-Y545 HydrophobicContact CB-CG 3.84Å; L483-Y545 HydrophobicContact CD1-CD2 3.81Å; L483-Y545 HydrophobicContact CD1-CE2 4.38Å; L483-Y545 HydrophobicContact CD1-CG 3.94Å; L483-Y545 HydrophobicContact CG-CD2 4.47Å; L483-Y545 HydrophobicContact CG-CG 4.31Å; L483-Y545 VanDerWaalsContact O-CE1 3.26Å; L483-Y545 WeakPolarHBondContact O-CE1 3.44Å; E484-Y545 WeakPolarHBondContact CG-OH 3.41Å; K487-Y545 HydrophobicContact CB-CD1 4.2Å; K487-Y545 HydrophobicContact CB-CE1 3.69Å; K487-Y545 HydrophobicContact CD-CE1 3.79Å; K487-Y545 HydrophobicContact CG-CE1 4.23Å; I541-Y545 HydrophobicContact CG2-CD2 4.48Å; I541-Y545 VanDerWaalsContact O-CD2 3.32Å; I541-Y545 WeakPolarHBondContact O-CD2 3.3Å; I541-Y545 PolarHBondContact O-N 3.41Å; G542-Y545 PolarHBondContact O-N 3.45Å; I543-Y545 PolarHBondContact O-N 2.99Å; Y545-W547 PolarHBondContact O-N 3.2Å; Y545-K548 HydrophobicContact CD1-CD 4.37Å; Y545-K548 WeakPolarHBondContact O-CB 3.08Å; Y545-K548 PolarHBondContact O-N 3.25Å; Y545-F549 HydrophobicContact CD1-CE2 4.35Å; Y545-F549 WeakPolarHBondContact O-CD2 3.46Å
546L93.5Very high91.2Very high0 Ų027.3 Ų27.30%013%0.127CC..Hα-helixtrans-54.4-49.3-174.3-178.357.2000113.6L526 L530 G542 K548 F549 C550 T564 V588L526-L546 HydrophobicContact CB-CD1 4Å; L526-L546 HydrophobicContact CD1-CD1 4.2Å; L530-L546 HydrophobicContact CD1-CD2 3.7Å; G542-L546 WeakPolarHBondContact O-CB 3.46Å; G542-L546 PolarHBondContact O-N 3.09Å; L546-K548 PolarHBondContact O-N 3.18Å; L546-K548 VanDerWaalsContact O-N 3.17Å; L546-F549 PolarHBondContact O-N 3.1Å; L546-F549 VanDerWaalsContact O-N 3.08Å; L546-C550 PolarHBondContact O-N 2.99Å; L546-C550 PolarHBondContact O-SG 2.91Å; L546-C550 VanDerWaalsContact O-SG 3.42Å; L546-T564 HydrophobicContact CD2-CG2 3.48Å; L546-T564 VanDerWaalsContact CD2-CG2 3.48Å; L546-V588 HydrophobicContact CB-CG2 4.22Å; L546-V588 HydrophobicContact CD2-CG1 4.3Å; L546-V588 HydrophobicContact CD2-CG2 4.33Å; L546-V588 HydrophobicContact CG-CG2 4.32Å
547W88.7Confident91.1Very high61 Ų6125.9 Ų25.923%0.23112%0.124CC..Hα-helixtrans-61.9-28.5-177.969.5-98.3000113S544 Y545 F549 C550 N584 M587 V588 S591S544-W547 PolarHBondContact O-NE1 2.94Å; Y545-W547 PolarHBondContact O-N 3.2Å; W547-F549 VanDerWaalsContact C-N 3.28Å; W547-F549 PolarHBondContact O-N 2.77Å; W547-C550 PolarHBondContact O-N 3.12Å; W547-N584 PolarHBondContact NE1-OD1 3.27Å; W547-M587 HydrophobicContact CB-CB 3.84Å; W547-M587 HydrophobicContact CD2-CB 3.76Å; W547-M587 HydrophobicContact CD2-CE 4.33Å; W547-M587 HydrophobicContact CD2-CG 4.35Å; W547-M587 HydrophobicContact CE3-CB 4.31Å; W547-M587 HydrophobicContact CE3-CE 3.84Å; W547-M587 HydrophobicContact CG-CB 3.54Å; W547-M587 HydrophobicContact CH2-CE 4.27Å; W547-M587 HydrophobicContact CZ3-CE 3.82Å; W547-V588 HydrophobicContact CB-CB 4.44Å; W547-V588 HydrophobicContact CB-CG2 3.77Å; W547-S591 PolarHBondContact O-OG 3.37Å
548K88.9Confident91Very high43 Ų4324.2 Ų24.219%0.18712%0.116CC..Hα-helixtrans-68.1-27178.9-59.8176177.9135.80112.5S544 Y545 L546 I551S544-K548 VanDerWaalsContact O-CE 3.3Å; S544-K548 WeakPolarHBondContact O-CE 3.46Å; S544-K548 PolarHBondContact O-NZ 3.37Å; Y545-K548 HydrophobicContact CD1-CD 4.37Å; Y545-K548 WeakPolarHBondContact O-CB 3.08Å; Y545-K548 PolarHBondContact O-N 3.25Å; L546-K548 PolarHBondContact O-N 3.18Å; L546-K548 VanDerWaalsContact O-N 3.17Å; K548-I551 WeakPolarHBondContact O-CD1 3.34Å; K548-I551 VanDerWaalsContact O-CG1 3.27Å; K548-I551 WeakPolarHBondContact O-CG1 3.38Å
549F91.7Very high91Very high2 Ų224.1 Ų24.11%0.00912%0.115CC..Hα-helixtrans-94.7-28176.3-58.2-71.4000112.1F486 I490 F514 L517 L522 L526 Y545 L546 W547 I551 Y552 I555F486-F549 HydrophobicContact CB-CE1 4.33Å; F486-F549 HydrophobicContact CB-CZ 3.86Å; I490-F549 HydrophobicContact CD1-CD1 3.81Å; I490-F549 HydrophobicContact CD1-CE1 3.58Å; I490-F549 HydrophobicContact CD1-CZ 4.42Å; I490-F549 HydrophobicContact CG1-CE1 4.37Å; F514-F549 HydrophobicContact CE1-CD1 4.41Å; L517-F549 HydrophobicContact CD1-CD1 3.88Å; L517-F549 HydrophobicContact CD1-CE1 3.76Å; L522-F549 HydrophobicContact CD2-CD1 4.32Å; L522-F549 HydrophobicContact CD2-CD2 4.4Å; L522-F549 HydrophobicContact CD2-CE1 4.02Å; L522-F549 HydrophobicContact CD2-CE2 4.08Å; L522-F549 HydrophobicContact CD2-CZ 3.9Å; L526-F549 HydrophobicContact CD1-CD2 3.53Å; L526-F549 HydrophobicContact CD1-CE2 3.96Å; L526-F549 HydrophobicContact CD1-CG 4.47Å; Y545-F549 HydrophobicContact CD1-CE2 4.35Å; Y545-F549 WeakPolarHBondContact O-CD2 3.46Å; L546-F549 PolarHBondContact O-N 3.1Å; L546-F549 VanDerWaalsContact O-N 3.08Å; W547-F549 VanDerWaalsContact C-N 3.28Å; W547-F549 PolarHBondContact O-N 2.77Å; F549-I551 PolarHBondContact O-N 3.41Å; F549-I551 VanDerWaalsContact O-N 3.14Å; F549-Y552 PolarHBondContact O-N 3.44Å; F549-Y552 VanDerWaalsContact O-N 3.11Å; F549-I555 HydrophobicContact CB-CD1 4.33Å; F549-I555 HydrophobicContact CB-CG2 4.08Å
550C89.6Confident90.8Very high3 Ų325.6 Ų25.62%0.0213%0.129CC..THydrogen-bonded Turntrans-67.3-4.5174.9-73.30000114.7L546 W547 Y552 A556L546-C550 PolarHBondContact O-N 2.99Å; L546-C550 PolarHBondContact O-SG 2.91Å; L546-C550 VanDerWaalsContact O-SG 3.42Å; W547-C550 PolarHBondContact O-N 3.12Å; C550-Y552 PolarHBondContact O-N 3.27Å; C550-A556 HydrophobicContact CB-CB 3.79Å; C550-A556 WeakPolarHBondContact O-CB 3.46Å
551I84.7Confident90.4Very high42 Ų4230.3 Ų30.322%0.21516%0.156CC..THydrogen-bonded Turntrans-66.4-21.1167.464.5-172.8000112.3Y506 L507 F514 K548 F549Y506-I551 HydrophobicContact CD1-CD1 4.22Å; Y506-I551 HydrophobicContact CE1-CD1 3.44Å; Y506-I551 VanDerWaalsContact CE1-CD1 3.44Å; Y506-I551 HydrophobicContact CE1-CG1 4.48Å; L507-I551 HydrophobicContact CD2-CG1 4.27Å; F514-I551 HydrophobicContact CE1-CG1 4.35Å; F514-I551 HydrophobicContact CZ-CD1 3.97Å; F514-I551 HydrophobicContact CZ-CG1 4.03Å; K548-I551 WeakPolarHBondContact O-CD1 3.34Å; K548-I551 VanDerWaalsContact O-CG1 3.27Å; K548-I551 WeakPolarHBondContact O-CG1 3.38Å; F549-I551 PolarHBondContact O-N 3.41Å; F549-I551 VanDerWaalsContact O-N 3.14Å
552Y88.6Confident90.2Very high26 Ų2635.1 Ų35.110%0.10218%0.177CC..SBendtrans-90120.7172.9-174.1-116.9000110.6L507 N511 F514 K515 H518 F549 C550 P554 I555 A556L507-Y552 HydrophobicContact CD2-CD2 4.29Å; N511-Y552 WeakPolarHBondContact OD1-CE2 3.43Å; N511-Y552 PolarHBondContact OD1-OH 2.97Å; F514-Y552 HydrophobicContact CB-CD1 3.71Å; F514-Y552 HydrophobicContact CB-CD2 3.69Å; F514-Y552 HydrophobicContact CB-CE1 3.91Å; F514-Y552 HydrophobicContact CB-CE2 3.9Å; F514-Y552 HydrophobicContact CB-CG 3.59Å; F514-Y552 HydrophobicContact CD1-CD1 4.36Å; F514-Y552 AromaticContact CD1-CG 3.94Å; F514-Y552 HydrophobicContact CD1-CG 3.94Å; F514-Y552 HydrophobicContact CD2-CD2 4.38Å; F514-Y552 HydrophobicContact CG-CD1 4.3Å; F514-Y552 AromaticContact CG-CD2 3.98Å; F514-Y552 HydrophobicContact CG-CD2 3.98Å; F514-Y552 AromaticContact CG-CG 3.79Å; F514-Y552 HydrophobicContact CG-CG 3.79Å; K515-Y552 WeakPolarHBondContact CG-OH 3.41Å; H518-Y552 HydrophobicContact CB-CE1 4.49Å; F549-Y552 PolarHBondContact O-N 3.44Å; F549-Y552 VanDerWaalsContact O-N 3.11Å; C550-Y552 PolarHBondContact O-N 3.27Å; Y552-P554 HydrophobicContact CD1-CB 4.1Å; Y552-P554 HydrophobicContact CD1-CG 4.02Å; Y552-P554 HydrophobicContact CE1-CB 3.75Å; Y552-P554 HydrophobicContact CE1-CG 3.45Å; Y552-P554 VanDerWaalsContact CE1-CG 3.45Å; Y552-I555 HydrophobicContact CD1-CB 4.45Å; Y552-I555 HydrophobicContact CD1-CD1 4.01Å; Y552-I555 HydrophobicContact CD1-CG1 4Å; Y552-I555 PolarHBondContact O-N 3.17Å; Y552-I555 VanDerWaalsContact O-N 3.09Å; Y552-A556 PolarHBondContact O-N 2.93Å; Y552-A556 VanDerWaalsContact O-N 3.13Å
553E87.2Confident89.9Confident107 Ų10740.6 Ų40.650%0.521%0.206SC..Hα-helixtrans-54.1-49.2-169.2171.7179-16500114.4I555 A556 L557 I595E553-I555 VanDerWaalsContact C-N 3.3Å; E553-I555 PolarHBondContact O-N 2.75Å; E553-A556 PolarHBondContact O-N 3.36Å; E553-A556 VanDerWaalsContact O-N 3.14Å; E553-L557 HydrophobicContact CG-CD1 4.01Å; E553-L557 HydrophobicContact CG-CG 4.36Å; E553-L557 WeakPolarHBondContact O-CG 3.25Å; E553-L557 PolarHBondContact O-N 3.23Å; E553-I595 HydrophobicContact CB-CD1 4.43Å; E553-I595 HydrophobicContact CG-CD1 4.22Å
554P90.8Very high89.8Confident42 Ų4240.6 Ų40.627%0.27321%0.206SC..Hα-helixtrans-56.1-39.6176.8-29.836.2000114.7Y552 Q558Y552-P554 HydrophobicContact CD1-CB 4.1Å; Y552-P554 HydrophobicContact CD1-CG 4.02Å; Y552-P554 HydrophobicContact CE1-CB 3.75Å; Y552-P554 HydrophobicContact CE1-CG 3.45Å; Y552-P554 VanDerWaalsContact CE1-CG 3.45Å; P554-Q558 WeakPolarHBondContact O-CB 3.32Å; P554-Q558 PolarHBondContact O-N 3.45Å
555I92.2Very high89.7Confident2 Ų241.2 Ų41.21%0.0121%0.208CC..Hα-helixtrans-69.5-38.9178.8-73.8171000110.7F514 L517 H518 C523 F549 Y552 E553 Q558 A559F514-I555 HydrophobicContact CD1-CD1 4.27Å; L517-I555 HydrophobicContact CB-CD1 4.42Å; H518-I555 HydrophobicContact CB-CD1 4.33Å; H518-I555 HydrophobicContact CB-CG1 3.96Å; C523-I555 HydrophobicContact CB-CG2 3.99Å; F549-I555 HydrophobicContact CB-CD1 4.33Å; F549-I555 HydrophobicContact CB-CG2 4.08Å; Y552-I555 HydrophobicContact CD1-CB 4.45Å; Y552-I555 HydrophobicContact CD1-CD1 4.01Å; Y552-I555 HydrophobicContact CD1-CG1 4Å; Y552-I555 PolarHBondContact O-N 3.17Å; Y552-I555 VanDerWaalsContact O-N 3.09Å; E553-I555 VanDerWaalsContact C-N 3.3Å; E553-I555 PolarHBondContact O-N 2.75Å; I555-Q558 WeakPolarHBondContact O-CB 3.42Å; I555-Q558 PolarHBondContact O-N 3.32Å; I555-A559 WeakPolarHBondContact O-CB 3.35Å; I555-A559 PolarHBondContact O-N 3.09Å
556A89.2Confident89.5Confident0 Ų043.1 Ų43.10%022%0.224CC..Hα-helixtrans-76.2-30.8179.300000113.5C550 Y552 E553 A559 A560 L592 I595C550-A556 HydrophobicContact CB-CB 3.79Å; C550-A556 WeakPolarHBondContact O-CB 3.46Å; Y552-A556 PolarHBondContact O-N 2.93Å; Y552-A556 VanDerWaalsContact O-N 3.13Å; E553-A556 PolarHBondContact O-N 3.36Å; E553-A556 VanDerWaalsContact O-N 3.14Å; A556-A559 PolarHBondContact O-N 3.12Å; A556-A560 WeakPolarHBondContact O-CB 3.25Å; A556-A560 PolarHBondContact O-N 3.44Å; A556-L592 HydrophobicContact CB-CD2 4.08Å; A556-L592 WeakPolarHBondContact O-CD2 3.36Å; A556-I595 HydrophobicContact CB-CD1 3.2Å; A556-I595 HydrophobicContact CB-CG1 4.35Å
557L89.8Confident89.4Confident60 Ų6044.3 Ų44.331%0.31423%0.23SC..Hα-helixtrans-60.1-48.6165.9-74.9171.5000110.7E553 A559 A560 D561 I595 I599E553-L557 HydrophobicContact CG-CD1 4.01Å; E553-L557 HydrophobicContact CG-CG 4.36Å; E553-L557 WeakPolarHBondContact O-CG 3.25Å; E553-L557 PolarHBondContact O-N 3.23Å; L557-A559 VanDerWaalsContact C-N 3.3Å; L557-A559 PolarHBondContact O-N 3.19Å; L557-A560 WeakPolarHBondContact O-CB 3.3Å; L557-A560 PolarHBondContact O-N 2.96Å; L557-A560 VanDerWaalsContact O-N 3.08Å; L557-D561 PolarHBondContact O-N 3.23Å; L557-I595 HydrophobicContact CD2-CG2 3.61Å; L557-I595 HydrophobicContact CG-CD1 4.34Å; L557-I595 HydrophobicContact CG-CG2 4.19Å; L557-I599 HydrophobicContact CD2-CD1 4.04Å
558Q90.4Very high89.5Confident39 Ų3941.4 Ų41.418%0.18222%0.219CC..Hα-helixtrans-58.3-41.8176.4-173.6-177.42400112.4N521 C523 P554 I555 K562N521-Q558 PolarHBondContact OD1-NE2 2.97Å; C523-Q558 VanDerWaalsContact CB-OE1 3.3Å; P554-Q558 WeakPolarHBondContact O-CB 3.32Å; P554-Q558 PolarHBondContact O-N 3.45Å; I555-Q558 WeakPolarHBondContact O-CB 3.42Å; I555-Q558 PolarHBondContact O-N 3.32Å; Q558-K562 VanDerWaalsContact O-CG 3.31Å; Q558-K562 WeakPolarHBondContact O-CG 3.32Å; Q558-K562 PolarHBondContact O-N 3.2Å
559A91.9Very high89.6Confident0 Ų040.3 Ų40.30%022%0.216CC..Hα-helixtrans-64.7-41.1175.200000112I527 I555 A556 L557 K562 T564 L592I527-A559 HydrophobicContact CD1-CB 4.44Å; I555-A559 WeakPolarHBondContact O-CB 3.35Å; I555-A559 PolarHBondContact O-N 3.09Å; A556-A559 PolarHBondContact O-N 3.12Å; L557-A559 VanDerWaalsContact C-N 3.3Å; L557-A559 PolarHBondContact O-N 3.19Å; A559-K562 PolarHBondContact O-N 3.21Å; A559-T564 HydrophobicContact CB-CG2 4.4Å; A559-T564 WeakPolarHBondContact O-CB 3.19Å; A559-T564 PolarHBondContact O-N 2.9Å; A559-T564 PolarHBondContact O-OG1 2.94Å; A559-L592 HydrophobicContact CB-CD2 3.92Å
560A88.2Confident89.6Confident40 Ų4045.7 Ų45.733%0.33124%0.241SC..Hα-helixtrans-62.3-45.1177.200000111.7A556 L557 K562 N563 L592A556-A560 WeakPolarHBondContact O-CB 3.25Å; A556-A560 PolarHBondContact O-N 3.44Å; L557-A560 WeakPolarHBondContact O-CB 3.3Å; L557-A560 PolarHBondContact O-N 2.96Å; L557-A560 VanDerWaalsContact O-N 3.08Å; A560-K562 PolarHBondContact O-N 3.01Å; A560-N563 PolarHBondContact O-N 3.21Å; A560-L592 HydrophobicContact CB-CD2 4.46Å
561D87.1Confident89.7Confident132 Ų13246.3 Ų46.371%0.70624%0.244SC*.Hα-helixtrans-61.7-24.3177.5-69-16.4000112.7L557 N563L557-D561 PolarHBondContact O-N 3.23Å; D561-N563 VanDerWaalsContact C-N 3.33Å
562K88.5Confident90Very high107 Ų10744.6 Ų44.647%0.46524%0.236SC..THydrogen-bonded Turntrans-92.918177.5-67.2-67.6-175.9-176.10113.6I527 Q558 A559 A560 T564I527-K562 HydrophobicContact CD1-CB 3.66Å; I527-K562 HydrophobicContact CD1-CG 4.1Å; Q558-K562 VanDerWaalsContact O-CG 3.31Å; Q558-K562 WeakPolarHBondContact O-CG 3.32Å; Q558-K562 PolarHBondContact O-N 3.2Å; A559-K562 PolarHBondContact O-N 3.21Å; A560-K562 PolarHBondContact O-N 3.01Å; K562-T564 PolarHBondContact O-N 2.91Å
563N88.4Confident90.1Very high115 Ų11547.3 Ų47.362%0.61525%0.249SC*.THydrogen-bonded Turntrans58.126.7178.9-64.3-36.4000114.4A560 D561 L565 S566 I567A560-N563 PolarHBondContact O-N 3.21Å; D561-N563 VanDerWaalsContact C-N 3.33Å; N563-L565 PolarHBondContact O-N 2.94Å; N563-L565 VanDerWaalsContact O-N 3.1Å; N563-S566 WeakPolarHBondContact O-CB 3.42Å; N563-S566 PolarHBondContact O-N 3.36Å; N563-I567 PolarHBondContact O-N 2.74Å; N563-I567 VanDerWaalsContact O-N 3.11Å
564T91.1Very high90.2Very high0 Ų046.2 Ų46.20%025%0.253CS..Hα-helixtrans-54.9-34.1-178.7-630000112.5I527 L546 A559 K562 I567 T568 V588 L592I527-T564 WeakPolarHBondContact CD1-OG1 3.5Å; L546-T564 HydrophobicContact CD2-CG2 3.48Å; L546-T564 VanDerWaalsContact CD2-CG2 3.48Å; A559-T564 HydrophobicContact CB-CG2 4.4Å; A559-T564 WeakPolarHBondContact O-CB 3.19Å; A559-T564 PolarHBondContact O-N 2.9Å; A559-T564 PolarHBondContact O-OG1 2.94Å; K562-T564 PolarHBondContact O-N 2.91Å; T564-I567 PolarHBondContact O-N 3.05Å; T564-T568 VanDerWaalsContact O-CB 3.26Å; T564-T568 WeakPolarHBondContact O-CB 3.26Å; T564-T568 PolarHBondContact O-N 3.21Å; T564-T568 PolarHBondContact O-OG1 3.38Å; T564-V588 HydrophobicContact CG2-CG1 3.83Å; T564-L592 HydrophobicContact CG2-CD1 4.03Å
565L89.6Confident90.2Very high25 Ų2545.7 Ų45.713%0.13125%0.248CC..Hα-helixtrans-62.9-43.6177.5-177.862.7000112.4N563 T569 I589 L592 L616N563-L565 PolarHBondContact O-N 2.94Å; N563-L565 VanDerWaalsContact O-N 3.1Å; L565-T569 WeakPolarHBondContact O-CB 3.39Å; L565-T569 PolarHBondContact O-N 3.12Å; L565-T569 PolarHBondContact O-OG1 2.63Å; L565-I589 HydrophobicContact CD1-CB 4.31Å; L565-I589 HydrophobicContact CD1-CG1 3.75Å; L565-I589 HydrophobicContact CD1-CG2 4.16Å; L565-L592 HydrophobicContact CB-CD1 4.16Å; L565-L616 HydrophobicContact CD2-CD1 4.45Å; L565-L616 HydrophobicContact CD2-CD2 3.34Å; L565-L616 HydrophobicContact CD2-CG 4.35Å
566S89.5Confident89.8Confident59 Ų5951.9 Ų51.941%0.41328%0.277SS..Hα-helixtrans-65.6-46.8176.9-174.30000110.7N563 T568 T569 Q570N563-S566 WeakPolarHBondContact O-CB 3.42Å; N563-S566 PolarHBondContact O-N 3.36Å; S566-T568 VanDerWaalsContact C-N 3.33Å; S566-T568 PolarHBondContact O-N 3.35Å; S566-T569 PolarHBondContact O-N 2.88Å; S566-Q570 WeakPolarHBondContact O-CB 3.48Å; S566-Q570 WeakPolarHBondContact O-CG 3.48Å; S566-Q570 PolarHBondContact O-N 3.34Å
567I91.5Very high89.7Confident25 Ų2561.3 Ų61.313%0.12832%0.318CS..Hα-helixtrans-57.4-49.1177.8-62.9168.5000109.9I527 L530 N563 T564 T569 Q570 L571I527-I567 HydrophobicContact CG2-CD1 4.07Å; L530-I567 HydrophobicContact CB-CG2 3.87Å; L530-I567 HydrophobicContact CD1-CG2 4.23Å; N563-I567 PolarHBondContact O-N 2.74Å; N563-I567 VanDerWaalsContact O-N 3.11Å; T564-I567 PolarHBondContact O-N 3.05Å; I567-T569 PolarHBondContact O-N 3.14Å; I567-Q570 PolarHBondContact O-N 3.27Å; I567-L571 HydrophobicContact CG2-CD1 3.98Å; I567-L571 HydrophobicContact CG2-CG 4.44Å; I567-L571 WeakPolarHBondContact O-CB 3.36Å; I567-L571 VanDerWaalsContact O-CG 3.28Å; I567-L571 WeakPolarHBondContact O-CG 3.18Å; I567-L571 PolarHBondContact O-N 3.11Å
568T91.4Very high89.7Confident0 Ų059.3 Ų59.30%031%0.308CS..Hα-helixtrans-60.7-45-179.8-58.10000111.9I543 T564 S566 L571 M572 V588 I589I543-T568 HydrophobicContact CD1-CG2 4.28Å; T564-T568 VanDerWaalsContact O-CB 3.26Å; T564-T568 WeakPolarHBondContact O-CB 3.26Å; T564-T568 PolarHBondContact O-N 3.21Å; T564-T568 PolarHBondContact O-OG1 3.38Å; S566-T568 VanDerWaalsContact C-N 3.33Å; S566-T568 PolarHBondContact O-N 3.35Å; T568-L571 PolarHBondContact O-N 2.8Å; T568-M572 HydrophobicContact CG2-SD 4.05Å; T568-M572 WeakPolarHBondContact O-CG 3.34Å; T568-M572 PolarHBondContact O-N 3.41Å; T568-V588 HydrophobicContact CG2-CB 4.27Å; T568-V588 HydrophobicContact CG2-CG1 4.39Å; T568-I589 HydrophobicContact CG2-CG1 4.25Å
569T90.8Very high89.7Confident21 Ų2162.2 Ų62.213%0.12933%0.332CS..Hα-helixtrans-64.2-44.5179.9-52.50000111.1L565 S566 I567 L571 M572 E573 F621L565-T569 WeakPolarHBondContact O-CB 3.39Å; L565-T569 PolarHBondContact O-N 3.12Å; L565-T569 PolarHBondContact O-OG1 2.63Å; S566-T569 PolarHBondContact O-N 2.88Å; I567-T569 PolarHBondContact O-N 3.14Å; T569-L571 VanDerWaalsContact C-N 3.33Å; T569-L571 PolarHBondContact O-N 2.91Å; T569-M572 PolarHBondContact O-N 3.19Å; T569-E573 WeakPolarHBondContact O-CB 3.33Å; T569-E573 WeakPolarHBondContact O-CG 3.46Å; T569-E573 PolarHBondContact O-N 2.99Å; T569-F621 HydrophobicContact CG2-CD2 4.44Å; T569-F621 HydrophobicContact CG2-CE2 3.63Å; T569-F621 HydrophobicContact CG2-CZ 4.16Å
570Q91.6Very high89.6Confident114 Ų11466 Ų6653%0.53335%0.35SS..Hα-helixtrans-62.3-39175.9-72.3173.3-5.800112.3S566 I567 E573 S574S566-Q570 WeakPolarHBondContact O-CB 3.48Å; S566-Q570 WeakPolarHBondContact O-CG 3.48Å; S566-Q570 PolarHBondContact O-N 3.34Å; I567-Q570 PolarHBondContact O-N 3.27Å; Q570-E573 PolarHBondContact O-N 3.09Å; Q570-S574 WeakPolarHBondContact O-CB 3.05Å; Q570-S574 PolarHBondContact O-N 3.41Å; Q570-S574 PolarHBondContact O-OG 3.04Å
571L91.3Very high89.7Confident16 Ų1664.1 Ų64.18%0.08433%0.334CS..Hα-helixtrans-64-42.7174.9-73.7174.1000111.8L530 I539 I567 T568 T569 S574 N575 I581L530-L571 HydrophobicContact CB-CD1 4.08Å; L530-L571 HydrophobicContact CD2-CD1 4.11Å; I539-L571 HydrophobicContact CD1-CD2 3.92Å; I539-L571 HydrophobicContact CG2-CD1 3.71Å; I539-L571 HydrophobicContact CG2-CD2 3.84Å; I539-L571 HydrophobicContact CG2-CG 4.32Å; I567-L571 HydrophobicContact CG2-CD1 3.98Å; I567-L571 HydrophobicContact CG2-CG 4.44Å; I567-L571 WeakPolarHBondContact O-CB 3.36Å; I567-L571 VanDerWaalsContact O-CG 3.28Å; I567-L571 WeakPolarHBondContact O-CG 3.18Å; I567-L571 PolarHBondContact O-N 3.11Å; T568-L571 PolarHBondContact O-N 2.8Å; T569-L571 VanDerWaalsContact C-N 3.33Å; T569-L571 PolarHBondContact O-N 2.91Å; L571-S574 WeakPolarHBondContact CA-OG 3.3Å; L571-S574 PolarHBondContact O-OG 3.34Å; L571-S574 VanDerWaalsContact O-OG 3.11Å; L571-N575 VanDerWaalsContact O-CB 3.27Å; L571-N575 WeakPolarHBondContact O-CB 3.47Å; L571-N575 PolarHBondContact O-N 3.13Å; L571-N575 PolarHBondContact O-ND2 2.72Å; L571-I581 HydrophobicContact CB-CG2 4.36Å
572M91.7Very high89.8Confident7 Ų762.3 Ų62.33%0.03432%0.32CS..Hα-helixtrans-65.5-42.4176-69.2173.468.200111.8T568 T569 N575 Q576 I581 F582 I589T568-M572 HydrophobicContact CG2-SD 4.05Å; T568-M572 WeakPolarHBondContact O-CG 3.34Å; T568-M572 PolarHBondContact O-N 3.41Å; T569-M572 PolarHBondContact O-N 3.19Å; M572-N575 CarbonylContact O-C 3.35Å; M572-N575 PolarHBondContact O-N 3.39Å; M572-Q576 PolarHBondContact O-N 3.31Å; M572-I581 HydrophobicContact CG-CG2 4.31Å; M572-F582 HydrophobicContact CE-CD1 4.44Å; M572-F582 HydrophobicContact CE-CD2 3.57Å; M572-F582 HydrophobicContact CE-CE1 4.44Å; M572-F582 HydrophobicContact CE-CE2 3.57Å; M572-F582 HydrophobicContact CE-CG 4.02Å; M572-F582 HydrophobicContact CE-CZ 4.03Å; M572-I589 HydrophobicContact CE-CD1 4.46Å; M572-I589 HydrophobicContact SD-CD1 3.8Å
573E90.6Very high89.9Confident82 Ų8261.3 Ų61.338%0.38332%0.323SS..Hα-helixtrans-65.3-38.1177.5-74.7-179.1165.900112.8T569 Q570 N575 Q576 F621T569-E573 WeakPolarHBondContact O-CB 3.33Å; T569-E573 WeakPolarHBondContact O-CG 3.46Å; T569-E573 PolarHBondContact O-N 2.99Å; Q570-E573 PolarHBondContact O-N 3.09Å; E573-N575 VanDerWaalsContact C-N 3.34Å; E573-Q576 WeakPolarHBondContact O-CG 3.21Å; E573-Q576 PolarHBondContact O-NE2 2.82Å; E573-F621 HydrophobicContact CG-CZ 3.96Å
574S89.4Confident90Very high84 Ų8457 Ų5759%0.58730%0.3SS*.Hα-helixtrans-79.4-15.5177.154.90000113.5Q570 L571Q570-S574 WeakPolarHBondContact O-CB 3.05Å; Q570-S574 PolarHBondContact O-N 3.41Å; Q570-S574 PolarHBondContact O-OG 3.04Å; L571-S574 WeakPolarHBondContact CA-OG 3.3Å; L571-S574 PolarHBondContact O-OG 3.34Å; L571-S574 VanDerWaalsContact O-OG 3.11Å
575N89Confident90Very high31 Ų3157 Ų5717%0.16630%0.3CS..THydrogen-bonded Turntrans-128.146.5-177.7-63.2-92.6000112.4K536 L571 M572 E573 F577 D578 I581K536-N575 VanDerWaalsContact CE-OD1 3.24Å; K536-N575 WeakPolarHBondContact CE-OD1 3.38Å; K536-N575 PolarHBondContact NZ-OD1 3.42Å; L571-N575 VanDerWaalsContact O-CB 3.27Å; L571-N575 WeakPolarHBondContact O-CB 3.47Å; L571-N575 PolarHBondContact O-N 3.13Å; L571-N575 PolarHBondContact O-ND2 2.72Å; M572-N575 CarbonylContact O-C 3.35Å; M572-N575 PolarHBondContact O-N 3.39Å; E573-N575 VanDerWaalsContact C-N 3.34Å; N575-F577 PolarHBondContact O-N 3.3Å; N575-D578 HydrophobicContact CB-CB 4.01Å; N575-D578 PolarHBondContact O-N 3.49Å; N575-I581 HydrophobicContact CB-CB 4.48Å; N575-I581 HydrophobicContact CB-CD1 3.68Å; N575-I581 HydrophobicContact CB-CG2 4.31Å
576Q83.8Confident90Very high133 Ų13357.8 Ų57.862%0.62131%0.307SS*.THydrogen-bonded Turntrans-55.8-26.2-172-56.6-175.3-7.700114.9M572 E573M572-Q576 PolarHBondContact O-N 3.31Å; E573-Q576 WeakPolarHBondContact O-CG 3.21Å; E573-Q576 PolarHBondContact O-NE2 2.82Å
577F87.5Confident89.9Confident197 Ų19758.5 Ų58.586%0.86431%0.305SS*.THydrogen-bonded Turntrans-99.41.9-179.1-55.2-68.9000113.8N575 C579N575-F577 PolarHBondContact O-N 3.3Å; F577-C579 PolarHBondContact O-N 3.09Å
578D90.2Very high89.8Confident19 Ų1957.3 Ų57.310%0.10230%0.299CS..  trans-9198177-163.1-59.7000110.3K536 K540 N575 E580 I581 F582K536-D578 WeakPolarHBondContact CE-OD2 3.47Å; K536-D578 IonicContact NZ-OD2 2.78Å; K536-D578 PolarHBondContact NZ-OD2 2.86Å; K540-D578 WeakPolarHBondContact CE-OD2 3.38Å; K540-D578 IonicContact NZ-OD2 2.99Å; N575-D578 HydrophobicContact CB-CB 4.01Å; N575-D578 PolarHBondContact O-N 3.49Å; D578-E580 PolarHBondContact O-N 3.25Å; D578-E580 VanDerWaalsContact O-N 3.16Å; D578-E580 WeakPolarHBondContact OD1-CB 3.4Å; D578-E580 PolarHBondContact OD1-N 3.03Å; D578-I581 HydrophobicContact CB-CB 4.13Å; D578-I581 HydrophobicContact CB-CD1 4.01Å; D578-I581 HydrophobicContact CB-CG1 4.18Å; D578-I581 PolarHBondContact O-N 3.2Å; D578-I581 PolarHBondContact OD1-N 3.12Å; D578-I581 VanDerWaalsContact OD1-N 3.15Å; D578-F582 WeakPolarHBondContact O-CB 3.48Å; D578-F582 PolarHBondContact O-N 3.29Å
579C90.2Very high89.6Confident100 Ų10058.1 Ų58.168%0.67630%0.303SS*.Hα-helixtrans-56-33-177.5-63.50000113.1F577 T583F577-C579 PolarHBondContact O-N 3.09Å; C579-T583 WeakPolarHBondContact O-CB 3.42Å; C579-T583 PolarHBondContact O-N 3.4Å; C579-T583 PolarHBondContact O-OG1 3.07Å
580E90.3Very high89.3Confident80 Ų8061.4 Ų61.437%0.37432%0.323SS..Hα-helixtrans-72.3-45.1-178.5-172.2177.4-178.400111K540 D578 F582 N584K540-E580 WeakPolarHBondContact CD-OE2 3.22Å; D578-E580 PolarHBondContact O-N 3.25Å; D578-E580 VanDerWaalsContact O-N 3.16Å; D578-E580 WeakPolarHBondContact OD1-CB 3.4Å; D578-E580 PolarHBondContact OD1-N 3.03Å; E580-F582 VanDerWaalsContact C-N 3.35Å; E580-N584 WeakPolarHBondContact CG-ND2 3.46Å; E580-N584 VanDerWaalsContact O-CB 3.31Å; E580-N584 WeakPolarHBondContact O-CB 3.46Å; E580-N584 PolarHBondContact O-N 2.73Å; E580-N584 PolarHBondContact O-ND2 3.17Å
581I90.2Very high89Confident0 Ų056.5 Ų56.50%030%0.301CS..Hα-helixtrans-63.2-44.6175-65.3174.8000109.9I539 K540 I543 L571 M572 N575 D578 G585I539-I581 HydrophobicContact CG2-CD1 4.33Å; K540-I581 HydrophobicContact CG-CD1 4.34Å; K540-I581 HydrophobicContact CG-CG1 4Å; I543-I581 HydrophobicContact CD1-CG2 4.07Å; L571-I581 HydrophobicContact CB-CG2 4.36Å; M572-I581 HydrophobicContact CG-CG2 4.31Å; N575-I581 HydrophobicContact CB-CB 4.48Å; N575-I581 HydrophobicContact CB-CD1 3.68Å; N575-I581 HydrophobicContact CB-CG2 4.31Å; D578-I581 HydrophobicContact CB-CB 4.13Å; D578-I581 HydrophobicContact CB-CD1 4.01Å; D578-I581 HydrophobicContact CB-CG1 4.18Å; D578-I581 PolarHBondContact O-N 3.2Å; D578-I581 PolarHBondContact OD1-N 3.12Å; D578-I581 VanDerWaalsContact OD1-N 3.15Å; I581-G585 WeakPolarHBondContact O-CA 3.17Å; I581-G585 PolarHBondContact O-N 3.39Å
582F89.8Confident88.7Confident94 Ų9456.3 Ų56.341%0.41230%0.3SS..Hα-helixtrans-65.4-45.5-178-164.2-90000112.4M572 D578 E580 S586M572-F582 HydrophobicContact CE-CD1 4.44Å; M572-F582 HydrophobicContact CE-CD2 3.57Å; M572-F582 HydrophobicContact CE-CE1 4.44Å; M572-F582 HydrophobicContact CE-CE2 3.57Å; M572-F582 HydrophobicContact CE-CG 4.02Å; M572-F582 HydrophobicContact CE-CZ 4.03Å; D578-F582 WeakPolarHBondContact O-CB 3.48Å; D578-F582 PolarHBondContact O-N 3.29Å; E580-F582 VanDerWaalsContact C-N 3.35Å; F582-S586 WeakPolarHBondContact O-CB 3.47Å; F582-S586 PolarHBondContact O-N 2.95Å; F582-S586 PolarHBondContact O-OG 3.03Å
583T89Confident88Confident86 Ų8657 Ų5753%0.52830%0.304SS..Hα-helixtrans-65.6-50-179.9-56.10000111.2C579 S586 M587C579-T583 WeakPolarHBondContact O-CB 3.42Å; C579-T583 PolarHBondContact O-N 3.4Å; C579-T583 PolarHBondContact O-OG1 3.07Å; T583-S586 PolarHBondContact O-N 3Å; T583-M587 PolarHBondContact O-N 3.16Å
584N91.2Very high87Confident24 Ų2457.2 Ų57.213%0.12830%0.301CS..Hα-helixtrans-72.7-34-178.5-70.8-67.1000112.3I543 S544 W547 E580 S586 M587 V588I543-N584 HydrophobicContact CB-CB 4.39Å; I543-N584 HydrophobicContact CG1-CB 4.05Å; I543-N584 HydrophobicContact CG2-CB 3.9Å; S544-N584 WeakPolarHBondContact CA-OD1 3.39Å; W547-N584 PolarHBondContact NE1-OD1 3.27Å; E580-N584 WeakPolarHBondContact CG-ND2 3.46Å; E580-N584 VanDerWaalsContact O-CB 3.31Å; E580-N584 WeakPolarHBondContact O-CB 3.46Å; E580-N584 PolarHBondContact O-N 2.73Å; E580-N584 PolarHBondContact O-ND2 3.17Å; N584-S586 VanDerWaalsContact C-N 3.33Å; N584-M587 WeakPolarHBondContact O-CB 3.3Å; N584-M587 PolarHBondContact O-N 3.16Å; N584-M587 VanDerWaalsContact O-N 3.16Å; N584-V588 WeakPolarHBondContact O-CG2 3.49Å; N584-V588 PolarHBondContact O-N 3.04Å
585G91.2Very high85.6Confident0 Ų054 Ų540%028%0.277CS..Hα-helixtrans-62.1-41.9174.100000112I581 M587 V588 I589I581-G585 WeakPolarHBondContact O-CA 3.17Å; I581-G585 PolarHBondContact O-N 3.39Å; G585-M587 VanDerWaalsContact C-N 3.29Å; G585-M587 PolarHBondContact O-N 3.19Å; G585-V588 PolarHBondContact O-N 2.99Å; G585-V588 VanDerWaalsContact O-N 3.16Å; G585-I589 VanDerWaalsContact O-CG1 3.32Å; G585-I589 WeakPolarHBondContact O-CG1 3.34Å; G585-I589 PolarHBondContact O-N 3.41Å
586S89.2Confident83.8Confident42 Ų4258.6 Ų58.629%0.29429%0.292SS..Hα-helixtrans-58.4-41.7172.2-58.40000111.8F582 T583 N584 I589 V590F582-S586 WeakPolarHBondContact O-CB 3.47Å; F582-S586 PolarHBondContact O-N 2.95Å; F582-S586 PolarHBondContact O-OG 3.03Å; T583-S586 PolarHBondContact O-N 3Å; N584-S586 VanDerWaalsContact C-N 3.33Å; S586-I589 PolarHBondContact O-N 3.46Å; S586-V590 WeakPolarHBondContact O-CG2 3.23Å; S586-V590 PolarHBondContact O-N 3.26Å
587M88.4Confident82.3Confident73 Ų7353.7 Ų53.736%0.3627%0.272SS..Hα-helixtrans-65.7-38.6176-67-59.6-64.600112.9W547 T583 N584 G585 V590 S591W547-M587 HydrophobicContact CB-CB 3.84Å; W547-M587 HydrophobicContact CD2-CB 3.76Å; W547-M587 HydrophobicContact CD2-CE 4.33Å; W547-M587 HydrophobicContact CD2-CG 4.35Å; W547-M587 HydrophobicContact CE3-CB 4.31Å; W547-M587 HydrophobicContact CE3-CE 3.84Å; W547-M587 HydrophobicContact CG-CB 3.54Å; W547-M587 HydrophobicContact CH2-CE 4.27Å; W547-M587 HydrophobicContact CZ3-CE 3.82Å; T583-M587 PolarHBondContact O-N 3.16Å; N584-M587 WeakPolarHBondContact O-CB 3.3Å; N584-M587 PolarHBondContact O-N 3.16Å; N584-M587 VanDerWaalsContact O-N 3.16Å; G585-M587 VanDerWaalsContact C-N 3.29Å; G585-M587 PolarHBondContact O-N 3.19Å; M587-V590 PolarHBondContact O-N 2.99Å; M587-S591 WeakPolarHBondContact O-CB 3.27Å; M587-S591 PolarHBondContact O-N 3.1Å; M587-S591 PolarHBondContact O-OG 2.71Å
588V88.9Confident80.2Confident0 Ų048.9 Ų48.90%026%0.255CS..Hα-helixtrans-61.5-47173.6172.90000110.2I543 L546 W547 T564 T568 N584 G585 V590 S591 L592I543-V588 HydrophobicContact CG1-CG2 4.19Å; L546-V588 HydrophobicContact CB-CG2 4.22Å; L546-V588 HydrophobicContact CD2-CG1 4.3Å; L546-V588 HydrophobicContact CD2-CG2 4.33Å; L546-V588 HydrophobicContact CG-CG2 4.32Å; W547-V588 HydrophobicContact CB-CB 4.44Å; W547-V588 HydrophobicContact CB-CG2 3.77Å; T564-V588 HydrophobicContact CG2-CG1 3.83Å; T568-V588 HydrophobicContact CG2-CB 4.27Å; T568-V588 HydrophobicContact CG2-CG1 4.39Å; N584-V588 WeakPolarHBondContact O-CG2 3.49Å; N584-V588 PolarHBondContact O-N 3.04Å; G585-V588 PolarHBondContact O-N 2.99Å; G585-V588 VanDerWaalsContact O-N 3.16Å; V588-V590 VanDerWaalsContact C-N 3.34Å; V588-V590 PolarHBondContact O-N 3.46Å; V588-S591 PolarHBondContact O-N 3.12Å; V588-L592 HydrophobicContact CG1-CD1 3.89Å; V588-L592 HydrophobicContact CG1-CG 4.34Å; V588-L592 VanDerWaalsContact O-CG 3.31Å; V588-L592 WeakPolarHBondContact O-CG 3.19Å; V588-L592 PolarHBondContact O-N 3.11Å
589I87.8Confident77.9Confident17 Ų1751 Ų519%0.08727%0.265CS..Hα-helixtrans-57.2-48.8178-66.4166.6000110.3L565 T568 M572 G585 S586 S591 L592 L593 L618L565-I589 HydrophobicContact CD1-CB 4.31Å; L565-I589 HydrophobicContact CD1-CG1 3.75Å; L565-I589 HydrophobicContact CD1-CG2 4.16Å; T568-I589 HydrophobicContact CG2-CG1 4.25Å; M572-I589 HydrophobicContact CE-CD1 4.46Å; M572-I589 HydrophobicContact SD-CD1 3.8Å; G585-I589 VanDerWaalsContact O-CG1 3.32Å; G585-I589 WeakPolarHBondContact O-CG1 3.34Å; G585-I589 PolarHBondContact O-N 3.41Å; S586-I589 PolarHBondContact O-N 3.46Å; I589-S591 PolarHBondContact O-N 2.8Å; I589-L592 PolarHBondContact O-N 3.38Å; I589-L593 HydrophobicContact CG2-CD1 3.68Å; I589-L593 HydrophobicContact CG2-CG 4.13Å; I589-L593 WeakPolarHBondContact O-CB 3.5Å; I589-L593 VanDerWaalsContact O-CG 3.31Å; I589-L593 WeakPolarHBondContact O-CG 3.42Å; I589-L593 PolarHBondContact O-N 3.5Å; I589-L618 HydrophobicContact CG2-CD1 4.46Å; I589-L618 HydrophobicContact CG2-CD2 4.48Å
590V84.9Confident75.4Confident90 Ų9052.1 Ų52.155%0.54526%0.256SS..Hα-helixtrans-60-46.1178.4171.20000111.5S586 M587 V588 L592 L593 R594S586-V590 WeakPolarHBondContact O-CG2 3.23Å; S586-V590 PolarHBondContact O-N 3.26Å; M587-V590 PolarHBondContact O-N 2.99Å; V588-V590 VanDerWaalsContact C-N 3.34Å; V588-V590 PolarHBondContact O-N 3.46Å; V590-L592 VanDerWaalsContact C-N 3.3Å; V590-L592 PolarHBondContact O-N 2.74Å; V590-L593 PolarHBondContact O-N 3.49Å; V590-R594 PolarHBondContact O-N 3.02Å; V590-R594 VanDerWaalsContact O-N 3.13Å
591S84Confident72.9Confident12 Ų1255.4 Ų55.48%0.08427%0.266CS..Hα-helixtrans-60.6-38178.3-68.20000112.6W547 M587 V588 I589W547-S591 PolarHBondContact O-OG 3.37Å; M587-S591 WeakPolarHBondContact O-CB 3.27Å; M587-S591 PolarHBondContact O-N 3.1Å; M587-S591 PolarHBondContact O-OG 2.71Å; V588-S591 PolarHBondContact O-N 3.12Å; I589-S591 PolarHBondContact O-N 2.8Å
592L84.6Confident70.7Confident12 Ų1261 Ų616%0.06330%0.3CS..Hα-helixtrans-76.5-38.7178.3-64.4176.7000112.8A556 A559 A560 T564 L565 V588 I589 V590 R594 I595A556-L592 HydrophobicContact CB-CD2 4.08Å; A556-L592 WeakPolarHBondContact O-CD2 3.36Å; A559-L592 HydrophobicContact CB-CD2 3.92Å; A560-L592 HydrophobicContact CB-CD2 4.46Å; T564-L592 HydrophobicContact CG2-CD1 4.03Å; L565-L592 HydrophobicContact CB-CD1 4.16Å; V588-L592 HydrophobicContact CG1-CD1 3.89Å; V588-L592 HydrophobicContact CG1-CG 4.34Å; V588-L592 VanDerWaalsContact O-CG 3.31Å; V588-L592 WeakPolarHBondContact O-CG 3.19Å; V588-L592 PolarHBondContact O-N 3.11Å; I589-L592 PolarHBondContact O-N 3.38Å; V590-L592 VanDerWaalsContact C-N 3.3Å; V590-L592 PolarHBondContact O-N 2.74Å; L592-R594 VanDerWaalsContact C-N 3.34Å; L592-R594 PolarHBondContact O-N 3.2Å; L592-I595 PolarHBondContact O-N 3.34Å
593L78.3Confident68.2Low20 Ų2066.2 Ų66.211%0.10532%0.317CS..Hα-helixtrans-66-35.5179.6-76178.2000112.5I589 V590 I595 R596 V597 I612 L616 L618I589-L593 HydrophobicContact CG2-CD1 3.68Å; I589-L593 HydrophobicContact CG2-CG 4.13Å; I589-L593 WeakPolarHBondContact O-CB 3.5Å; I589-L593 VanDerWaalsContact O-CG 3.31Å; I589-L593 WeakPolarHBondContact O-CG 3.42Å; I589-L593 PolarHBondContact O-N 3.5Å; V590-L593 PolarHBondContact O-N 3.49Å; L593-I595 PolarHBondContact O-N 3.26Å; L593-I595 VanDerWaalsContact O-N 3.11Å; L593-R596 PolarHBondContact O-N 3.07Å; L593-V597 WeakPolarHBondContact O-CG2 3.34Å; L593-V597 PolarHBondContact O-N 3.2Å; L593-I612 HydrophobicContact CD2-CG2 3.95Å; L593-L616 HydrophobicContact CD2-CD1 3.47Å; L593-L616 VanDerWaalsContact CD2-CD1 3.47Å; L593-L618 HydrophobicContact CD1-CD1 4.19Å; L593-L618 HydrophobicContact CD2-CD1 4.12Å
594R68.5Low65.9Low88 Ų8865.6 Ų65.633%0.33231%0.31SS..Hα-helixtrans-51.6-35.8175.3-174.8-179.3175.4-154.20.1112.2V590 L592 N598V590-R594 PolarHBondContact O-N 3.02Å; V590-R594 VanDerWaalsContact O-N 3.13Å; L592-R594 VanDerWaalsContact C-N 3.34Å; L592-R594 PolarHBondContact O-N 3.2Å; R594-N598 PolarHBondContact O-N 2.92Å
595I61.1Low63.4Low16 Ų1675.9 Ų75.98%0.08235%0.347CS..Hα-helixtrans-74.8-44.1178.3-62.4-172.1000111.5E553 A556 L557 L592 L593 V597 N598 I599E553-I595 HydrophobicContact CB-CD1 4.43Å; E553-I595 HydrophobicContact CG-CD1 4.22Å; A556-I595 HydrophobicContact CB-CD1 3.2Å; A556-I595 HydrophobicContact CB-CG1 4.35Å; L557-I595 HydrophobicContact CD2-CG2 3.61Å; L557-I595 HydrophobicContact CG-CD1 4.34Å; L557-I595 HydrophobicContact CG-CG2 4.19Å; L592-I595 PolarHBondContact O-N 3.34Å; L593-I595 PolarHBondContact O-N 3.26Å; L593-I595 VanDerWaalsContact O-N 3.11Å; I595-V597 VanDerWaalsContact C-N 3.32Å; I595-V597 PolarHBondContact O-N 2.7Å; I595-N598 PolarHBondContact O-N 2.87Å; I595-I599 HydrophobicContact CG2-CD1 3.67Å; I595-I599 HydrophobicContact CG2-CG1 4.23Å; I595-I599 WeakPolarHBondContact O-CG1 3.23Å; I595-I599 PolarHBondContact O-N 3.25Å
596R50.9Low61.2Low127 Ų12779.3 Ų79.348%0.47938%0.382SS..Hα-helixtrans-63.7-37.2179.7-79.2-165.5175.1-158.72.8112.3L593 I599 Y600L593-R596 PolarHBondContact O-N 3.07Å; R596-I599 PolarHBondContact O-N 3.24Å; R596-Y600 WeakPolarHBondContact O-CB 3.29Å; R596-Y600 PolarHBondContact O-N 3.33Å
597V51.5Low58.7Low31 Ų3181.9 Ų81.919%0.18840%0.396CS..Hα-helixtrans-62.1-44.9174.4177.70000110.7L593 I595 Y600 Y601 L610 I612 L628L593-V597 WeakPolarHBondContact O-CG2 3.34Å; L593-V597 PolarHBondContact O-N 3.2Å; I595-V597 VanDerWaalsContact C-N 3.32Å; I595-V597 PolarHBondContact O-N 2.7Å; V597-Y600 PolarHBondContact O-N 3.08Å; V597-Y601 WeakPolarHBondContact O-CB 3.39Å; V597-Y601 PolarHBondContact O-N 3.4Å; V597-L610 HydrophobicContact CG2-CD2 4.48Å; V597-I612 HydrophobicContact CG2-CD1 3.75Å; V597-L628 HydrophobicContact CG2-CD1 4.03Å
598N44.1Very low56.3Low95 Ų9587 Ų8751%0.50842%0.419SS..Hα-helixtrans-62.8-44175.7-87.8-19.9000112.8R594 I595 Y600 Y601 V602R594-N598 PolarHBondContact O-N 2.92Å; I595-N598 PolarHBondContact O-N 2.87Å; N598-Y600 PolarHBondContact O-N 3.22Å; N598-Y601 PolarHBondContact O-N 3.06Å; N598-V602 VanDerWaalsContact O-CG2 3.27Å; N598-V602 WeakPolarHBondContact O-CG2 3.47Å; N598-V602 PolarHBondContact O-N 3.05Å
599I41.2Very low53.8Low63 Ų6394.7 Ų94.732%0.32346%0.455SS..Hα-helixtrans-63.9-41.8178.4-66.3170.7000111.1L557 I595 R596 V602 R603L557-I599 HydrophobicContact CD2-CD1 4.04Å; I595-I599 HydrophobicContact CG2-CD1 3.67Å; I595-I599 HydrophobicContact CG2-CG1 4.23Å; I595-I599 WeakPolarHBondContact O-CG1 3.23Å; I595-I599 PolarHBondContact O-N 3.25Å; R596-I599 PolarHBondContact O-N 3.24Å; I599-V602 PolarHBondContact O-N 3.28Å; I599-R603 WeakPolarHBondContact O-CG 3.21Å; I599-R603 PolarHBondContact O-N 3.23Å
600Y38.1Very low51.4Low124 Ų12498 Ų9849%0.48647%0.473SS..Hα-helixtrans-69.1-38.7179.1-121.6-87.9000112.1R596 V597 N598 V602 R603 N604R596-Y600 WeakPolarHBondContact O-CB 3.29Å; R596-Y600 PolarHBondContact O-N 3.33Å; V597-Y600 PolarHBondContact O-N 3.08Å; N598-Y600 PolarHBondContact O-N 3.22Å; Y600-V602 VanDerWaalsContact C-N 3.33Å; Y600-V602 PolarHBondContact O-N 2.8Å; Y600-R603 PolarHBondContact O-N 2.86Å; Y600-N604 WeakPolarHBondContact CD1-ND2 2.98Å; Y600-N604 VanDerWaalsContact CE1-ND2 3.31Å; Y600-N604 WeakPolarHBondContact CE1-ND2 3.1Å; Y600-N604 WeakPolarHBondContact O-CB 3.11Å; Y600-N604 PolarHBondContact O-N 3.07Å
601Y38.6Very low49.2Very low150 Ų150100.2 Ų100.259%0.58848%0.477SS*.Hα-helixtrans-65.5-36.2176.2-139.4-83.8000112.2V597 N598V597-Y601 WeakPolarHBondContact O-CB 3.39Å; V597-Y601 PolarHBondContact O-N 3.4Å; N598-Y601 PolarHBondContact O-N 3.06Å
602V44.1Very low47.1Very low116 Ų116101.6 Ų101.670%0.70348%0.483SS*.Hα-helixtrans-71.7-37.8176.1172.60000111.7N598 I599 Y600N598-V602 VanDerWaalsContact O-CG2 3.27Å; N598-V602 WeakPolarHBondContact O-CG2 3.47Å; N598-V602 PolarHBondContact O-N 3.05Å; I599-V602 PolarHBondContact O-N 3.28Å; Y600-V602 VanDerWaalsContact C-N 3.33Å; Y600-V602 PolarHBondContact O-N 2.8Å
603R37.2Very low44.8Very low204 Ų204103.1 Ų103.177%0.7749%0.494SS*.Hα-helixtrans-75.7-36.3178.5-75.7-175.3176.1-176.3-0.5113.4I599 Y600I599-R603 WeakPolarHBondContact O-CG 3.21Å; I599-R603 PolarHBondContact O-N 3.23Å; Y600-R603 PolarHBondContact O-N 2.86Å
604N39.6Very low42.9Very low73 Ų73106 Ų10639%0.3952%0.516SS..  trans-109.166.8-176.9-70.6-11.7000111.5Y600 G606Y600-N604 WeakPolarHBondContact CD1-ND2 2.98Å; Y600-N604 VanDerWaalsContact CE1-ND2 3.31Å; Y600-N604 WeakPolarHBondContact CE1-ND2 3.1Å; Y600-N604 WeakPolarHBondContact O-CB 3.11Å; Y600-N604 PolarHBondContact O-N 3.07Å; N604-G606 PolarHBondContact O-N 3.27Å
605R40.1Very low41.6Very low241 Ų241107.3 Ų107.391%0.90953%0.53SS*.THydrogen-bonded Turntrans-64.284.3156-75.5-171.6178.1-174.60.3108.3
606G43.7Very low40.7Very low71 Ų71108.1 Ų108.173%0.73253%0.534SS*.THydrogen-bonded Turntrans159.1-11.9171.200000118.8N604N604-G606 PolarHBondContact O-N 3.27Å
607T36.5Very low40.2Very low96 Ų96104.7 Ų104.759%0.58954%0.538SS*.  trans-133.2113.2-176.1540000112.2Q609T607-Q609 VanDerWaalsContact C-N 3.25Å; T607-Q609 PolarHBondContact O-N 2.98Å
608H38.6Very low39.8Very low182 Ų182103.3 Ų103.384%0.84353%0.529SS*.  trans-78.119.8-176.3-80.6-54000115.8
609Q36.2Very low39.7Very low161 Ų161102.4 Ų102.475%0.75253%0.531SS*.  trans-116.7106.7177.2-78.4-178.3-19.600111.4T607T607-Q609 VanDerWaalsContact C-N 3.25Å; T607-Q609 PolarHBondContact O-N 2.98Å
610L36.8Very low40Very low86 Ų86107.5 Ų107.545%0.4555%0.551SS.*  trans-89.4103174.7-104.6139.4000109.6V597 I612V597-L610 HydrophobicContact CG2-CD2 4.48Å; L610-I612 HydrophobicContact CD2-CD1 3.74Å; L610-I612 HydrophobicContact CD2-CG1 3.53Å; L610-I612 PolarHBondContact O-N 2.99Å
611H38.7Very low40.2Very low137 Ų137105.3 Ų105.363%0.63454%0.544SS*.  trans-94.978.8168.1-80.6-72.9000110.2S613H611-S613 VanDerWaalsContact C-N 3.32Å
612I41.7Very low40.1Very low41 Ų41101 Ų10121%0.2153%0.53CS..  trans-74-24.2177.4-59.7175.4000111.7L593 V597 L610 L616 L628L593-I612 HydrophobicContact CD2-CG2 3.95Å; V597-I612 HydrophobicContact CG2-CD1 3.75Å; L610-I612 HydrophobicContact CD2-CD1 3.74Å; L610-I612 HydrophobicContact CD2-CG1 3.53Å; L610-I612 PolarHBondContact O-N 2.99Å; I612-L616 HydrophobicContact CG2-CD1 3.88Å; I612-L628 HydrophobicContact CD1-CD1 3.8Å
613S36.4Very low39.5Very low43 Ų4399.8 Ų99.830%0.30153%0.525SS..SBendtrans-77.5-32-164.257.60000115.7H611H611-S613 VanDerWaalsContact C-N 3.32Å
614S38.3Very low39.4Very low82 Ų8296.3 Ų96.357%0.57353%0.527SS*.SBendtrans-79.9-41.9-174.153.40000113.3L616S614-L616 PolarHBondContact O-N 3.4Å
615D39.4Very low39Very low115 Ų115100.1 Ų100.162%0.61555%0.547SS*.THydrogen-bonded Turntrans-77.7-10.4-171.9-71.2-0.3000113.7
616L42.3Very low38.5Very low33 Ų3393.2 Ų93.217%0.17353%0.527CS..THydrogen-bonded Turntrans-115.9-3.6-172.7-76.8174.5000114.4L565 L593 I612 S614 L618L565-L616 HydrophobicContact CD2-CD1 4.45Å; L565-L616 HydrophobicContact CD2-CD2 3.34Å; L565-L616 HydrophobicContact CD2-CG 4.35Å; L593-L616 HydrophobicContact CD2-CD1 3.47Å; L593-L616 VanDerWaalsContact CD2-CD1 3.47Å; I612-L616 HydrophobicContact CG2-CD1 3.88Å; S614-L616 PolarHBondContact O-N 3.4Å; L616-L618 HydrophobicContact CB-CB 4.34Å; L616-L618 HydrophobicContact CB-CD1 3.76Å; L616-L618 HydrophobicContact CB-CG 3.9Å; L616-L618 HydrophobicContact CD1-CD1 3.9Å; L616-L618 HydrophobicContact CG-CD1 4.43Å; L616-L618 PolarHBondContact O-N 2.84Å; L616-L618 VanDerWaalsContact O-N 3.08Å
617G40.9Very low37.7Very low54 Ų5494.8 Ų94.856%0.55753%0.527SS*.SBendtrans63.79.3-174.100000114.4S619G617-S619 PolarHBondContact O-N 3.07Å
618L42.7Very low37.4Very low2 Ų295.7 Ų95.71%0.0153%0.527CS..G310 helixtrans-800.6-177-72169.8000113.6I589 L593 L616 K620 F621 L622I589-L618 HydrophobicContact CG2-CD1 4.46Å; I589-L618 HydrophobicContact CG2-CD2 4.48Å; L593-L618 HydrophobicContact CD1-CD1 4.19Å; L593-L618 HydrophobicContact CD2-CD1 4.12Å; L616-L618 HydrophobicContact CB-CB 4.34Å; L616-L618 HydrophobicContact CB-CD1 3.76Å; L616-L618 HydrophobicContact CB-CG 3.9Å; L616-L618 HydrophobicContact CD1-CD1 3.9Å; L616-L618 HydrophobicContact CG-CD1 4.43Å; L616-L618 PolarHBondContact O-N 2.84Å; L616-L618 VanDerWaalsContact O-N 3.08Å; L618-K620 PolarHBondContact O-N 2.97Å; L618-F621 HydrophobicContact CD2-CD2 4.39Å; L618-F621 PolarHBondContact O-N 3.3Å; L618-L622 HydrophobicContact CB-CD1 3.96Å; L618-L622 HydrophobicContact CB-CG 4.47Å; L618-L622 HydrophobicContact CD1-CD1 4.26Å; L618-L622 PolarHBondContact O-N 3.39Å; L618-L622 VanDerWaalsContact O-N 3.15Å
619S43.7Very low36.8Very low76 Ų7697.5 Ų97.553%0.53154%0.543SS..G310 helixtrans-55.7-22.3-179.760.20000113.9G617G617-S619 PolarHBondContact O-N 3.07Å
620K45.8Very low36.8Very low171 Ų17194.3 Ų94.374%0.74353%0.533SS*.G310 helixtrans-78-22.1174.8-64.6-176.6-177.8175.70114.5L618L618-K620 PolarHBondContact O-N 2.97Å
621F42.2Very low36.8Very low78 Ų7894.7 Ų94.734%0.34254%0.537SS..THydrogen-bonded Turntrans-110.8-20.5-171.1-64-76.8000113.8T569 E573 L618T569-F621 HydrophobicContact CG2-CD2 4.44Å; T569-F621 HydrophobicContact CG2-CE2 3.63Å; T569-F621 HydrophobicContact CG2-CZ 4.16Å; E573-F621 HydrophobicContact CG-CZ 3.96Å; L618-F621 HydrophobicContact CD2-CD2 4.39Å; L618-F621 PolarHBondContact O-N 3.3Å
622L37.7Very low36.7Very low58 Ų5892.4 Ų92.430%0.30453%0.532SS..SBendtrans-108.3129.4-179.4-64.1170.5000109.8L618 T624 I626L618-L622 HydrophobicContact CB-CD1 3.96Å; L618-L622 HydrophobicContact CB-CG 4.47Å; L618-L622 HydrophobicContact CD1-CD1 4.26Å; L618-L622 PolarHBondContact O-N 3.39Å; L618-L622 VanDerWaalsContact O-N 3.15Å; L622-T624 PolarHBondContact O-N 3.38Å; L622-I626 HydrophobicContact CD2-CD1 4.01Å
623P31.1Very low36.5Very low92 Ų9295.4 Ų95.460%0.59755%0.551SS**  trans-51.8137.5164-20.429.7000109.5N625P623-N625 PolarHBondContact O-N 2.82Å
624T35.7Very low36.5Very low131 Ų13198.7 Ų98.780%0.80457%0.566SS**SBendtrans-58.3-10.2-171.728.30000115.4L622L622-T624 PolarHBondContact O-N 3.38Å
625N31.1Very low36.3Very low153 Ų15399.8 Ų99.882%0.81857%0.566SS**  trans-133.489.7175.6-73.2-33.1000110.6P623P623-N625 PolarHBondContact O-N 2.82Å
626I29.6Very low36.1Very low96 Ų9698.7 Ų98.749%0.49256%0.562SS.*  trans-111.3107.2158.8-64174.8000107.2L622 L628L622-I626 HydrophobicContact CD2-CD1 4.01Å; I626-L628 HydrophobicContact CG2-CG 4.21Å; I626-L628 PolarHBondContact O-N 2.76Å
627S26.3Very low35.6Very low104 Ų104103.8 Ų103.873%0.72759%0.592SS**  trans-74106.9157.759.40000107.4N629S627-N629 PolarHBondContact O-N 2.74Å; S627-N629 VanDerWaalsContact O-N 3.11Å
628L30.5Very low35.2Very low114 Ų114107.9 Ų107.960%0.59760%0.595SS**  trans-70.7100.9167.3-83.2150.1000107.5V597 I612 I626V597-L628 HydrophobicContact CG2-CD1 4.03Å; I612-L628 HydrophobicContact CD1-CD1 3.8Å; I626-L628 HydrophobicContact CG2-CG 4.21Å; I626-L628 PolarHBondContact O-N 2.76Å
629N26.1Very low34.5Very low220 Ų220117.5 Ų117.5100%1.17665%0.648SS**  trans-82.80163.1-93.1-15.4000109.8S627S627-N629 PolarHBondContact O-N 2.74Å; S627-N629 VanDerWaalsContact O-N 3.11Å

Retrieved 629 of 629 residues in 1406.8 ms (Link to these results)

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