A0A087YB33_POEFO Loading...

Ubiquitin carboxyl-terminal hydrolase

AlphaFold DB , UniProt , Accession A0A087YB33, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 829 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
1M48Very low75.5Confident229 Ų22966.1 Ų66.1100%1.12836%0.363SS*.  0127.60-71.3170.6-166.700106
2A58.5Low76.4Confident54 Ų5462.5 Ų62.545%0.44634%0.342SS..  trans-63.8148.4170.800000108.8V4 V7A2-V4 PolarHBondContact O-N 3.11Å; A2-V7 HydrophobicContact CB-CG2 3.58Å
3D76.8Confident77.2Confident99 Ų9964.9 Ų64.953%0.52937%0.367SS..  trans-62.6133.5175.9-178.817.1000109.7G5 E6 V7D3-G5 PolarHBondContact O-N 3.22Å; D3-G5 VanDerWaalsContact O-N 3.13Å; D3-E6 HydrophobicContact CB-CB 4.46Å; D3-E6 HydrophobicContact CB-CG 4.16Å; D3-E6 PolarHBondContact O-N 3.44Å; D3-V7 WeakPolarHBondContact O-CG2 3.32Å; D3-V7 PolarHBondContact O-N 2.91Å; D3-V7 VanDerWaalsContact O-N 3.11Å
4V76.2Confident78.1Confident27 Ų2763.2 Ų63.216%0.16436%0.358CS..Hα-helixtrans-55.7-34.6-177176.10000110.1A2 V7 L8 V129 D133A2-V4 PolarHBondContact O-N 3.11Å; V4-V7 PolarHBondContact O-N 2.97Å; V4-L8 VanDerWaalsContact O-CB 3.3Å; V4-L8 WeakPolarHBondContact O-CB 3.21Å; V4-L8 PolarHBondContact O-N 3.22Å; V4-V129 HydrophobicContact CG1-CB 4.45Å; V4-V129 HydrophobicContact CG1-CG1 4.47Å; V4-V129 HydrophobicContact CG1-CG2 3.94Å; V4-D133 HydrophobicContact CG1-CB 4.48Å
5G73.9Confident79Confident4 Ų459 Ų594%0.04133%0.334CS..Hα-helixtrans-62.4-49174.700000115D3 V7 L8 M9D3-G5 PolarHBondContact O-N 3.22Å; D3-G5 VanDerWaalsContact O-N 3.13Å; G5-V7 VanDerWaalsContact C-N 3.27Å; G5-V7 PolarHBondContact O-N 3.1Å; G5-L8 PolarHBondContact O-N 3.01Å; G5-M9 WeakPolarHBondContact O-CB 3.28Å; G5-M9 VanDerWaalsContact O-CG 3.26Å; G5-M9 WeakPolarHBondContact O-CG 3.43Å; G5-M9 PolarHBondContact O-N 3.17Å
6E78.4Confident79.9Confident134 Ų13462 Ų6263%0.62634%0.339SS*.Hα-helixtrans-62.1-40177.9-68.8-175.1161.200111.1D3 S10D3-E6 HydrophobicContact CB-CB 4.46Å; D3-E6 HydrophobicContact CB-CG 4.16Å; D3-E6 PolarHBondContact O-N 3.44Å; E6-S10 PolarHBondContact O-N 3.02Å; E6-S10 VanDerWaalsContact O-N 3.1Å
7V81.4Confident80.5Confident11 Ų1161.6 Ų61.67%0.06734%0.338CS..Hα-helixtrans-67.8-45.6178.6-176.10000111A2 D3 V4 G5 M9 S10 V11 R67 I122A2-V7 HydrophobicContact CB-CG2 3.58Å; D3-V7 WeakPolarHBondContact O-CG2 3.32Å; D3-V7 PolarHBondContact O-N 2.91Å; D3-V7 VanDerWaalsContact O-N 3.11Å; V4-V7 PolarHBondContact O-N 2.97Å; G5-V7 VanDerWaalsContact C-N 3.27Å; G5-V7 PolarHBondContact O-N 3.1Å; V7-M9 VanDerWaalsContact C-N 3.31Å; V7-M9 PolarHBondContact O-N 3.49Å; V7-S10 WeakPolarHBondContact O-CB 3.22Å; V7-S10 PolarHBondContact O-N 3.26Å; V7-S10 VanDerWaalsContact O-N 3.14Å; V7-S10 PolarHBondContact O-OG 3.43Å; V7-V11 PolarHBondContact O-N 3Å; V7-R67 VanDerWaalsContact CG1-NH2 3.28Å; V7-I122 HydrophobicContact CG1-CD1 4.13Å; V7-I122 HydrophobicContact CG1-CG2 3.68Å
8L82.1Confident80.8Confident1 Ų159.3 Ų59.31%0.00533%0.327CS..Hα-helixtrans-61.7-40.3178.1-175.761.2000111.6V4 G5 S10 V11 L12 I15 I122 V129 L134 V141 V145V4-L8 VanDerWaalsContact O-CB 3.3Å; V4-L8 WeakPolarHBondContact O-CB 3.21Å; V4-L8 PolarHBondContact O-N 3.22Å; G5-L8 PolarHBondContact O-N 3.01Å; L8-S10 VanDerWaalsContact C-N 3.31Å; L8-S10 PolarHBondContact O-N 3.09Å; L8-V11 HydrophobicContact CD1-CG2 4.3Å; L8-V11 VanDerWaalsContact O-CG2 3.28Å; L8-V11 WeakPolarHBondContact O-CG2 3.5Å; L8-V11 PolarHBondContact O-N 3.42Å; L8-L12 PolarHBondContact O-N 3.28Å; L8-L12 VanDerWaalsContact O-N 3.13Å; L8-I15 HydrophobicContact CD1-CD1 4.07Å; L8-I122 HydrophobicContact CB-CD1 4.01Å; L8-I122 HydrophobicContact CD1-CD1 4.06Å; L8-V129 HydrophobicContact CD2-CG1 4.1Å; L8-L134 HydrophobicContact CD2-CD2 4.1Å; L8-V141 HydrophobicContact CD2-CG1 4.47Å; L8-V145 HydrophobicContact CD1-CG2 4.37Å; L8-V145 HydrophobicContact CD2-CG2 4.46Å
9M82.1Confident80.9Confident91 Ų9164 Ų6445%0.44834%0.344SS..Hα-helixtrans-60.8-39.4174.3-75.5-63.1-74.900112.4G5 V7 V11 L12 V141G5-M9 WeakPolarHBondContact O-CB 3.28Å; G5-M9 VanDerWaalsContact O-CG 3.26Å; G5-M9 WeakPolarHBondContact O-CG 3.43Å; G5-M9 PolarHBondContact O-N 3.17Å; V7-M9 VanDerWaalsContact C-N 3.31Å; V7-M9 PolarHBondContact O-N 3.49Å; M9-V11 PolarHBondContact O-N 3.09Å; M9-L12 PolarHBondContact O-N 2.96Å; M9-L12 HydrophobicContact SD-CD2 4.48Å; M9-V141 HydrophobicContact CE-CG2 4.16Å; M9-V141 HydrophobicContact SD-CB 4.28Å; M9-V141 HydrophobicContact SD-CG1 4.02Å; M9-V141 HydrophobicContact SD-CG2 3.29Å; M9-V141 WeakPolarHBondContact SD-CG2 3.36Å
10S85.4Confident80.5Confident71 Ų7167.9 Ų67.950%0.49737%0.373SS..Hα-helixtrans-65.6-23.7179.378.10000113.7E6 V7 L8E6-S10 PolarHBondContact O-N 3.02Å; E6-S10 VanDerWaalsContact O-N 3.1Å; V7-S10 WeakPolarHBondContact O-CB 3.22Å; V7-S10 PolarHBondContact O-N 3.26Å; V7-S10 VanDerWaalsContact O-N 3.14Å; V7-S10 PolarHBondContact O-OG 3.43Å; L8-S10 VanDerWaalsContact C-N 3.31Å; L8-S10 PolarHBondContact O-N 3.09Å
11V87.3Confident80Confident6 Ų668.5 Ų68.54%0.03640%0.395CS..Hα-helixtrans-107.6-3-175.8-57.60000113.3V7 L8 M9 S13 T14 R67 A68V7-V11 PolarHBondContact O-N 3Å; L8-V11 HydrophobicContact CD1-CG2 4.3Å; L8-V11 VanDerWaalsContact O-CG2 3.28Å; L8-V11 WeakPolarHBondContact O-CG2 3.5Å; L8-V11 PolarHBondContact O-N 3.42Å; M9-V11 PolarHBondContact O-N 3.09Å; V11-S13 PolarHBondContact O-N 3.43Å; V11-S13 VanDerWaalsContact O-N 3.15Å; V11-T14 WeakPolarHBondContact O-CB 3.05Å; V11-T14 PolarHBondContact O-N 2.79Å; V11-T14 PolarHBondContact O-OG1 3.32Å; V11-R67 HydrophobicContact CG1-CB 3.7Å; V11-R67 HydrophobicContact CG1-CG 4.3Å; V11-A68 HydrophobicContact CG2-CB 4.07Å
12L86.2Confident81.4Confident23 Ų2360.1 Ų60.112%0.1235%0.354CS..G310 helixtrans-57.4-33.2-174.8-171.864.9000113.6L8 M9 T14 I15 V141 R144 V145L8-L12 PolarHBondContact O-N 3.28Å; L8-L12 VanDerWaalsContact O-N 3.13Å; M9-L12 PolarHBondContact O-N 2.96Å; M9-L12 HydrophobicContact SD-CD2 4.48Å; L12-T14 PolarHBondContact O-N 2.59Å; L12-I15 HydrophobicContact CD1-CD1 4.36Å; L12-I15 PolarHBondContact O-N 3.2Å; L12-I15 VanDerWaalsContact O-N 3.16Å; L12-V141 HydrophobicContact CD1-CG1 3.96Å; L12-V141 HydrophobicContact CD2-CB 4.33Å; L12-V141 HydrophobicContact CD2-CG1 4.18Å; L12-V141 HydrophobicContact CD2-CG2 3.88Å; L12-R144 HydrophobicContact CD1-CB 4.37Å; L12-R144 HydrophobicContact CD1-CG 4.32Å; L12-R144 VanDerWaalsContact O-CZ 3.3Å; L12-R144 PolarHBondContact O-NH2 2.64Å; L12-V145 HydrophobicContact CD1-CG2 4.29Å
13S87.7Confident82.5Confident94 Ų9463.4 Ų63.466%0.65736%0.355SS*.G310 helixtrans-61.1-27.7176.156.90000112.9V11V11-S13 PolarHBondContact O-N 3.43Å; V11-S13 VanDerWaalsContact O-N 3.15Å
14T89.7Confident83Confident41 Ų4158.7 Ų58.725%0.25233%0.33SS..G310 helixtrans-87.3-9.8179.6730000113.5V11 L12 R16 N47 Q66V11-T14 WeakPolarHBondContact O-CB 3.05Å; V11-T14 PolarHBondContact O-N 2.79Å; V11-T14 PolarHBondContact O-OG1 3.32Å; L12-T14 PolarHBondContact O-N 2.59Å; T14-R16 PolarHBondContact O-N 3.15Å; T14-N47 WeakPolarHBondContact O-CA 3.46Å; T14-N47 WeakPolarHBondContact O-CB 3.47Å; T14-N47 PolarHBondContact O-OD1 3.09Å; T14-Q66 PolarHBondContact OG1-NE2 3.42Å
15I91.8Very high83.6Confident0 Ų058 Ų580%033%0.325CS..  trans-85.1110.5179-61178.1000108.7L8 L12 M46 A68 R144 V145L8-I15 HydrophobicContact CD1-CD1 4.07Å; L12-I15 HydrophobicContact CD1-CD1 4.36Å; L12-I15 PolarHBondContact O-N 3.2Å; L12-I15 VanDerWaalsContact O-N 3.16Å; I15-M46 HydrophobicContact CG1-CB 4.43Å; I15-M46 HydrophobicContact CG2-CB 4.34Å; I15-M46 HydrophobicContact CG2-CE 3.93Å; I15-A68 HydrophobicContact CD1-CB 4.09Å; I15-A68 HydrophobicContact CG1-CB 3.94Å; I15-R144 VanDerWaalsContact O-CZ 3.28Å; I15-R144 PolarHBondContact O-NE 3.5Å; I15-R144 PolarHBondContact O-NH2 3.01Å; I15-V145 HydrophobicContact CD1-CG2 3.98Å
16R92.9Very high84.3Confident107 Ų10758.6 Ų58.640%0.40433%0.327SS..PPolyproline II helixtrans-99.9151.5175.1-71-177.957.1-166.8-5.2110.3T14 M46 N47 F49 S148T14-R16 PolarHBondContact O-N 3.15Å; R16-M46 PolarHBondContact N-O 3.21Å; R16-N47 WeakPolarHBondContact CD-O 3.36Å; R16-N47 WeakPolarHBondContact CD-OD1 3.31Å; R16-N47 WeakPolarHBondContact CG-OD1 3.37Å; R16-F49 HydrophobicContact CB-CE1 4.15Å; R16-F49 HydrophobicContact CB-CZ 3.74Å; R16-S148 WeakPolarHBondContact O-CB 3.45Å; R16-S148 PolarHBondContact O-OG 3.03Å
17V89.7Confident84.7Confident55 Ų5553.7 Ų53.733%0.33331%0.305SS..PPolyproline II helixtrans-99.3126.8170.9-177.60000107.3L147V17-L147 HydrophobicContact CG1-CB 4.32Å; V17-L147 HydrophobicContact CG2-CB 4.03Å
18P85.9Confident85.2Confident20 Ų2054 Ų5413%0.1331%0.305CS..PPolyproline II helixtrans-56.4138176.8-2533.7000112V24 F49 I152P18-V24 HydrophobicContact CB-CG2 4.19Å; P18-V24 HydrophobicContact CG-CG2 4.31Å; P18-F49 HydrophobicContact CB-CE2 4.21Å; P18-F49 HydrophobicContact CB-CZ 4.16Å; P18-F49 HydrophobicContact CG-CD1 4.03Å; P18-F49 HydrophobicContact CG-CE1 3.69Å; P18-F49 HydrophobicContact CG-CE2 4.22Å; P18-F49 HydrophobicContact CG-CG 4.44Å; P18-F49 HydrophobicContact CG-CZ 3.78Å; P18-I152 HydrophobicContact CG-CB 4.49Å; P18-I152 HydrophobicContact CG-CG1 3.61Å
19K83.9Confident85.8Confident149 Ų14954 Ų5465%0.64831%0.305SS*.  trans-108.3161.9174.3-65.1-178.6-179.4-179.70110.7G21 D22K19-G21 PolarHBondContact O-N 3.48Å; K19-D22 PolarHBondContact N-OD2 3.32Å; K19-D22 WeakPolarHBondContact O-CB 3.29Å; K19-D22 PolarHBondContact O-N 3.35Å
20P72.4Confident86.3Confident142 Ų14249.6 Ų49.692%0.92228%0.284SS*.THydrogen-bonded Turntrans-54122.9169.9-24.634.5000110.8
21G68.9Low86.7Confident81 Ų8146.8 Ų46.884%0.83526%0.263SS*.THydrogen-bonded Turntrans97.7-10.9-176.100000115.5K19K19-G21 PolarHBondContact O-N 3.48Å
22D78.7Confident87.1Confident53 Ų5346.7 Ų46.728%0.28326%0.262SS..  trans-71.2136.3170.7-76.2-33.6000110.4K19 F49K19-D22 PolarHBondContact N-OD2 3.32Å; K19-D22 WeakPolarHBondContact O-CB 3.29Å; K19-D22 PolarHBondContact O-N 3.35Å; D22-F49 HydrophobicContact CB-CD2 4.03Å; D22-F49 HydrophobicContact CB-CE2 3.99Å
23R81.2Confident87.4Confident122 Ų12246.5 Ų46.546%0.4626%0.261SS..  trans-88.4112.4179.6-65.4-179.1-62.9163.712.7110.1V158 D366R23-V158 HydrophobicContact CB-CG2 3.82Å; R23-V158 HydrophobicContact CG-CG2 4.41Å; R23-D366 IonicContact NH2-OD2 3.86Å; R23-D366 PolarHBondContact NH2-OD2 2.79Å; R23-D366 VanDerWaalsContact NH2-OD2 3.09Å
24V86.9Confident87.6Confident1 Ų142.5 Ų42.51%0.00623%0.233CC..BIsolated β-bridgetrans-103.7113.4-178.9-177.60000110.6P18 K26 F49 I152 A155 S157 V158P18-V24 HydrophobicContact CB-CG2 4.19Å; P18-V24 HydrophobicContact CG-CG2 4.31Å; V24-K26 HydrophobicContact CG1-CB 4.34Å; V24-K26 HydrophobicContact CG1-CG 4.45Å; V24-K26 PolarHBondContact O-N 3.42Å; V24-F49 HydrophobicContact CB-CB 4.35Å; V24-F49 HydrophobicContact CG1-CB 4.36Å; V24-F49 HydrophobicContact CG2-CB 4.01Å; V24-F49 HydrophobicContact CG2-CD2 4.46Å; V24-F49 HydrophobicContact CG2-CG 4.27Å; V24-I152 HydrophobicContact CG1-CG2 3.88Å; V24-A155 HydrophobicContact CB-CB 4.13Å; V24-A155 HydrophobicContact CG2-CB 3.7Å; V24-S157 WeakPolarHBondContact O-CA 3.24Å; V24-V158 PolarHBondContact O-N 3.27Å
25H89.4Confident87.6Confident12 Ų1241.8 Ų41.86%0.05623%0.229CC..  trans-96.380.4180-65.2-94.9000110.6F49 G51H25-F49 PolarHBondContact N-O 3.06Å; H25-G51 WeakPolarHBondContact O-CA 3.34Å; H25-G51 PolarHBondContact O-N 3.06Å; H25-G51 VanDerWaalsContact O-N 3.13Å
26K89Confident87.5Confident17 Ų1741.9 Ų41.97%0.07423%0.23CC..  trans-105.4-8.8-178.665.5177.8172.6-166.30115.8V24 P36 I42 V44 I72 I152 M153 A155V24-K26 HydrophobicContact CG1-CB 4.34Å; V24-K26 HydrophobicContact CG1-CG 4.45Å; V24-K26 PolarHBondContact O-N 3.42Å; K26-P36 VanDerWaalsContact O-CG 3.32Å; K26-P36 WeakPolarHBondContact O-CG 3.43Å; K26-I42 WeakPolarHBondContact O-CG2 3.2Å; K26-V44 HydrophobicContact CB-CG2 3.95Å; K26-I72 HydrophobicContact CB-CD1 4Å; K26-I152 WeakPolarHBondContact CD-O 3.23Å; K26-I152 PolarHBondContact NZ-O 2.77Å; K26-M153 VanDerWaalsContact NZ-C 3.33Å; K26-M153 PolarHBondContact NZ-O 3.19Å; K26-A155 WeakPolarHBondContact CE-O 3.27Å; K26-A155 PolarHBondContact NZ-O 3.17Å
27D85.6Confident87.2Confident31 Ų3142 Ų4217%0.16624%0.235CC..SBendtrans-102.1-20.2-176.6-61.3-49.4000114.3S35 P36 R74 S157 S159D27-S35 WeakPolarHBondContact O-CA 3.35Å; D27-S35 WeakPolarHBondContact O-CB 3.48Å; D27-P36 VanDerWaalsContact O-CD 3.26Å; D27-P36 WeakPolarHBondContact O-CD 3.49Å; D27-R74 IonicContact OD1-CZ 3.51Å; D27-R74 IonicContact OD1-NH1 3.65Å; D27-R74 PolarHBondContact OD1-NH1 3.32Å; D27-R74 VanDerWaalsContact OD1-NH1 3.09Å; D27-R74 IonicContact OD1-NH2 3.28Å; D27-S157 WeakPolarHBondContact OD2-CB 3.38Å; D27-S157 PolarHBondContact OD2-OG 3.34Å; D27-S159 WeakPolarHBondContact OD2-CB 3.38Å
28E91.6Very high87.1Confident17 Ų1741.1 Ų41.18%0.07923%0.232CC..SBendtrans-149.3139.7-175-175.1-177.7120.500110.2S34 I42 K377 M414E28-S34 CarbonylContact C-O 3.59Å; E28-S34 WeakPolarHBondContact CA-O 3.3Å; E28-I42 VanDerWaalsContact C-CD1 3.41Å; E28-K377 WeakPolarHBondContact OE1-CE 3.48Å; E28-K377 IonicContact OE1-NZ 3.43Å; E28-K377 PolarHBondContact OE1-NZ 3.43Å; E28-M414 HydrophobicContact CB-CE 3.69Å; E28-M414 HydrophobicContact CG-CE 3.82Å; E28-M414 WeakPolarHBondContact O-CE 3.44Å
29C94.5Very high87Confident0 Ų049.8 Ų49.80%027%0.271CS..  trans-65.8141.9177.3175.90000111.3L31 S32 S34 G51 G53 K377 M414C29-L31 PolarHBondContact O-N 3.15Å; C29-L31 PolarHBondContact SG-N 3.2Å; C29-S32 CarbonylContact C-O 3.58Å; C29-S32 WeakPolarHBondContact CB-O 3.37Å; C29-S32 PolarHBondContact SG-N 3.4Å; C29-S34 PolarHBondContact N-O 3.04Å; C29-G51 CarbonylContact C-O 3.56Å; C29-G51 WeakPolarHBondContact CA-O 3.3Å; C29-G53 PolarHBondContact SG-N 3.1Å; C29-K377 PolarHBondContact O-NZ 3.39Å; C29-M414 WeakPolarHBondContact O-CE 3.23Å
30A93.9Very high87.2Confident0 Ų044.2 Ų44.20%026%0.255CS..SBendtrans-65.6-24.417600000113.9G51 F52 P367 T368 Q374A30-G51 PolarHBondContact N-O 3.45Å; A30-F52 HydrophobicContact CB-CE1 4.22Å; A30-P367 HydrophobicContact CB-CG 3.85Å; A30-T368 HydrophobicContact CB-CG2 3.63Å; A30-Q374 PolarHBondContact O-NE2 2.93Å
31L94.3Very high88.1Confident12 Ų1237.5 Ų37.56%0.06321%0.212CC..SBendtrans-112.3-14.6-172.7-59177.7000114.3C29 F52 Y56 I360 P367 T373C29-L31 PolarHBondContact O-N 3.15Å; C29-L31 PolarHBondContact SG-N 3.2Å; L31-F52 HydrophobicContact CD1-CD1 4.26Å; L31-F52 HydrophobicContact CD1-CE1 4.34Å; L31-F52 HydrophobicContact CG-CE1 4.49Å; L31-Y56 HydrophobicContact CB-CD1 4.19Å; L31-Y56 HydrophobicContact CB-CD2 4.05Å; L31-Y56 HydrophobicContact CB-CE1 4.48Å; L31-Y56 HydrophobicContact CB-CE2 4.37Å; L31-Y56 HydrophobicContact CB-CG 3.98Å; L31-Y56 HydrophobicContact CD1-CD1 3.99Å; L31-Y56 HydrophobicContact CD1-CG 4.04Å; L31-I360 HydrophobicContact CD1-CG2 3.82Å; L31-I360 HydrophobicContact CD2-CG1 4.33Å; L31-I360 HydrophobicContact CD2-CG2 4.44Å; L31-P367 HydrophobicContact CD2-CB 3.67Å; L31-P367 HydrophobicContact CD2-CG 3.94Å; L31-T373 HydrophobicContact CD2-CG2 3.46Å; L31-T373 VanDerWaalsContact CD2-CG2 3.46Å
32S94.3Very high89.4Confident3 Ų333.7 Ų33.72%0.02117%0.172CC..SBendtrans-144.3179.7175.360.20000111.8C29 S34 Y56 K377C29-S32 CarbonylContact C-O 3.58Å; C29-S32 WeakPolarHBondContact CB-O 3.37Å; C29-S32 PolarHBondContact SG-N 3.4Å; S32-S34 PolarHBondContact O-N 3.09Å; S32-S34 PolarHBondContact OG-N 2.63Å; S32-S34 PolarHBondContact OG-OG 2.84Å; S32-Y56 WeakPolarHBondContact OG-CE2 3.49Å; S32-K377 VanDerWaalsContact C-CE 3.47Å; S32-K377 WeakPolarHBondContact O-CE 3.45Å; S32-K377 PolarHBondContact O-NZ 3.46Å; S32-K377 VanDerWaalsContact O-NZ 3.08Å
33F93.2Very high90.2Very high19 Ų1931.9 Ų31.98%0.08316%0.162CC..SBendtrans-89.719.1173-65-74.4000113.1S35 K377 L378 Y387 I410 A411F33-S35 PolarHBondContact O-N 3.47Å; F33-K377 HydrophobicContact CD2-CG 4.38Å; F33-K377 HydrophobicContact CE2-CG 3.94Å; F33-K377 WeakPolarHBondContact CE2-O 3.12Å; F33-K377 HydrophobicContact CZ-CG 4.09Å; F33-L378 HydrophobicContact CZ-CD1 4.25Å; F33-Y387 HydrophobicContact CB-CD1 4.28Å; F33-Y387 HydrophobicContact CB-CE1 3.77Å; F33-Y387 HydrophobicContact CB-CE2 4.23Å; F33-Y387 HydrophobicContact CD2-CD2 4.49Å; F33-Y387 HydrophobicContact CD2-CE2 4.12Å; F33-I410 HydrophobicContact CB-CG2 4.26Å; F33-I410 HydrophobicContact CD1-CB 4.18Å; F33-I410 HydrophobicContact CD2-CB 3.95Å; F33-I410 HydrophobicContact CD2-CD1 4.43Å; F33-I410 HydrophobicContact CD2-CG2 3.64Å; F33-I410 HydrophobicContact CE1-CB 4.3Å; F33-I410 HydrophobicContact CE2-CB 4.08Å; F33-I410 HydrophobicContact CE2-CD1 3.81Å; F33-I410 HydrophobicContact CE2-CG1 4.48Å; F33-I410 HydrophobicContact CE2-CG2 4.1Å; F33-I410 HydrophobicContact CG-CB 4Å; F33-I410 HydrophobicContact CG-CG2 3.91Å; F33-I410 HydrophobicContact CZ-CB 4.25Å; F33-I410 HydrophobicContact CZ-CD1 4.03Å; F33-A411 WeakPolarHBondContact CE1-O 3.3Å
34S91.9Very high90.9Very high10 Ų1026.1 Ų26.17%0.0714%0.14CC..  trans-65.6132.9173.9-49.80000110.1E28 C29 S32 S38E28-S34 CarbonylContact C-O 3.59Å; E28-S34 WeakPolarHBondContact CA-O 3.3Å; C29-S34 PolarHBondContact N-O 3.04Å; S32-S34 PolarHBondContact O-N 3.09Å; S32-S34 PolarHBondContact OG-N 2.63Å; S32-S34 PolarHBondContact OG-OG 2.84Å; S34-S38 WeakPolarHBondContact CA-OG 3.23Å
35S90.1Very high91.3Very high26 Ų2626.1 Ų26.118%0.18214%0.14CC..  trans-118.5173.817969.70000110.3D27 F33 E37 S38D27-S35 WeakPolarHBondContact O-CA 3.35Å; D27-S35 WeakPolarHBondContact O-CB 3.48Å; F33-S35 PolarHBondContact O-N 3.47Å; S35-E37 PolarHBondContact O-N 2.99Å; S35-E37 VanDerWaalsContact O-N 3.12Å; S35-E37 PolarHBondContact OG-N 2.89Å; S35-S38 PolarHBondContact N-OG 3.22Å; S35-S38 VanDerWaalsContact O-CB 3.27Å; S35-S38 WeakPolarHBondContact O-CB 3.45Å; S35-S38 PolarHBondContact O-N 3.49Å; S35-S38 PolarHBondContact O-OG 3.49Å; S35-S38 PolarHBondContact OG-OG 2.99Å
36P89.4Confident91.5Very high3 Ų325.5 Ų25.52%0.01914%0.137CC..THydrogen-bonded Turntrans-54.4-25.4169.7-27.133.7000114.5K26 D27 S38 I42 I72 T73 R74K26-P36 VanDerWaalsContact O-CG 3.32Å; K26-P36 WeakPolarHBondContact O-CG 3.43Å; D27-P36 VanDerWaalsContact O-CD 3.26Å; D27-P36 WeakPolarHBondContact O-CD 3.49Å; P36-S38 VanDerWaalsContact C-N 3.33Å; P36-I42 HydrophobicContact CB-CG2 4.39Å; P36-I42 HydrophobicContact CG-CG2 3.78Å; P36-I72 HydrophobicContact CB-CG2 4.12Å; P36-I72 HydrophobicContact CG-CG2 4.32Å; P36-T73 CarbonylContact O-C 3.52Å; P36-T73 WeakPolarHBondContact O-CA 3.26Å; P36-R74 HydrophobicContact CB-CB 4Å; P36-R74 HydrophobicContact CB-CG 3.6Å; P36-R74 PolarHBondContact O-N 3.04Å
37E87.1Confident91.7Very high108 Ų10827.1 Ų27.151%0.50515%0.146SC..THydrogen-bonded Turntrans-82.4-12.2178.6-62.3160.7-151.100112.8S35 R74 Y114S35-E37 PolarHBondContact O-N 2.99Å; S35-E37 VanDerWaalsContact O-N 3.12Å; S35-E37 PolarHBondContact OG-N 2.89Å; E37-R74 HydrophobicContact CG-CB 3.82Å; E37-Y114 HydrophobicContact CG-CE1 4.11Å
38S86.8Confident92.1Very high38 Ų3828.2 Ų28.227%0.26616%0.155SC..SBendtrans-73.9154.6178.5-58.50000111.5S34 S35 P36 G40 G41S34-S38 WeakPolarHBondContact CA-OG 3.23Å; S35-S38 PolarHBondContact N-OG 3.22Å; S35-S38 VanDerWaalsContact O-CB 3.27Å; S35-S38 WeakPolarHBondContact O-CB 3.45Å; S35-S38 PolarHBondContact O-N 3.49Å; S35-S38 PolarHBondContact O-OG 3.49Å; S35-S38 PolarHBondContact OG-OG 2.99Å; P36-S38 VanDerWaalsContact C-N 3.33Å; S38-G40 PolarHBondContact O-N 3.39Å; S38-G41 PolarHBondContact O-N 3.34Å
39E84.4Confident92.2Very high202 Ų20227.6 Ų27.694%0.94415%0.152SC*.THydrogen-bonded Turntrans-56.2124.2173.5-168.8179.7176.800110.6
40G87.3Confident92.2Very high32 Ų3227.9 Ų27.933%0.3315%0.153SC..THydrogen-bonded Turntrans84.9-1.8-175.900000115.8S38 H71S38-G40 PolarHBondContact O-N 3.39Å; G40-H71 PolarHBondContact O-NE2 3.48Å
41G91.8Very high92.3Very high1 Ų127.9 Ų27.91%0.0115%0.153CC..  trans61.5-161.8173.600000115.1S38 I72S38-G41 PolarHBondContact O-N 3.34Å; G41-I72 WeakPolarHBondContact CA-O 3.23Å
42I95.2Very high92.4Very high0 Ų027.4 Ų27.40%015%0.151CC..EExtended strand (participates in β ladder)trans-121.3140.4179.5-161.2168.9000111.5K26 E28 P36 H71 I72K26-I42 WeakPolarHBondContact O-CG2 3.2Å; E28-I42 VanDerWaalsContact C-CD1 3.41Å; P36-I42 HydrophobicContact CB-CG2 4.39Å; P36-I42 HydrophobicContact CG-CG2 3.78Å; I42-H71 CarbonylContact O-C 3.57Å; I42-H71 WeakPolarHBondContact O-CA 3.46Å; I42-H71 PolarHBondContact O-CD2 3.09Å; I42-I72 HydrophobicContact CG2-CB 3.91Å; I42-I72 PolarHBondContact N-O 3.12Å; I42-I72 PolarHBondContact O-N 3.49Å
43Y96.2Very high92.4Very high16 Ų1627.3 Ų27.36%0.06315%0.15CC..EExtended strand (participates in β ladder)trans-108.1107.4177.2-65.4-95.1000109.3G51 F52 V57 L70 H71 V121 R126Y43-G51 CarbonylContact O-C 2.87Å; Y43-F52 WeakPolarHBondContact CB-O 3.48Å; Y43-F52 PolarHBondContact N-O 3Å; Y43-F52 PolarHBondContact O-N 3.35Å; Y43-V57 HydrophobicContact CD1-CG2 4.32Å; Y43-V57 HydrophobicContact CD2-CB 4.15Å; Y43-V57 HydrophobicContact CD2-CG1 4.01Å; Y43-V57 HydrophobicContact CD2-CG2 4.47Å; Y43-V57 HydrophobicContact CE2-CG1 4.28Å; Y43-V57 HydrophobicContact CG-CB 4.09Å; Y43-V57 HydrophobicContact CG-CG1 4.2Å; Y43-V57 HydrophobicContact CG-CG2 3.91Å; Y43-L70 CarbonylContact C-O 3.57Å; Y43-L70 WeakPolarHBondContact CA-O 3.31Å; Y43-H71 HydrophobicContact CD1-CB 3.94Å; Y43-H71 AromaticContact CD1-CD2 3.84Å; Y43-H71 AromaticContact CD2-CD2 3.88Å; Y43-H71 HydrophobicContact CE1-CB 3.86Å; Y43-H71 AromaticContact CE1-CD2 3.51Å; Y43-H71 AromaticContact CE1-CG 3.69Å; Y43-H71 AromaticContact CE2-CD2 3.55Å; Y43-H71 AromaticContact CE2-NE2 3.79Å; Y43-H71 AromaticContact CZ-CD2 3.36Å; Y43-H71 AromaticContact CZ-CG 3.92Å; Y43-H71 AromaticContact CZ-NE2 3.63Å; Y43-V121 HydrophobicContact CD1-CB 4.44Å; Y43-V121 HydrophobicContact CE1-CB 4.12Å; Y43-V121 HydrophobicContact CE1-CG1 4.08Å; Y43-V121 HydrophobicContact CE1-CG2 4.15Å; Y43-R126 PolarHBondContact OH-NH1 3.02Å
44V96Very high92.3Very high0 Ų028.1 Ų28.10%016%0.158CC..EExtended strand (participates in β ladder)trans-88.2119.1177.4-174.80000109.4K26 M46 L50 Y69 L70 I72 I152K26-V44 HydrophobicContact CB-CG2 3.95Å; V44-M46 PolarHBondContact O-N 3.06Å; V44-L50 CarbonylContact C-O 3.58Å; V44-L50 WeakPolarHBondContact CA-O 3.41Å; V44-Y69 CarbonylContact O-C 3.23Å; V44-Y69 VanDerWaalsContact O-CA 3.28Å; V44-Y69 WeakPolarHBondContact O-CA 3.44Å; V44-L70 HydrophobicContact CB-CB 4.3Å; V44-L70 PolarHBondContact N-O 2.8Å; V44-L70 PolarHBondContact O-N 3.25Å; V44-I72 HydrophobicContact CG2-CD1 3.89Å; V44-I152 HydrophobicContact CG1-CD1 4.49Å; V44-I152 HydrophobicContact CG1-CG2 4.08Å
45C95.6Very high92.3Very high1 Ų132.4 Ų32.41%0.00718%0.177CC..EExtended strand (participates in β ladder)trans-59.3119.2175173.40000110.3N47 T48 F49 L50 F52 Y69C45-N47 PolarHBondContact O-N 3.01Å; C45-N47 VanDerWaalsContact O-N 3.09Å; C45-N47 PolarHBondContact SG-N 2.94Å; C45-T48 WeakPolarHBondContact CB-OG1 3.18Å; C45-T48 PolarHBondContact SG-N 2.87Å; C45-T48 PolarHBondContact SG-OG1 3.41Å; C45-F49 WeakPolarHBondContact O-CA 3.29Å; C45-F49 PolarHBondContact O-N 3.09Å; C45-L50 WeakPolarHBondContact CB-O 3.24Å; C45-L50 PolarHBondContact N-O 3.02Å; C45-F52 HydrophobicContact CB-CE2 4.36Å; C45-Y69 HydrophobicContact CB-CD1 4.18Å; C45-Y69 HydrophobicContact CB-CE1 4.06Å
46M94Very high92.4Very high0 Ų032.1 Ų32.10%017%0.172CC..THydrogen-bonded Turntrans-73.90.8-178.8-60.4-176.682.400113.7I15 R16 V44 A68 L70 V120 S148 M149 I152I15-M46 HydrophobicContact CG1-CB 4.43Å; I15-M46 HydrophobicContact CG2-CB 4.34Å; I15-M46 HydrophobicContact CG2-CE 3.93Å; R16-M46 PolarHBondContact N-O 3.21Å; V44-M46 PolarHBondContact O-N 3.06Å; M46-A68 PolarHBondContact N-O 3.02Å; M46-A68 HydrophobicContact SD-CB 4.26Å; M46-L70 HydrophobicContact CG-CB 4.33Å; M46-V120 HydrophobicContact CE-CG2 4.31Å; M46-V120 HydrophobicContact SD-CG1 4.05Å; M46-V120 HydrophobicContact SD-CG2 4.26Å; M46-S148 WeakPolarHBondContact CE-OG 3.27Å; M46-M149 HydrophobicContact CE-CG 4.23Å; M46-I152 HydrophobicContact CG-CD1 4.33Å
47N93.6Very high92.6Very high50 Ų5032 Ų3227%0.26717%0.171SC..THydrogen-bonded Turntrans-103.3-50.2175.3-170.434.7000112.5T14 R16 C45T14-N47 WeakPolarHBondContact O-CA 3.46Å; T14-N47 WeakPolarHBondContact O-CB 3.47Å; T14-N47 PolarHBondContact O-OD1 3.09Å; R16-N47 WeakPolarHBondContact CD-O 3.36Å; R16-N47 WeakPolarHBondContact CD-OD1 3.31Å; R16-N47 WeakPolarHBondContact CG-OD1 3.37Å; C45-N47 PolarHBondContact O-N 3.01Å; C45-N47 VanDerWaalsContact O-N 3.09Å; C45-N47 PolarHBondContact SG-N 2.94Å
48T92.5Very high92.9Very high55 Ų5528.3 Ų28.334%0.33716%0.162SC..THydrogen-bonded Turntrans-103.2-10.2-174.859.90000113.6C45 L50C45-T48 WeakPolarHBondContact CB-OG1 3.18Å; C45-T48 PolarHBondContact SG-N 2.87Å; C45-T48 PolarHBondContact SG-OG1 3.41Å; T48-L50 PolarHBondContact O-N 3.48Å
49F94.5Very high93.1Very high4 Ų430.3 Ų30.32%0.01816%0.164CC..  trans62.319.3-177.5-40.4-50.9000114.7R16 P18 D22 V24 H25 C45 I152R16-F49 HydrophobicContact CB-CE1 4.15Å; R16-F49 HydrophobicContact CB-CZ 3.74Å; P18-F49 HydrophobicContact CB-CE2 4.21Å; P18-F49 HydrophobicContact CB-CZ 4.16Å; P18-F49 HydrophobicContact CG-CD1 4.03Å; P18-F49 HydrophobicContact CG-CE1 3.69Å; P18-F49 HydrophobicContact CG-CE2 4.22Å; P18-F49 HydrophobicContact CG-CG 4.44Å; P18-F49 HydrophobicContact CG-CZ 3.78Å; D22-F49 HydrophobicContact CB-CD2 4.03Å; D22-F49 HydrophobicContact CB-CE2 3.99Å; V24-F49 HydrophobicContact CB-CB 4.35Å; V24-F49 HydrophobicContact CG1-CB 4.36Å; V24-F49 HydrophobicContact CG2-CB 4.01Å; V24-F49 HydrophobicContact CG2-CD2 4.46Å; V24-F49 HydrophobicContact CG2-CG 4.27Å; H25-F49 PolarHBondContact N-O 3.06Å; C45-F49 WeakPolarHBondContact O-CA 3.29Å; C45-F49 PolarHBondContact O-N 3.09Å; F49-I152 HydrophobicContact CD1-CD1 4.28Å; F49-I152 HydrophobicContact CD1-CG1 4.21Å
50L95.1Very high93.5Very high6 Ų621.4 Ų21.43%0.03112%0.122CC..  trans-80.9136.9172.6-64.4173.5000111.3V44 C45 T48 F52 S365 D366 T368V44-L50 CarbonylContact C-O 3.58Å; V44-L50 WeakPolarHBondContact CA-O 3.41Å; C45-L50 WeakPolarHBondContact CB-O 3.24Å; C45-L50 PolarHBondContact N-O 3.02Å; T48-L50 PolarHBondContact O-N 3.48Å; L50-F52 HydrophobicContact CB-CE2 3.6Å; L50-F52 HydrophobicContact CB-CZ 3.73Å; L50-F52 HydrophobicContact CD1-CZ 4.2Å; L50-S365 WeakPolarHBondContact CD1-O 3.32Å; L50-D366 HydrophobicContact CD1-CB 4.48Å; L50-T368 HydrophobicContact CD2-CG2 3.92Å
51G94.9Very high93.8Very high0 Ų021.7 Ų21.70%012%0.115CC..EExtended strand (participates in β ladder)trans-93.7135.3178.200000113.3H25 C29 A30 Y43H25-G51 WeakPolarHBondContact O-CA 3.34Å; H25-G51 PolarHBondContact O-N 3.06Å; H25-G51 VanDerWaalsContact O-N 3.13Å; C29-G51 CarbonylContact C-O 3.56Å; C29-G51 WeakPolarHBondContact CA-O 3.3Å; A30-G51 PolarHBondContact N-O 3.45Å; Y43-G51 CarbonylContact O-C 2.87Å
52F96.1Very high93.8Very high2 Ų225.6 Ų25.61%0.00915%0.147CC..EExtended strand (participates in β ladder)trans-131131.9178.2-59-80.2000111.1A30 L31 Y43 C45 L50 V57 H60 Y69 P367A30-F52 HydrophobicContact CB-CE1 4.22Å; L31-F52 HydrophobicContact CD1-CD1 4.26Å; L31-F52 HydrophobicContact CD1-CE1 4.34Å; L31-F52 HydrophobicContact CG-CE1 4.49Å; Y43-F52 WeakPolarHBondContact CB-O 3.48Å; Y43-F52 PolarHBondContact N-O 3Å; Y43-F52 PolarHBondContact O-N 3.35Å; C45-F52 HydrophobicContact CB-CE2 4.36Å; L50-F52 HydrophobicContact CB-CE2 3.6Å; L50-F52 HydrophobicContact CB-CZ 3.73Å; L50-F52 HydrophobicContact CD1-CZ 4.2Å; F52-V57 HydrophobicContact CB-CB 4.16Å; F52-H60 HydrophobicContact CD1-CB 4.2Å; F52-H60 HydrophobicContact CD2-CB 4.19Å; F52-H60 AromaticContact CD2-CG 3.99Å; F52-H60 HydrophobicContact CE1-CB 4.11Å; F52-H60 AromaticContact CE1-CD2 3.89Å; F52-H60 HydrophobicContact CE2-CB 4.08Å; F52-H60 AromaticContact CE2-CD2 3.37Å; F52-H60 WeakPolarHBondContact CE2-CD2 3.43Å; F52-H60 AromaticContact CE2-CE1 3.93Å; F52-H60 AromaticContact CE2-CG 3.49Å; F52-H60 VanDerWaalsContact CE2-CG 3.49Å; F52-H60 AromaticContact CE2-ND1 3.85Å; F52-H60 AromaticContact CE2-NE2 3.65Å; F52-H60 HydrophobicContact CG-CB 4.25Å; F52-H60 HydrophobicContact CZ-CB 4.06Å; F52-H60 AromaticContact CZ-CD2 3.12Å; F52-H60 WeakPolarHBondContact CZ-CD2 3.5Å; F52-H60 AromaticContact CZ-CG 3.6Å; F52-H60 AromaticContact CZ-NE2 3.71Å; F52-Y69 HydrophobicContact CD2-CE1 4.46Å; F52-P367 HydrophobicContact CE1-CG 4.38Å
53G94Very high93.5Very high0 Ų031.2 Ų31.20%017%0.168CC..EExtended strand (participates in β ladder)trans-65.6161.8170.900000111.5C29 Q55 Y56 V57C29-G53 PolarHBondContact SG-N 3.1Å; G53-Q55 PolarHBondContact O-N 3.02Å; G53-Y56 PolarHBondContact O-N 3.02Å; G53-V57 PolarHBondContact O-N 2.51Å; G53-V57 VanDerWaalsContact O-N 3.07Å
54S92.1Very high93.1Very high36 Ų3633.9 Ų33.925%0.25219%0.186SC..THydrogen-bonded Turntrans-53.5-31.6-176.2-170.80000114.7R126S54-R126 PolarHBondContact O-NH2 3.43Å; S54-R126 PolarHBondContact OG-NH1 3.29Å
55Q91.1Very high92.9Very high101 Ų10136.2 Ų36.247%0.47221%0.21SC..THydrogen-bonded Turntrans-75.6-23.817866.3-155.2-6.900114.2G53G53-Q55 PolarHBondContact O-N 3.02Å
56Y93.2Very high92.7Very high19 Ų1936.6 Ų36.68%0.07521%0.212CC..THydrogen-bonded Turntrans-107.2-20.1-174.3-65.3-65.2000114.3L31 S32 G53 G58 R59 H60 I360L31-Y56 HydrophobicContact CB-CD1 4.19Å; L31-Y56 HydrophobicContact CB-CD2 4.05Å; L31-Y56 HydrophobicContact CB-CE1 4.48Å; L31-Y56 HydrophobicContact CB-CE2 4.37Å; L31-Y56 HydrophobicContact CB-CG 3.98Å; L31-Y56 HydrophobicContact CD1-CD1 3.99Å; L31-Y56 HydrophobicContact CD1-CG 4.04Å; S32-Y56 WeakPolarHBondContact OG-CE2 3.49Å; G53-Y56 PolarHBondContact O-N 3.02Å; Y56-G58 PolarHBondContact O-N 3.37Å; Y56-R59 PolarHBondContact O-N 3.47Å; Y56-H60 PolarHBondContact O-N 3.07Å; Y56-H60 VanDerWaalsContact O-N 3.13Å; Y56-I360 HydrophobicContact CD1-CD1 4.45Å; Y56-I360 HydrophobicContact CE1-CD1 3.79Å
57V94Very high92.7Very high0 Ų039.9 Ų39.90%022%0.224CC..Hα-helixtrans-57.5-34.818068.20000112.6Y43 F52 G53 R59 H60 H61 Y69 L123Y43-V57 HydrophobicContact CD1-CG2 4.32Å; Y43-V57 HydrophobicContact CD2-CB 4.15Å; Y43-V57 HydrophobicContact CD2-CG1 4.01Å; Y43-V57 HydrophobicContact CD2-CG2 4.47Å; Y43-V57 HydrophobicContact CE2-CG1 4.28Å; Y43-V57 HydrophobicContact CG-CB 4.09Å; Y43-V57 HydrophobicContact CG-CG1 4.2Å; Y43-V57 HydrophobicContact CG-CG2 3.91Å; F52-V57 HydrophobicContact CB-CB 4.16Å; G53-V57 PolarHBondContact O-N 2.51Å; G53-V57 VanDerWaalsContact O-N 3.07Å; V57-R59 PolarHBondContact O-N 3.17Å; V57-H60 PolarHBondContact O-N 3.39Å; V57-H61 PolarHBondContact O-N 2.99Å; V57-Y69 HydrophobicContact CG2-CD1 3.82Å; V57-Y69 HydrophobicContact CG2-CD2 4.21Å; V57-Y69 HydrophobicContact CG2-CE1 3.74Å; V57-Y69 HydrophobicContact CG2-CE2 4.16Å; V57-Y69 HydrophobicContact CG2-CG 4.07Å; V57-L123 HydrophobicContact CG1-CD2 4.37Å; V57-L123 HydrophobicContact CG2-CD1 3.78Å; V57-L123 HydrophobicContact CG2-CD2 4.41Å
58G92.4Very high92.7Very high31 Ų3137.5 Ų37.532%0.3221%0.212SC..Hα-helixtrans-63.4-39.7175.400000113.1Y56 H61 A62Y56-G58 PolarHBondContact O-N 3.37Å; G58-H61 PolarHBondContact O-N 3.06Å; G58-A62 WeakPolarHBondContact O-CB 3.34Å; G58-A62 PolarHBondContact O-N 2.66Å
59R91.3Very high92.9Very high81 Ų8134.9 Ų34.931%0.30620%0.196SC..Hα-helixtrans-66.5-44.5175.7-64.1-167-170-175.95.5110.9Y56 V57 H61 A62 R63 D357Y56-R59 PolarHBondContact O-N 3.47Å; V57-R59 PolarHBondContact O-N 3.17Å; R59-H61 VanDerWaalsContact C-N 3.34Å; R59-H61 PolarHBondContact O-N 3.18Å; R59-A62 PolarHBondContact O-N 3.45Å; R59-R63 VanDerWaalsContact O-CG 3.29Å; R59-R63 WeakPolarHBondContact O-CG 3.32Å; R59-R63 PolarHBondContact O-N 2.7Å; R59-D357 IonicContact CZ-OD1 2.71Å; R59-D357 VanDerWaalsContact CZ-OD1 3.23Å; R59-D357 IonicContact NH1-OD1 2.77Å; R59-D357 PolarHBondContact NH1-OD1 2.83Å; R59-D357 IonicContact NH2-OD1 3.78Å; R59-D357 PolarHBondContact NH2-OD1 2.91Å
60H93.3Very high92.9Very high15 Ų1534.7 Ų34.77%0.06920%0.195CC..Hα-helixtrans-60.1-43.7176.2178.8-92.9000111.8F52 Y56 V57 R63 T64 Y69F52-H60 HydrophobicContact CD1-CB 4.2Å; F52-H60 HydrophobicContact CD2-CB 4.19Å; F52-H60 AromaticContact CD2-CG 3.99Å; F52-H60 HydrophobicContact CE1-CB 4.11Å; F52-H60 AromaticContact CE1-CD2 3.89Å; F52-H60 HydrophobicContact CE2-CB 4.08Å; F52-H60 AromaticContact CE2-CD2 3.37Å; F52-H60 WeakPolarHBondContact CE2-CD2 3.43Å; F52-H60 AromaticContact CE2-CE1 3.93Å; F52-H60 AromaticContact CE2-CG 3.49Å; F52-H60 VanDerWaalsContact CE2-CG 3.49Å; F52-H60 AromaticContact CE2-ND1 3.85Å; F52-H60 AromaticContact CE2-NE2 3.65Å; F52-H60 HydrophobicContact CG-CB 4.25Å; F52-H60 HydrophobicContact CZ-CB 4.06Å; F52-H60 AromaticContact CZ-CD2 3.12Å; F52-H60 WeakPolarHBondContact CZ-CD2 3.5Å; F52-H60 AromaticContact CZ-CG 3.6Å; F52-H60 AromaticContact CZ-NE2 3.71Å; Y56-H60 PolarHBondContact O-N 3.07Å; Y56-H60 VanDerWaalsContact O-N 3.13Å; V57-H60 PolarHBondContact O-N 3.39Å; H60-R63 PolarHBondContact O-N 3.42Å; H60-T64 PolarHBondContact CE1-OG1 3.24Å; H60-T64 WeakPolarHBondContact O-CB 3.41Å; H60-T64 PolarHBondContact O-N 2.76Å; H60-T64 PolarHBondContact O-OG1 2.88Å; H60-Y69 AromaticContact ND1-CE1 3.58Å; H60-Y69 AromaticContact ND1-CZ 3.62Å; H60-Y69 PolarHBondContact ND1-OH 3.18Å
61H92.9Very high92.9Very high38 Ų3835.3 Ų35.318%0.17620%0.197CC..Hα-helixtrans-58.8-49174.6170.755.9000112.1V57 G58 R59 R63 G65 Q66 L123V57-H61 PolarHBondContact O-N 2.99Å; G58-H61 PolarHBondContact O-N 3.06Å; R59-H61 VanDerWaalsContact C-N 3.34Å; R59-H61 PolarHBondContact O-N 3.18Å; H61-R63 VanDerWaalsContact C-N 3.26Å; H61-R63 PolarHBondContact O-N 3.22Å; H61-G65 VanDerWaalsContact O-CA 3.26Å; H61-G65 WeakPolarHBondContact O-CA 3.5Å; H61-G65 PolarHBondContact O-N 3.45Å; H61-Q66 PolarHBondContact ND1-O 3.5Å; H61-L123 HydrophobicContact CB-CB 4.32Å; H61-L123 HydrophobicContact CB-CD2 3.96Å
62A91.5Very high92.8Very high83 Ų8335.4 Ų35.469%0.68620%0.198SC*.Hα-helixtrans-60.7-35.5-179.700000112.8G58 R59G58-A62 WeakPolarHBondContact O-CB 3.34Å; G58-A62 PolarHBondContact O-N 2.66Å; R59-A62 PolarHBondContact O-N 3.45Å
63R88.7Confident92.6Very high118 Ų11836.8 Ų36.845%0.44521%0.206SC..Hα-helixtrans-81.8-42.1-177.5-67.1-178.168.8-147.2-17.1113.6R59 H60 H61 I360 D361 A363R59-R63 VanDerWaalsContact O-CG 3.29Å; R59-R63 WeakPolarHBondContact O-CG 3.32Å; R59-R63 PolarHBondContact O-N 2.7Å; H60-R63 PolarHBondContact O-N 3.42Å; H61-R63 VanDerWaalsContact C-N 3.26Å; H61-R63 PolarHBondContact O-N 3.22Å; R63-I360 PolarHBondContact NH1-O 3.38Å; R63-D361 PolarHBondContact NE-O 2.89Å; R63-D361 PolarHBondContact NH2-O 2.98Å; R63-A363 PolarHBondContact NH1-O 3.45Å; R63-A363 PolarHBondContact NH2-O 2.7Å
64T89.4Confident92.3Very high71 Ų7139.3 Ų39.344%0.43622%0.216SC..Hα-helixtrans-100.2-15.8-172.164.10000113.6H60 Q66H60-T64 PolarHBondContact CE1-OG1 3.24Å; H60-T64 WeakPolarHBondContact O-CB 3.41Å; H60-T64 PolarHBondContact O-N 2.76Å; H60-T64 PolarHBondContact O-OG1 2.88Å; T64-Q66 PolarHBondContact O-N 3.49Å; T64-Q66 VanDerWaalsContact OG1-CB 3.31Å; T64-Q66 WeakPolarHBondContact OG1-CB 3.45Å; T64-Q66 PolarHBondContact OG1-N 3.11Å
65G90.8Very high91.9Very high49 Ų4941.7 Ų41.751%0.50523%0.229SC..  trans72.40.8-169.100000113.9H61 R67H61-G65 VanDerWaalsContact O-CA 3.26Å; H61-G65 WeakPolarHBondContact O-CA 3.5Å; H61-G65 PolarHBondContact O-N 3.45Å; G65-R67 PolarHBondContact O-N 3.27Å
66Q92.5Very high91.1Very high10 Ų1043.5 Ų43.55%0.04723%0.231CC..  trans-65.7130.9-179.6179.166.520.100111T14 H61 T64 A68 Y69T14-Q66 PolarHBondContact OG1-NE2 3.42Å; H61-Q66 PolarHBondContact ND1-O 3.5Å; T64-Q66 PolarHBondContact O-N 3.49Å; T64-Q66 VanDerWaalsContact OG1-CB 3.31Å; T64-Q66 WeakPolarHBondContact OG1-CB 3.45Å; T64-Q66 PolarHBondContact OG1-N 3.11Å; Q66-A68 PolarHBondContact NE2-O 3.38Å; Q66-Y69 WeakPolarHBondContact CB-OH 3.4Å; Q66-Y69 HydrophobicContact CG-CE1 4.25Å; Q66-Y69 HydrophobicContact CG-CE2 4.1Å; Q66-Y69 VanDerWaalsContact O-CE2 3.32Å; Q66-Y69 WeakPolarHBondContact O-CE2 3.46Å; Q66-Y69 PolarHBondContact O-OH 3.13Å
67R93.5Very high89.9Confident69 Ų6947.8 Ų47.826%0.2625%0.25SS..  trans-112.8-33.5-175.5-67.8-179.571.5-165.25.2114.6V7 V11 G65 Y69 I122 L123V7-R67 VanDerWaalsContact CG1-NH2 3.28Å; V11-R67 HydrophobicContact CG1-CB 3.7Å; V11-R67 HydrophobicContact CG1-CG 4.3Å; G65-R67 PolarHBondContact O-N 3.27Å; R67-Y69 VanDerWaalsContact O-CD2 3.27Å; R67-Y69 WeakPolarHBondContact O-CD2 3.28Å; R67-Y69 WeakPolarHBondContact O-CE2 3.04Å; R67-I122 HydrophobicContact CB-CG2 4.1Å; R67-I122 WeakPolarHBondContact O-CA 3.41Å; R67-L123 PolarHBondContact NE-O 2.95Å; R67-L123 PolarHBondContact NH2-O 2.85Å; R67-L123 PolarHBondContact O-N 3.3Å
68A93.8Very high88Confident0 Ų052.1 Ų52.10%029%0.287CS..EExtended strand (participates in β ladder)trans-93.2125.6-176.200000112V11 I15 M46 Q66V11-A68 HydrophobicContact CG2-CB 4.07Å; I15-A68 HydrophobicContact CD1-CB 4.09Å; I15-A68 HydrophobicContact CG1-CB 3.94Å; M46-A68 PolarHBondContact N-O 3.02Å; M46-A68 HydrophobicContact SD-CB 4.26Å; Q66-A68 PolarHBondContact NE2-O 3.38Å
69Y95.8Very high85.9Confident0 Ų058.5 Ų58.50%031%0.306CS..EExtended strand (participates in β ladder)trans-134.8147.2179.6-59.8-98.9000110.8V44 C45 F52 V57 H60 Q66 R67 V120 V121 L123V44-Y69 CarbonylContact O-C 3.23Å; V44-Y69 VanDerWaalsContact O-CA 3.28Å; V44-Y69 WeakPolarHBondContact O-CA 3.44Å; C45-Y69 HydrophobicContact CB-CD1 4.18Å; C45-Y69 HydrophobicContact CB-CE1 4.06Å; F52-Y69 HydrophobicContact CD2-CE1 4.46Å; V57-Y69 HydrophobicContact CG2-CD1 3.82Å; V57-Y69 HydrophobicContact CG2-CD2 4.21Å; V57-Y69 HydrophobicContact CG2-CE1 3.74Å; V57-Y69 HydrophobicContact CG2-CE2 4.16Å; V57-Y69 HydrophobicContact CG2-CG 4.07Å; H60-Y69 AromaticContact ND1-CE1 3.58Å; H60-Y69 AromaticContact ND1-CZ 3.62Å; H60-Y69 PolarHBondContact ND1-OH 3.18Å; Q66-Y69 WeakPolarHBondContact CB-OH 3.4Å; Q66-Y69 HydrophobicContact CG-CE1 4.25Å; Q66-Y69 HydrophobicContact CG-CE2 4.1Å; Q66-Y69 VanDerWaalsContact O-CE2 3.32Å; Q66-Y69 WeakPolarHBondContact O-CE2 3.46Å; Q66-Y69 PolarHBondContact O-OH 3.13Å; R67-Y69 VanDerWaalsContact O-CD2 3.27Å; R67-Y69 WeakPolarHBondContact O-CD2 3.28Å; R67-Y69 WeakPolarHBondContact O-CE2 3.04Å; Y69-V120 WeakPolarHBondContact O-CA 3.34Å; Y69-V121 PolarHBondContact N-O 3.48Å; Y69-V121 PolarHBondContact O-N 2.72Å; Y69-L123 HydrophobicContact CD2-CD1 3.35Å; Y69-L123 HydrophobicContact CE2-CB 4.48Å; Y69-L123 HydrophobicContact CE2-CD1 3.46Å; Y69-L123 VanDerWaalsContact CE2-CD1 3.46Å; Y69-L123 HydrophobicContact CE2-CG 4.49Å; Y69-L123 HydrophobicContact CG-CD1 4.27Å
70L94.7Very high83.4Confident0 Ų063.8 Ų63.80%033%0.331CS..EExtended strand (participates in β ladder)trans-91.6112167.1-170.968.1000108.6Y43 V44 M46 I72 V118 K119 V120 M149 I152 M153Y43-L70 CarbonylContact C-O 3.57Å; Y43-L70 WeakPolarHBondContact CA-O 3.31Å; V44-L70 HydrophobicContact CB-CB 4.3Å; V44-L70 PolarHBondContact N-O 2.8Å; V44-L70 PolarHBondContact O-N 3.25Å; M46-L70 HydrophobicContact CG-CB 4.33Å; L70-I72 HydrophobicContact CD2-CD1 4.27Å; L70-I72 HydrophobicContact CD2-CG1 4.36Å; L70-I72 HydrophobicContact CG-CG1 4.25Å; L70-V118 HydrophobicContact CD1-CG1 3.47Å; L70-V118 VanDerWaalsContact CD1-CG1 3.47Å; L70-V118 HydrophobicContact CD2-CG1 4.03Å; L70-V118 HydrophobicContact CG-CG1 3.8Å; L70-K119 CarbonylContact C-O 3.59Å; L70-V120 HydrophobicContact CD1-CG2 4.09Å; L70-M149 HydrophobicContact CD1-CB 4.39Å; L70-M149 HydrophobicContact CD1-CE 4.08Å; L70-M149 HydrophobicContact CD1-CG 3.77Å; L70-I152 HydrophobicContact CB-CD1 4.38Å; L70-I152 HydrophobicContact CD2-CB 3.84Å; L70-I152 HydrophobicContact CD2-CD1 4.13Å; L70-I152 HydrophobicContact CD2-CG2 3.57Å; L70-M153 HydrophobicContact CD2-CG 4.4Å; L70-M153 HydrophobicContact CD2-SD 4.32Å
71H95.6Very high80.8Confident19 Ų1971.7 Ų71.79%0.08837%0.368CS..EExtended strand (participates in β ladder)trans-87.9125.9175.9-176.2-132.2000109.9G40 I42 Y43 V118 K119 V121G40-H71 PolarHBondContact O-NE2 3.48Å; I42-H71 CarbonylContact O-C 3.57Å; I42-H71 WeakPolarHBondContact O-CA 3.46Å; I42-H71 PolarHBondContact O-CD2 3.09Å; Y43-H71 HydrophobicContact CD1-CB 3.94Å; Y43-H71 AromaticContact CD1-CD2 3.84Å; Y43-H71 AromaticContact CD2-CD2 3.88Å; Y43-H71 HydrophobicContact CE1-CB 3.86Å; Y43-H71 AromaticContact CE1-CD2 3.51Å; Y43-H71 AromaticContact CE1-CG 3.69Å; Y43-H71 AromaticContact CE2-CD2 3.55Å; Y43-H71 AromaticContact CE2-NE2 3.79Å; Y43-H71 AromaticContact CZ-CD2 3.36Å; Y43-H71 AromaticContact CZ-CG 3.92Å; Y43-H71 AromaticContact CZ-NE2 3.63Å; H71-V118 WeakPolarHBondContact O-CA 3.29Å; H71-K119 PolarHBondContact N-O 3.3Å; H71-K119 PolarHBondContact O-N 3.49Å; H71-V121 HydrophobicContact CB-CB 4.49Å; H71-V121 HydrophobicContact CB-CG2 3.6Å
72I92.7Very high77.9Confident1 Ų176.8 Ų76.81%0.00540%0.396CS..EExtended strand (participates in β ladder)trans-124.5126.1-177.4-53.1171.3000108.2K26 P36 G41 I42 V44 L70 V118 M153K26-I72 HydrophobicContact CB-CD1 4Å; P36-I72 HydrophobicContact CB-CG2 4.12Å; P36-I72 HydrophobicContact CG-CG2 4.32Å; G41-I72 WeakPolarHBondContact CA-O 3.23Å; I42-I72 HydrophobicContact CG2-CB 3.91Å; I42-I72 PolarHBondContact N-O 3.12Å; I42-I72 PolarHBondContact O-N 3.49Å; V44-I72 HydrophobicContact CG2-CD1 3.89Å; L70-I72 HydrophobicContact CD2-CD1 4.27Å; L70-I72 HydrophobicContact CD2-CG1 4.36Å; L70-I72 HydrophobicContact CG-CG1 4.25Å; I72-V118 HydrophobicContact CG1-CG1 4.45Å; I72-V118 HydrophobicContact CG1-CG2 4.5Å; I72-V118 HydrophobicContact CG2-CG2 4.37Å; I72-M153 HydrophobicContact CD1-SD 3.87Å; I72-M153 HydrophobicContact CG1-SD 4.31Å
73T91.4Very high75.3Confident31 Ų3181.8 Ų81.819%0.1941%0.406CS..EExtended strand (participates in β ladder)trans-127.3135.3173.645.10000110.5P36 E116 D117P36-T73 CarbonylContact O-C 3.52Å; P36-T73 WeakPolarHBondContact O-CA 3.26Å; T73-E116 WeakPolarHBondContact O-CA 3.32Å; T73-D117 PolarHBondContact N-O 3.06Å; T73-D117 PolarHBondContact O-N 3.41Å; T73-D117 PolarHBondContact OG1-O 2.87Å
74R87.5Confident72.8Confident53 Ų5383.4 Ų83.420%0.242%0.423CS..EExtended strand (participates in β ladder)trans-116.5125.4177.1-73.1-176.3178.2148.11.4109.8D27 P36 E37 Y114 E115 E116D27-R74 IonicContact OD1-CZ 3.51Å; D27-R74 IonicContact OD1-NH1 3.65Å; D27-R74 PolarHBondContact OD1-NH1 3.32Å; D27-R74 VanDerWaalsContact OD1-NH1 3.09Å; D27-R74 IonicContact OD1-NH2 3.28Å; P36-R74 HydrophobicContact CB-CB 4Å; P36-R74 HydrophobicContact CB-CG 3.6Å; P36-R74 PolarHBondContact O-N 3.04Å; E37-R74 HydrophobicContact CG-CB 3.82Å; R74-Y114 HydrophobicContact CB-CD1 4.19Å; R74-E115 WeakPolarHBondContact CA-O 3.46Å; R74-E116 HydrophobicContact CG-CG 4.09Å; R74-E116 IonicContact CZ-OE1 2.7Å; R74-E116 IonicContact NE-OE1 2.7Å; R74-E116 PolarHBondContact NE-OE1 2.95Å; R74-E116 IonicContact NH2-OE1 2.74Å; R74-E116 PolarHBondContact NH2-OE1 3.08Å
75T83Confident70.1Confident86 Ų8685.2 Ų85.253%0.52843%0.43SS..EExtended strand (participates in β ladder)trans-119.9131.217353.40000110.4K77 E115T75-K77 PolarHBondContact O-N 3.15Å; T75-E115 PolarHBondContact N-O 3.43Å; T75-E115 PolarHBondContact O-N 3.13Å
76R74.9Confident67.5Low139 Ų13988.7 Ų88.753%0.52545%0.447SS..EExtended strand (participates in β ladder)trans-69.1125.8178.9-167.5175.6-179.3-157.82.7109.8E112 Y114R76-E112 IonicContact CZ-OE1 3.54Å; R76-E112 IonicContact NE-OE1 3.79Å; R76-E112 PolarHBondContact NE-OE1 2.89Å; R76-E112 IonicContact NE-OE2 2.79Å; R76-E112 IonicContact NH2-OE1 2.72Å; R76-E112 PolarHBondContact NH2-OE1 3.41Å; R76-Y114 HydrophobicContact CB-CD1 4.32Å; R76-Y114 HydrophobicContact CB-CE1 4.01Å; R76-Y114 HydrophobicContact CG-CE1 4.35Å
77K68.7Low64.8Low109 Ų10990.8 Ų90.847%0.47447%0.471SS..PPolyproline II helixtrans-73.1132.2171.5-71.5-174.1173.5177.90109.7T75 K79 L113 E115T75-K77 PolarHBondContact O-N 3.15Å; K77-K79 PolarHBondContact O-N 2.91Å; K77-L113 HydrophobicContact CB-CB 4.2Å; K77-L113 WeakPolarHBondContact CB-O 3.31Å; K77-L113 HydrophobicContact CD-CB 4.33Å; K77-L113 WeakPolarHBondContact CG-O 3.49Å; K77-L113 PolarHBondContact N-O 3.05Å; K77-E115 WeakPolarHBondContact CE-OE2 3.42Å; K77-E115 HydrophobicContact CG-CB 4.33Å; K77-E115 IonicContact NZ-OE2 3.13Å
78A53.2Low61.9Low92 Ų9293 Ų9376%0.7650%0.496SS*.PPolyproline II helixtrans-61.6131.9165.200000108.9K80A78-K80 PolarHBondContact O-N 3.45Å; A78-K80 VanDerWaalsContact O-N 3.07Å
79K49.2Very low59Low165 Ų16596.7 Ų96.772%0.71754%0.535SS*.PPolyproline II helixtrans-57.4117167.1-83.2-179.4179.1172.50106.4K77 E81 E110K77-K79 PolarHBondContact O-N 2.91Å; K79-E81 PolarHBondContact O-N 3.01Å; K79-E110 IonicContact NZ-OE1 3.23Å; K79-E110 IonicContact NZ-OE2 2.71Å; K79-E110 PolarHBondContact NZ-OE2 2.85Å
80K38Very low55.9Low191 Ų191104.3 Ų104.383%0.8357%0.57SS**PPolyproline II helixtrans-64.1118.1161.8-81.1-175.6175.8-179.30105.7A78 D82A78-K80 PolarHBondContact O-N 3.45Å; A78-K80 VanDerWaalsContact O-N 3.07Å; K80-D82 PolarHBondContact O-N 3.31Å
81E38.5Very low52.7Low181 Ų181109.2 Ų109.285%0.84660%0.602SS**  trans-59.8110.6162.6-71.9-174.6153.600106.7K79 E83K79-E81 PolarHBondContact O-N 3.01Å; E81-E83 PolarHBondContact O-N 3.25Å
82D32.4Very low49.7Very low146 Ų146114.3 Ų114.378%0.78164%0.637SS**  trans-66.699.4168.8-82.7-34000107.5K80 N84K80-D82 PolarHBondContact O-N 3.31Å; D82-N84 PolarHBondContact O-N 3.02Å
83E37.3Very low47.1Very low188 Ų188123.2 Ų123.288%0.87968%0.676SS**SBendtrans-63.720.6170.3-82-166.114300113.8E81E81-E83 PolarHBondContact O-N 3.25Å
84N35.8Very low44.4Very low151 Ų151131.2 Ų131.281%0.80771%0.708SS**  trans-142.765.9-178.5-96.2-23.2000112.5D82D82-N84 PolarHBondContact O-N 3.02Å
85N33.4Very low41.9Very low110 Ų110135.9 Ų135.959%0.58873%0.729SS**  trans-145.260.8156.8-141.46.9000114.3G87N85-G87 PolarHBondContact O-N 3.25Å
86S36.6Very low39.4Very low122 Ų122134.5 Ų134.585%0.85372%0.722SS**  trans-80.6100151.856.40000109.3
87G35.8Very low37.4Very low54 Ų54130.3 Ų130.356%0.55771%0.712SS**SBendtrans112.3130.6156.800000117N85N85-G87 PolarHBondContact O-N 3.25Å
88S31.2Very low35.7Very low114 Ų114132.3 Ų132.380%0.79772%0.717SS**  trans93.9129.7169.180.20000116.9
89G33.9Very low34.7Very low79 Ų79133.8 Ų133.881%0.81471%0.711SS**PPolyproline II helixtrans-69.4141.3-159.800000115.4
90H29.1Very low33.9Very low160 Ų160126.5 Ų126.574%0.74168%0.682SS**PPolyproline II helixtrans-72142.3164.7-81.2-76.8000111
91P29.2Very low33.6Very low102 Ų102121.3 Ų121.366%0.66266%0.662SS**PPolyproline II helixtrans-64152.5162.3-0.715.2000109.6K93P91-K93 PolarHBondContact O-N 3.19Å
92P32.2Very low33.5Very low127 Ų127115.7 Ų115.783%0.82565%0.652SS**PPolyproline II helixtrans-60.9127178.424-30.6000110.1K94P92-K94 PolarHBondContact O-N 2.98Å
93K37.5Very low33.7Very low187 Ų187112.4 Ų112.481%0.81363%0.634SS**PPolyproline II helixtrans-52.6132.7170.9-69.1-177.7176.8-176.70108.3P91 K95P91-K93 PolarHBondContact O-N 3.19Å; K93-K95 PolarHBondContact O-N 3.35Å
94K36Very low33.5Very low200 Ų200112.3 Ų112.387%0.8763%0.634SS**PPolyproline II helixtrans-51.9125.6175.6-81-178.5173.7-177.50108.6P92P92-K94 PolarHBondContact O-N 2.98Å
95K33.2Very low33.6Very low150 Ų150106.5 Ų106.565%0.65261%0.61SS**PPolyproline II helixtrans-64.7134.2174.6-73.7177.5179.7173.90107.9K93 T97 E285K93-K95 PolarHBondContact O-N 3.35Å; K95-T97 WeakPolarHBondContact O-CG2 3.29Å; K95-E285 IonicContact NZ-OE2 2.86Å; K95-E285 PolarHBondContact NZ-OE2 3.49Å
96P32Very low33.6Very low58 Ų58101.6 Ų101.638%0.37759%0.585SS.*PPolyproline II helixtrans-64.5137.517726.6-32.9000110.1G105 G106 F107P96-G105 CarbonylContact C-O 3.55Å; P96-G106 VanDerWaalsContact CB-C 3.49Å; P96-G106 VanDerWaalsContact CB-O 3.22Å; P96-G106 WeakPolarHBondContact CB-O 3.27Å; P96-F107 HydrophobicContact CB-CB 4.45Å; P96-F107 HydrophobicContact CB-CD1 4.35Å; P96-F107 HydrophobicContact CB-CD2 4.08Å; P96-F107 HydrophobicContact CB-CE2 4.38Å; P96-F107 HydrophobicContact CB-CG 4.05Å; P96-F107 HydrophobicContact CG-CD1 3.76Å; P96-F107 HydrophobicContact CG-CD2 4.18Å; P96-F107 HydrophobicContact CG-CE1 3.79Å; P96-F107 HydrophobicContact CG-CE2 4.18Å; P96-F107 HydrophobicContact CG-CG 3.97Å; P96-F107 HydrophobicContact CG-CZ 4.01Å
97T31.7Very low33.3Very low51 Ų51100.5 Ų100.531%0.31357%0.565SS.*  trans-106.4-11.8-170.268.10000113K95 G105 D252K95-T97 WeakPolarHBondContact O-CG2 3.29Å; T97-G105 CarbonylContact C-O 3.58Å; T97-G105 VanDerWaalsContact CA-O 3.3Å; T97-G105 WeakPolarHBondContact CA-O 3.36Å; T97-G105 PolarHBondContact N-O 3.29Å; T97-G105 WeakPolarHBondContact OG1-CA 3.48Å; T97-G105 PolarHBondContact OG1-O 3.5Å; T97-D252 VanDerWaalsContact CB-CB 3.5Å; T97-D252 VanDerWaalsContact CB-OD1 3.25Å; T97-D252 WeakPolarHBondContact CB-OD1 3.03Å; T97-D252 VanDerWaalsContact CB-OD2 3.23Å; T97-D252 WeakPolarHBondContact CB-OD2 3.08Å; T97-D252 HydrophobicContact CG2-CB 4.11Å; T97-D252 WeakPolarHBondContact CG2-OD1 3.22Å; T97-D252 WeakPolarHBondContact CG2-OD2 2.97Å
98R33.2Very low33.2Very low151 Ų151105 Ų10557%0.5758%0.576SS**SBendtrans-134.2139.7175.9-64.2-177.6175.3176.1-3.4110A100 I103 G105 G106R98-A100 PolarHBondContact O-N 3.25Å; R98-I103 HydrophobicContact CB-CD1 4.08Å; R98-I103 HydrophobicContact CG-CD1 4.44Å; R98-G105 PolarHBondContact N-O 3.07Å; R98-G106 WeakPolarHBondContact O-CA 3.24Å
99L32.2Very low33.5Very low123 Ų123103.1 Ų103.164%0.64456%0.56SS**SBendtrans-76.259.8170.1-81.2155.2000110.2F107 W167L99-F107 HydrophobicContact CD2-CE2 3.6Å; L99-F107 HydrophobicContact CD2-CZ 4.18Å; L99-F107 HydrophobicContact CG-CE2 4.17Å; L99-W167 WeakPolarHBondContact O-CZ3 3.47Å
100A32.8Very low33.5Very low12 Ų12105.6 Ų105.610%0.09955%0.55CS.*  trans-144.1139.7178.200000109R98 I103 G106 F107 W167R98-A100 PolarHBondContact O-N 3.25Å; A100-I103 HydrophobicContact CB-CD1 3.32Å; A100-I103 HydrophobicContact CB-CG1 3.57Å; A100-G106 CarbonylContact O-C 3.57Å; A100-G106 VanDerWaalsContact O-C 3.31Å; A100-G106 WeakPolarHBondContact O-CA 3.4Å; A100-F107 PolarHBondContact O-N 2.88Å; A100-W167 HydrophobicContact CB-CE3 4.4Å
101I32.2Very low34Very low82 Ų82105.6 Ų105.642%0.42155%0.55SS.*BIsolated β-bridgetrans-89.3124.7179.6-72.6174.6000108.5F107 V109 W167I101-F107 HydrophobicContact CG1-CB 4.37Å; I101-V109 HydrophobicContact CB-CG2 3.98Å; I101-V109 HydrophobicContact CD1-CG2 3.63Å; I101-V109 HydrophobicContact CG1-CG2 3.61Å; I101-V109 HydrophobicContact CG2-CB 4.08Å; I101-V109 HydrophobicContact CG2-CG2 3.27Å; I101-W167 HydrophobicContact CB-CH2 4.12Å; I101-W167 HydrophobicContact CB-CZ2 3.91Å; I101-W167 HydrophobicContact CD1-CH2 3.51Å; I101-W167 HydrophobicContact CD1-CZ2 3.65Å; I101-W167 HydrophobicContact CG1-CH2 3.57Å; I101-W167 HydrophobicContact CG1-CZ2 3.81Å; I101-W167 HydrophobicContact CG1-CZ3 4.44Å
102G36.4Very low34.8Very low62 Ų62104.8 Ų104.864%0.63954%0.538SS*.SBendtrans84.812.9169.700000117.3
103I35.4Very low35.8Very low78 Ų78104.3 Ų104.340%0.453%0.528SS..SBendtrans-105.3160.4171.263.7168.7000111.5R98 A100 G105 G106R98-I103 HydrophobicContact CB-CD1 4.08Å; R98-I103 HydrophobicContact CG-CD1 4.44Å; A100-I103 HydrophobicContact CB-CD1 3.32Å; A100-I103 HydrophobicContact CB-CG1 3.57Å; I103-G105 PolarHBondContact O-N 3.24Å; I103-G105 VanDerWaalsContact O-N 3.08Å; I103-G106 PolarHBondContact O-N 3.27Å
104E33.8Very low37.2Very low186 Ų18699.2 Ų99.287%0.86950%0.504SS*.THydrogen-bonded Turntrans-60.1114.3174.6-164.2173.9-173.100109.8
105G37.3Very low39.3Very low29 Ų2994.8 Ų94.830%0.29949%0.486SS..THydrogen-bonded Turntrans91.9-0.6-171.900000115.7P96 T97 R98 I103P96-G105 CarbonylContact C-O 3.55Å; T97-G105 CarbonylContact C-O 3.58Å; T97-G105 VanDerWaalsContact CA-O 3.3Å; T97-G105 WeakPolarHBondContact CA-O 3.36Å; T97-G105 PolarHBondContact N-O 3.29Å; T97-G105 WeakPolarHBondContact OG1-CA 3.48Å; T97-G105 PolarHBondContact OG1-O 3.5Å; R98-G105 PolarHBondContact N-O 3.07Å; I103-G105 PolarHBondContact O-N 3.24Å; I103-G105 VanDerWaalsContact O-N 3.08Å
106G34.1Very low41.7Very low6 Ų691.9 Ų91.96%0.06248%0.475CS..SBendtrans-78178.8178.700000115.5P96 R98 A100 I103 D108P96-G106 VanDerWaalsContact CB-C 3.49Å; P96-G106 VanDerWaalsContact CB-O 3.22Å; P96-G106 WeakPolarHBondContact CB-O 3.27Å; R98-G106 WeakPolarHBondContact O-CA 3.24Å; A100-G106 CarbonylContact O-C 3.57Å; A100-G106 VanDerWaalsContact O-C 3.31Å; A100-G106 WeakPolarHBondContact O-CA 3.4Å; I103-G106 PolarHBondContact O-N 3.27Å; G106-D108 PolarHBondContact O-N 2.98Å
107F31.1Very low44.4Very low99 Ų9992.4 Ų92.443%0.43448%0.475SS..BIsolated β-bridgetrans-62114.7163.5-77.3-99.4000108.9P96 L99 A100 I101 V109P96-F107 HydrophobicContact CB-CB 4.45Å; P96-F107 HydrophobicContact CB-CD1 4.35Å; P96-F107 HydrophobicContact CB-CD2 4.08Å; P96-F107 HydrophobicContact CB-CE2 4.38Å; P96-F107 HydrophobicContact CB-CG 4.05Å; P96-F107 HydrophobicContact CG-CD1 3.76Å; P96-F107 HydrophobicContact CG-CD2 4.18Å; P96-F107 HydrophobicContact CG-CE1 3.79Å; P96-F107 HydrophobicContact CG-CE2 4.18Å; P96-F107 HydrophobicContact CG-CG 3.97Å; P96-F107 HydrophobicContact CG-CZ 4.01Å; L99-F107 HydrophobicContact CD2-CE2 3.6Å; L99-F107 HydrophobicContact CD2-CZ 4.18Å; L99-F107 HydrophobicContact CG-CE2 4.17Å; A100-F107 PolarHBondContact O-N 2.88Å; I101-F107 HydrophobicContact CG1-CB 4.37Å; F107-V109 VanDerWaalsContact C-N 3.3Å; F107-V109 PolarHBondContact O-N 2.88Å
108D33Very low47.1Very low149 Ų14991.8 Ų91.880%0.79747%0.471SS*.  trans-65.693.2164.6-82.1-28.6000107.7G106 E110G106-D108 PolarHBondContact O-N 2.98Å; D108-E110 PolarHBondContact O-N 3.18Å
109V36.5Very low49.9Very low75 Ų7587.7 Ų87.746%0.45546%0.457SS..  trans-60.5132.8160.7176.30000105.8I101 F107 Q111I101-V109 HydrophobicContact CB-CG2 3.98Å; I101-V109 HydrophobicContact CD1-CG2 3.63Å; I101-V109 HydrophobicContact CG1-CG2 3.61Å; I101-V109 HydrophobicContact CG2-CB 4.08Å; I101-V109 HydrophobicContact CG2-CG2 3.27Å; F107-V109 VanDerWaalsContact C-N 3.3Å; F107-V109 PolarHBondContact O-N 2.88Å; V109-Q111 PolarHBondContact O-N 3.45Å
110E34.8Very low52.8Low131 Ų13182 Ų8261%0.61243%0.427SS*.  trans-50.9100165.9-67-164.7161.400106.7K79 D108 E112K79-E110 IonicContact NZ-OE1 3.23Å; K79-E110 IonicContact NZ-OE2 2.71Å; K79-E110 PolarHBondContact NZ-OE2 2.85Å; D108-E110 PolarHBondContact O-N 3.18Å; E110-E112 VanDerWaalsContact C-N 3.34Å; E110-E112 PolarHBondContact O-N 3.26Å
111Q38.7Very low55.6Low159 Ų15981.5 Ų81.574%0.74342%0.423SS*.  trans-62.2106-177.7-80.9-178.5-7.100105.6V109 L113V109-Q111 PolarHBondContact O-N 3.45Å; Q111-L113 PolarHBondContact O-N 2.62Å
112E46.6Very low58.5Low86 Ų8677.7 Ų77.740%0.40240%0.404SS..  trans-57.4110.8164.6-66.7-176.5158.600105.3R76 E110 Y114R76-E112 IonicContact CZ-OE1 3.54Å; R76-E112 IonicContact NE-OE1 3.79Å; R76-E112 PolarHBondContact NE-OE1 2.89Å; R76-E112 IonicContact NE-OE2 2.79Å; R76-E112 IonicContact NH2-OE1 2.72Å; R76-E112 PolarHBondContact NH2-OE1 3.41Å; E110-E112 VanDerWaalsContact C-N 3.34Å; E110-E112 PolarHBondContact O-N 3.26Å; E112-Y114 HydrophobicContact CB-CD2 4.25Å; E112-Y114 HydrophobicContact CB-CE2 3.56Å; E112-Y114 WeakPolarHBondContact O-CD2 3.46Å; E112-Y114 WeakPolarHBondContact O-CE2 3.13Å; E112-Y114 PolarHBondContact O-N 3.27Å; E112-Y114 PolarHBondContact OE2-OH 3.46Å
113L54.1Low61.1Low117 Ų11775 Ų7561%0.61337%0.374SS*.  trans-70.4104.9-178-75.9158.5000106.9K77 Q111K77-L113 HydrophobicContact CB-CB 4.2Å; K77-L113 WeakPolarHBondContact CB-O 3.31Å; K77-L113 HydrophobicContact CD-CB 4.33Å; K77-L113 WeakPolarHBondContact CG-O 3.49Å; K77-L113 PolarHBondContact N-O 3.05Å; Q111-L113 PolarHBondContact O-N 2.62Å
114Y66.9Low63.5Low80 Ų8074.9 Ų74.931%0.31438%0.379SS..EExtended strand (participates in β ladder)trans-86.5139.8171.5-69.1-85.9000109.7E37 R74 R76 E112E37-Y114 HydrophobicContact CG-CE1 4.11Å; R74-Y114 HydrophobicContact CB-CD1 4.19Å; R76-Y114 HydrophobicContact CB-CD1 4.32Å; R76-Y114 HydrophobicContact CB-CE1 4.01Å; R76-Y114 HydrophobicContact CG-CE1 4.35Å; E112-Y114 HydrophobicContact CB-CD2 4.25Å; E112-Y114 HydrophobicContact CB-CE2 3.56Å; E112-Y114 WeakPolarHBondContact O-CD2 3.46Å; E112-Y114 WeakPolarHBondContact O-CE2 3.13Å; E112-Y114 PolarHBondContact O-N 3.27Å; E112-Y114 PolarHBondContact OE2-OH 3.46Å
115E78.9Confident66Low107 Ų10771.1 Ų71.150%0.537%0.365SS..EExtended strand (participates in β ladder)trans-92.9120.5161.4-164.2159.717900107.7R74 T75 K77R74-E115 WeakPolarHBondContact CA-O 3.46Å; T75-E115 PolarHBondContact N-O 3.43Å; T75-E115 PolarHBondContact O-N 3.13Å; K77-E115 WeakPolarHBondContact CE-OE2 3.42Å; K77-E115 HydrophobicContact CG-CB 4.33Å; K77-E115 IonicContact NZ-OE2 3.13Å
116E83.7Confident68.4Low88 Ų8874.6 Ų74.641%0.41137%0.369SS..EExtended strand (participates in β ladder)trans-100.4122.7176.8-52.5-164.5120.300109.3T73 R74T73-E116 WeakPolarHBondContact O-CA 3.32Å; R74-E116 HydrophobicContact CG-CG 4.09Å; R74-E116 IonicContact CZ-OE1 2.7Å; R74-E116 IonicContact NE-OE1 2.7Å; R74-E116 PolarHBondContact NE-OE1 2.95Å; R74-E116 IonicContact NH2-OE1 2.74Å; R74-E116 PolarHBondContact NH2-OE1 3.08Å
117D88.1Confident70.9Confident69 Ų6975.7 Ų75.737%0.36937%0.372SS..EExtended strand (participates in β ladder)trans-106.7129.2168.5-179.336.8000108.8T73 K119T73-D117 PolarHBondContact N-O 3.06Å; T73-D117 PolarHBondContact O-N 3.41Å; T73-D117 PolarHBondContact OG1-O 2.87Å; D117-K119 WeakPolarHBondContact OD1-CE 3.47Å; D117-K119 WeakPolarHBondContact OD2-CE 3.25Å; D117-K119 IonicContact OD2-NZ 3.45Å; D117-K119 PolarHBondContact OD2-NZ 2.97Å
118V90.2Very high73.7Confident38 Ų3875.8 Ų75.823%0.2337%0.374CS..EExtended strand (participates in β ladder)trans-133.3121.7-171.6-177.90000109.8L70 H71 I72 M149 M153L70-V118 HydrophobicContact CD1-CG1 3.47Å; L70-V118 VanDerWaalsContact CD1-CG1 3.47Å; L70-V118 HydrophobicContact CD2-CG1 4.03Å; L70-V118 HydrophobicContact CG-CG1 3.8Å; H71-V118 WeakPolarHBondContact O-CA 3.29Å; I72-V118 HydrophobicContact CG1-CG1 4.45Å; I72-V118 HydrophobicContact CG1-CG2 4.5Å; I72-V118 HydrophobicContact CG2-CG2 4.37Å; V118-M149 HydrophobicContact CG1-CE 4.42Å; V118-M153 HydrophobicContact CG1-CG 4.45Å; V118-M153 HydrophobicContact CG1-SD 4.23Å; V118-M153 HydrophobicContact CG2-CE 3.81Å; V118-M153 HydrophobicContact CG2-SD 3.92Å
119K91.6Very high76.2Confident66 Ų6669.3 Ų69.329%0.28734%0.34SS..EExtended strand (participates in β ladder)trans-138149.6-173.8-63.4174.5176.9156.10111.6L70 H71 D117 E128L70-K119 CarbonylContact C-O 3.59Å; H71-K119 PolarHBondContact N-O 3.3Å; H71-K119 PolarHBondContact O-N 3.49Å; D117-K119 WeakPolarHBondContact OD1-CE 3.47Å; D117-K119 WeakPolarHBondContact OD2-CE 3.25Å; D117-K119 IonicContact OD2-NZ 3.45Å; D117-K119 PolarHBondContact OD2-NZ 2.97Å; K119-E128 IonicContact NZ-OE2 3.34Å
120V91.6Very high78.4Confident2 Ų268.6 Ų68.61%0.01234%0.336CS..EExtended strand (participates in β ladder)trans-90127.7170.1175.70000108.6M46 Y69 L70 V129 V145 M149M46-V120 HydrophobicContact CE-CG2 4.31Å; M46-V120 HydrophobicContact SD-CG1 4.05Å; M46-V120 HydrophobicContact SD-CG2 4.26Å; Y69-V120 WeakPolarHBondContact O-CA 3.34Å; L70-V120 HydrophobicContact CD1-CG2 4.09Å; V120-V129 HydrophobicContact CB-CB 4.08Å; V120-V129 HydrophobicContact CB-CG2 4.19Å; V120-V129 HydrophobicContact CG1-CB 4.36Å; V120-V129 HydrophobicContact CG1-CG2 3.93Å; V120-V129 PolarHBondContact O-N 3.42Å; V120-V145 HydrophobicContact CG2-CG1 4.08Å; V120-M149 HydrophobicContact CG2-CE 4.15Å; V120-M149 HydrophobicContact CG2-CG 3.87Å; V120-M149 HydrophobicContact CG2-SD 3.55Å; V120-M149 VanDerWaalsContact CG2-SD 3.55Å
121V93.2Very high80.3Confident3 Ų367.2 Ų67.22%0.01834%0.341CS..EExtended strand (participates in β ladder)trans-121.7134.8-178.2-178.20000110.1Y43 Y69 H71 R126 Q127 E128Y43-V121 HydrophobicContact CD1-CB 4.44Å; Y43-V121 HydrophobicContact CE1-CB 4.12Å; Y43-V121 HydrophobicContact CE1-CG1 4.08Å; Y43-V121 HydrophobicContact CE1-CG2 4.15Å; Y69-V121 PolarHBondContact N-O 3.48Å; Y69-V121 PolarHBondContact O-N 2.72Å; H71-V121 HydrophobicContact CB-CB 4.49Å; H71-V121 HydrophobicContact CB-CG2 3.6Å; V121-R126 HydrophobicContact CG1-CB 4.17Å; V121-Q127 CarbonylContact C-O 3.42Å; V121-Q127 WeakPolarHBondContact CA-O 3.44Å; V121-E128 HydrophobicContact CG2-CG 4.31Å
122I91.9Very high82Confident2 Ų267 Ų671%0.0134%0.34CS..EExtended strand (participates in β ladder)trans-112.2122.6179.3-49.2178.5000111.4V7 L8 R67 R126 Q127 V129V7-I122 HydrophobicContact CG1-CD1 4.13Å; V7-I122 HydrophobicContact CG1-CG2 3.68Å; L8-I122 HydrophobicContact CB-CD1 4.01Å; L8-I122 HydrophobicContact CD1-CD1 4.06Å; R67-I122 HydrophobicContact CB-CG2 4.1Å; R67-I122 WeakPolarHBondContact O-CA 3.41Å; I122-R126 CarbonylContact O-C 3.57Å; I122-R126 VanDerWaalsContact O-CA 3.31Å; I122-R126 WeakPolarHBondContact O-CA 3.47Å; I122-R126 PolarHBondContact O-N 2.79Å; I122-Q127 PolarHBondContact N-O 2.92Å; I122-Q127 PolarHBondContact O-N 3.05Å; I122-V129 HydrophobicContact CD1-CG2 3.84Å; I122-V129 HydrophobicContact CG1-CG2 4.05Å
123L91.3Very high83.6Confident5 Ų564.9 Ų64.93%0.02633%0.331CS..THydrogen-bonded Turntrans-86.5156.3174.5-83.3100.8000112.9V57 H61 R67 Y69V57-L123 HydrophobicContact CG1-CD2 4.37Å; V57-L123 HydrophobicContact CG2-CD1 3.78Å; V57-L123 HydrophobicContact CG2-CD2 4.41Å; H61-L123 HydrophobicContact CB-CB 4.32Å; H61-L123 HydrophobicContact CB-CD2 3.96Å; R67-L123 PolarHBondContact NE-O 2.95Å; R67-L123 PolarHBondContact NH2-O 2.85Å; R67-L123 PolarHBondContact O-N 3.3Å; Y69-L123 HydrophobicContact CD2-CD1 3.35Å; Y69-L123 HydrophobicContact CE2-CB 4.48Å; Y69-L123 HydrophobicContact CE2-CD1 3.46Å; Y69-L123 VanDerWaalsContact CE2-CD1 3.46Å; Y69-L123 HydrophobicContact CE2-CG 4.49Å; Y69-L123 HydrophobicContact CG-CD1 4.27Å
124P87Confident84.7Confident75 Ų7560.2 Ų60.249%0.48731%0.307SS..THydrogen-bonded Turncis-83.9-196.533-36.1000115.2R126P124-R126 PolarHBondContact O-N 2.79Å; P124-R126 VanDerWaalsContact O-N 3.11Å
125D86.1Confident85.1Confident108 Ų10858.4 Ų58.458%0.57831%0.312SS*.THydrogen-bonded Turntrans-73.1-2.4-172.3-64.9-21000114.4Q127D125-Q127 HydrophobicContact CB-CG 3.81Å; D125-Q127 PolarHBondContact O-N 2.99Å; D125-Q127 PolarHBondContact OD2-NE2 3.34Å; D125-Q127 VanDerWaalsContact OD2-NE2 3.1Å
126R87.3Confident85.1Confident101 Ų10158.7 Ų58.738%0.38132%0.321SS..THydrogen-bonded Turntrans5141.2-174-60.1-175.9-179.7-119.54.1112.4Y43 S54 V121 I122 P124 E128Y43-R126 PolarHBondContact OH-NH1 3.02Å; S54-R126 PolarHBondContact O-NH2 3.43Å; S54-R126 PolarHBondContact OG-NH1 3.29Å; V121-R126 HydrophobicContact CG1-CB 4.17Å; I122-R126 CarbonylContact O-C 3.57Å; I122-R126 VanDerWaalsContact O-CA 3.31Å; I122-R126 WeakPolarHBondContact O-CA 3.47Å; I122-R126 PolarHBondContact O-N 2.79Å; P124-R126 PolarHBondContact O-N 2.79Å; P124-R126 VanDerWaalsContact O-N 3.11Å; R126-E128 PolarHBondContact O-N 2.71Å
127Q87.3Confident85Confident30 Ų3055.5 Ų55.514%0.1431%0.307CS..EExtended strand (participates in β ladder)trans-69.7123.2177.8-69173.117.300109.6V121 I122 D125V121-Q127 CarbonylContact C-O 3.42Å; V121-Q127 WeakPolarHBondContact CA-O 3.44Å; I122-Q127 PolarHBondContact N-O 2.92Å; I122-Q127 PolarHBondContact O-N 3.05Å; D125-Q127 HydrophobicContact CB-CG 3.81Å; D125-Q127 PolarHBondContact O-N 2.99Å; D125-Q127 PolarHBondContact OD2-NE2 3.34Å; D125-Q127 VanDerWaalsContact OD2-NE2 3.1Å
128E89.6Confident84.8Confident101 Ų10155.7 Ų55.747%0.47231%0.312SS..EExtended strand (participates in β ladder)trans-82.3131.5174.4-63.3-177.4-167.500109.6K119 V121 R126K119-E128 IonicContact NZ-OE2 3.34Å; V121-E128 HydrophobicContact CG2-CG 4.31Å; R126-E128 PolarHBondContact O-N 2.71Å
129V85.3Confident84.4Confident12 Ų1259.6 Ų59.67%0.07333%0.331CS..EExtended strand (participates in β ladder)trans-90.1114.3173.1-175.50000107.9V4 L8 V120 I122 D133 L134V4-V129 HydrophobicContact CG1-CB 4.45Å; V4-V129 HydrophobicContact CG1-CG1 4.47Å; V4-V129 HydrophobicContact CG1-CG2 3.94Å; L8-V129 HydrophobicContact CD2-CG1 4.1Å; V120-V129 HydrophobicContact CB-CB 4.08Å; V120-V129 HydrophobicContact CB-CG2 4.19Å; V120-V129 HydrophobicContact CG1-CB 4.36Å; V120-V129 HydrophobicContact CG1-CG2 3.93Å; V120-V129 PolarHBondContact O-N 3.42Å; I122-V129 HydrophobicContact CD1-CG2 3.84Å; I122-V129 HydrophobicContact CG1-CG2 4.05Å; V129-D133 HydrophobicContact CG1-CB 4.13Å; V129-L134 HydrophobicContact CG1-CD1 4.23Å; V129-L134 HydrophobicContact CG1-CD2 4.3Å; V129-L134 HydrophobicContact CG1-CG 3.81Å
130T81.8Confident84Confident61 Ų6161.7 Ų61.737%0.37435%0.349SS..  trans-83165.3178.2700000111.7E132 D133 L134T130-E132 PolarHBondContact O-N 3.32Å; T130-E132 PolarHBondContact OG1-N 3.29Å; T130-D133 WeakPolarHBondContact CB-OD2 3.43Å; T130-D133 PolarHBondContact N-OD2 3.28Å; T130-D133 PolarHBondContact O-N 3.05Å; T130-D133 PolarHBondContact OG1-N 3.27Å; T130-D133 PolarHBondContact OG1-OD2 3.36Å; T130-L134 PolarHBondContact O-N 2.76Å
131S75.8Confident83.6Confident102 Ų10261.8 Ų61.871%0.71335%0.35SS*.Hα-helixtrans-62-31.1172.251.30000112.5G135S131-G135 PolarHBondContact O-N 2.66Å
132E74.8Confident83.2Confident155 Ų15565.7 Ų65.772%0.72436%0.364SS*.Hα-helixtrans-67.5-43.5175-63.1-176178.700111T130 L134 G135 T136T130-E132 PolarHBondContact O-N 3.32Å; T130-E132 PolarHBondContact OG1-N 3.29Å; E132-L134 PolarHBondContact O-N 3.01Å; E132-G135 WeakPolarHBondContact O-CA 3.34Å; E132-G135 PolarHBondContact O-N 3.04Å; E132-G135 VanDerWaalsContact O-N 3.07Å; E132-T136 PolarHBondContact O-N 2.84Å
133D78.7Confident82.9Confident41 Ų4171.6 Ų71.622%0.21939%0.392CS..Hα-helixtrans-59-48.6176.6-59.9-47.4000110.8V4 V129 T130 G135 T136 M137V4-D133 HydrophobicContact CG1-CB 4.48Å; V129-D133 HydrophobicContact CG1-CB 4.13Å; T130-D133 WeakPolarHBondContact CB-OD2 3.43Å; T130-D133 PolarHBondContact N-OD2 3.28Å; T130-D133 PolarHBondContact O-N 3.05Å; T130-D133 PolarHBondContact OG1-N 3.27Å; T130-D133 PolarHBondContact OG1-OD2 3.36Å; D133-G135 PolarHBondContact O-N 3.47Å; D133-T136 PolarHBondContact O-N 3.24Å; D133-T136 VanDerWaalsContact O-N 3.11Å; D133-T136 PolarHBondContact O-OG1 2.95Å; D133-M137 WeakPolarHBondContact O-CE 3.43Å; D133-M137 WeakPolarHBondContact O-CG 3.4Å; D133-M137 PolarHBondContact O-N 3.3Å
134L77.2Confident82.7Confident19 Ų1975.8 Ų75.810%0.09941%0.407CS..Hα-helixtrans-61.7-31.7175.8-76.2164.1000113.1L8 V129 T130 E132 T136 M137 R142 V145L8-L134 HydrophobicContact CD2-CD2 4.1Å; V129-L134 HydrophobicContact CG1-CD1 4.23Å; V129-L134 HydrophobicContact CG1-CD2 4.3Å; V129-L134 HydrophobicContact CG1-CG 3.81Å; T130-L134 PolarHBondContact O-N 2.76Å; E132-L134 PolarHBondContact O-N 3.01Å; L134-T136 PolarHBondContact O-N 3.36Å; L134-M137 PolarHBondContact O-N 2.78Å; L134-R142 PolarHBondContact O-NE 2.86Å; L134-R142 PolarHBondContact O-NH2 3.09Å; L134-V145 HydrophobicContact CD2-CB 4.08Å; L134-V145 HydrophobicContact CD2-CG1 3.98Å; L134-V145 HydrophobicContact CD2-CG2 4.44Å
135G76Confident82.7Confident42 Ų4272.2 Ų72.243%0.43338%0.384SS..Hα-helixtrans-66.5-22176.200000114.1S131 E132 D133 R142S131-G135 PolarHBondContact O-N 2.66Å; E132-G135 WeakPolarHBondContact O-CA 3.34Å; E132-G135 PolarHBondContact O-N 3.04Å; E132-G135 VanDerWaalsContact O-N 3.07Å; D133-G135 PolarHBondContact O-N 3.47Å; G135-R142 VanDerWaalsContact C-NH2 3.27Å; G135-R142 PolarHBondContact O-NH2 3.06Å
136T79.4Confident82.8Confident112 Ų11269.4 Ų69.469%0.68737%0.373SS*.Hα-helixtrans-93.5-12.4176.166.40000113.7E132 D133 L134E132-T136 PolarHBondContact O-N 2.84Å; D133-T136 PolarHBondContact O-N 3.24Å; D133-T136 VanDerWaalsContact O-N 3.11Å; D133-T136 PolarHBondContact O-OG1 2.95Å; L134-T136 PolarHBondContact O-N 3.36Å
137M80.4Confident82.7Confident21 Ų2168.9 Ų68.910%0.10338%0.377CS..SBendtrans-78.2155.7-179.3-63.3-57133.500113.3D133 L134 V141 R142D133-M137 WeakPolarHBondContact O-CE 3.43Å; D133-M137 WeakPolarHBondContact O-CG 3.4Å; D133-M137 PolarHBondContact O-N 3.3Å; L134-M137 PolarHBondContact O-N 2.78Å; M137-V141 HydrophobicContact CB-CB 4.27Å; M137-V141 HydrophobicContact CB-CG1 4.36Å; M137-R142 PolarHBondContact O-NH2 3.25Å; M137-R142 VanDerWaalsContact O-NH2 3.09Å
138P83.8Confident82.8Confident74 Ų7467.5 Ų67.548%0.48137%0.371SS..  trans-55.2144.5170-22.331.6000112.6V140 V141 R142P138-V140 VanDerWaalsContact C-N 3.25Å; P138-V140 PolarHBondContact O-N 3.38Å; P138-V140 VanDerWaalsContact O-N 3.13Å; P138-V141 HydrophobicContact CB-CG2 4.08Å; P138-V141 HydrophobicContact CG-CG2 4.21Å; P138-V141 WeakPolarHBondContact O-CB 3.15Å; P138-V141 PolarHBondContact O-N 2.78Å; P138-R142 PolarHBondContact O-N 3.46Å; P138-R142 VanDerWaalsContact O-N 3.16Å
139D82.8Confident82.8Confident119 Ų11964.6 Ų64.664%0.63636%0.358SS*.Hα-helixtrans-54.2-39.4-173.5-66.1-30.7000113.3V141 R142 E143D139-V141 VanDerWaalsContact C-N 3.26Å; D139-V141 PolarHBondContact O-N 3.42Å; D139-R142 PolarHBondContact O-N 2.86Å; D139-E143 VanDerWaalsContact O-CB 3.24Å; D139-E143 WeakPolarHBondContact O-CB 3.24Å; D139-E143 PolarHBondContact O-N 2.91Å
140V82.6Confident82.8Confident110 Ų11067.7 Ų67.767%0.66738%0.38SS*.Hα-helixtrans-60.5-35.8178.7-178.80000112.4P138 R144P138-V140 VanDerWaalsContact C-N 3.25Å; P138-V140 PolarHBondContact O-N 3.38Å; P138-V140 VanDerWaalsContact O-N 3.13Å; V140-R144 WeakPolarHBondContact O-CB 3.21Å; V140-R144 PolarHBondContact O-N 3.32Å; V140-R144 VanDerWaalsContact O-N 3.17Å
141V83.9Confident82.8Confident4 Ų465.7 Ų65.72%0.02437%0.372CS..Hα-helixtrans-75.2-48.7-178.9-175.20000109.1L8 M9 L12 M137 P138 D139 E143 R144 V145L8-V141 HydrophobicContact CD2-CG1 4.47Å; M9-V141 HydrophobicContact CE-CG2 4.16Å; M9-V141 HydrophobicContact SD-CB 4.28Å; M9-V141 HydrophobicContact SD-CG1 4.02Å; M9-V141 HydrophobicContact SD-CG2 3.29Å; M9-V141 WeakPolarHBondContact SD-CG2 3.36Å; L12-V141 HydrophobicContact CD1-CG1 3.96Å; L12-V141 HydrophobicContact CD2-CB 4.33Å; L12-V141 HydrophobicContact CD2-CG1 4.18Å; L12-V141 HydrophobicContact CD2-CG2 3.88Å; M137-V141 HydrophobicContact CB-CB 4.27Å; M137-V141 HydrophobicContact CB-CG1 4.36Å; P138-V141 HydrophobicContact CB-CG2 4.08Å; P138-V141 HydrophobicContact CG-CG2 4.21Å; P138-V141 WeakPolarHBondContact O-CB 3.15Å; P138-V141 PolarHBondContact O-N 2.78Å; D139-V141 VanDerWaalsContact C-N 3.26Å; D139-V141 PolarHBondContact O-N 3.42Å; V141-E143 PolarHBondContact O-N 2.7Å; V141-R144 PolarHBondContact O-N 2.81Å; V141-V145 WeakPolarHBondContact O-CG2 3.44Å; V141-V145 PolarHBondContact O-N 2.89Å
142R84.7Confident83.3Confident86 Ų8660.9 Ų60.933%0.32534%0.338SS..Hα-helixtrans-56.6-50.7177.1-174.8-173.8-54.7169.512.8110.8L134 G135 M137 P138 D139 R144 V145 S146L134-R142 PolarHBondContact O-NE 2.86Å; L134-R142 PolarHBondContact O-NH2 3.09Å; G135-R142 VanDerWaalsContact C-NH2 3.27Å; G135-R142 PolarHBondContact O-NH2 3.06Å; M137-R142 PolarHBondContact O-NH2 3.25Å; M137-R142 VanDerWaalsContact O-NH2 3.09Å; P138-R142 PolarHBondContact O-N 3.46Å; P138-R142 VanDerWaalsContact O-N 3.16Å; D139-R142 PolarHBondContact O-N 2.86Å; R142-R144 PolarHBondContact O-N 3.5Å; R142-V145 PolarHBondContact O-N 3.47Å; R142-S146 WeakPolarHBondContact O-CB 3.29Å; R142-S146 PolarHBondContact O-N 2.86Å; R142-S146 PolarHBondContact O-OG 2.92Å; R142-S146 VanDerWaalsContact O-OG 3.08Å
143E85.4Confident83.7Confident125 Ų12556 Ų5658%0.58432%0.316SS*.Hα-helixtrans-60.4-46.2-179.8-172.3177.7-16500111.3D139 V141 V145 S146 L147D139-E143 VanDerWaalsContact O-CB 3.24Å; D139-E143 WeakPolarHBondContact O-CB 3.24Å; D139-E143 PolarHBondContact O-N 2.91Å; V141-E143 PolarHBondContact O-N 2.7Å; E143-V145 PolarHBondContact O-N 3.27Å; E143-S146 PolarHBondContact O-N 3.05Å; E143-L147 HydrophobicContact CG-CD1 3.85Å; E143-L147 HydrophobicContact CG-CG 4.31Å; E143-L147 VanDerWaalsContact O-CB 3.26Å; E143-L147 WeakPolarHBondContact O-CB 3.42Å; E143-L147 WeakPolarHBondContact O-CG 3.48Å; E143-L147 PolarHBondContact O-N 3.17Å
144R86.8Confident83.6Confident93 Ų9358 Ų5835%0.35134%0.338SS..Hα-helixtrans-63.7-42.9179.5-174.8170.5-180169.5-1.4113L12 I15 V140 V141 R142 S148L12-R144 HydrophobicContact CD1-CB 4.37Å; L12-R144 HydrophobicContact CD1-CG 4.32Å; L12-R144 VanDerWaalsContact O-CZ 3.3Å; L12-R144 PolarHBondContact O-NH2 2.64Å; I15-R144 VanDerWaalsContact O-CZ 3.28Å; I15-R144 PolarHBondContact O-NE 3.5Å; I15-R144 PolarHBondContact O-NH2 3.01Å; V140-R144 WeakPolarHBondContact O-CB 3.21Å; V140-R144 PolarHBondContact O-N 3.32Å; V140-R144 VanDerWaalsContact O-N 3.17Å; V141-R144 PolarHBondContact O-N 2.81Å; R142-R144 PolarHBondContact O-N 3.5Å; R144-S148 WeakPolarHBondContact O-CB 3.33Å; R144-S148 PolarHBondContact O-N 3.43Å
145V87.6Confident83.4Confident0 Ų058.3 Ų58.30%034%0.343CS..Hα-helixtrans-67.3-47.7178.2175.50000110.2L8 L12 I15 V120 L134 V141 R142 E143 L147 S148 M149L8-V145 HydrophobicContact CD1-CG2 4.37Å; L8-V145 HydrophobicContact CD2-CG2 4.46Å; L12-V145 HydrophobicContact CD1-CG2 4.29Å; I15-V145 HydrophobicContact CD1-CG2 3.98Å; V120-V145 HydrophobicContact CG2-CG1 4.08Å; L134-V145 HydrophobicContact CD2-CB 4.08Å; L134-V145 HydrophobicContact CD2-CG1 3.98Å; L134-V145 HydrophobicContact CD2-CG2 4.44Å; V141-V145 WeakPolarHBondContact O-CG2 3.44Å; V141-V145 PolarHBondContact O-N 2.89Å; R142-V145 PolarHBondContact O-N 3.47Å; E143-V145 PolarHBondContact O-N 3.27Å; V145-L147 PolarHBondContact O-N 3.29Å; V145-S148 PolarHBondContact O-N 3.24Å; V145-M149 HydrophobicContact CG1-CG 4.36Å; V145-M149 HydrophobicContact CG1-SD 3.98Å; V145-M149 VanDerWaalsContact O-CG 3.29Å; V145-M149 WeakPolarHBondContact O-CG 3.09Å; V145-M149 PolarHBondContact O-N 3.42Å
146S87.2Confident82.8Confident50 Ų5061.5 Ų61.535%0.3535%0.35SS..Hα-helixtrans-61.4-41.4177.6-64.60000112.7R142 E143 M149 S150R142-S146 WeakPolarHBondContact O-CB 3.29Å; R142-S146 PolarHBondContact O-N 2.86Å; R142-S146 PolarHBondContact O-OG 2.92Å; R142-S146 VanDerWaalsContact O-OG 3.08Å; E143-S146 PolarHBondContact O-N 3.05Å; S146-M149 PolarHBondContact O-N 2.94Å; S146-S150 WeakPolarHBondContact O-CB 3.4Å; S146-S150 PolarHBondContact O-N 2.87Å; S146-S150 PolarHBondContact O-OG 3.44Å; S146-S150 VanDerWaalsContact O-OG 3.12Å
147L86.6Confident82.2Confident90 Ų9056.4 Ų56.447%0.47132%0.32SS..Hα-helixtrans-64.6-39.4175.4-75.3173.2000112.1V17 E143 V145 G151V17-L147 HydrophobicContact CG1-CB 4.32Å; V17-L147 HydrophobicContact CG2-CB 4.03Å; E143-L147 HydrophobicContact CG-CD1 3.85Å; E143-L147 HydrophobicContact CG-CG 4.31Å; E143-L147 VanDerWaalsContact O-CB 3.26Å; E143-L147 WeakPolarHBondContact O-CB 3.42Å; E143-L147 WeakPolarHBondContact O-CG 3.48Å; E143-L147 PolarHBondContact O-N 3.17Å; V145-L147 PolarHBondContact O-N 3.29Å; L147-G151 WeakPolarHBondContact O-CA 3.12Å; L147-G151 PolarHBondContact O-N 2.75Å
148S89.5Confident81.3Confident0 Ų057 Ų570%032%0.324CS..Hα-helixtrans-65.6-46.2175.9-176.40000111.4R16 M46 R144 V145 G151 I152R16-S148 WeakPolarHBondContact O-CB 3.45Å; R16-S148 PolarHBondContact O-OG 3.03Å; M46-S148 WeakPolarHBondContact CE-OG 3.27Å; R144-S148 WeakPolarHBondContact O-CB 3.33Å; R144-S148 PolarHBondContact O-N 3.43Å; V145-S148 PolarHBondContact O-N 3.24Å; S148-G151 PolarHBondContact O-N 2.79Å; S148-I152 VanDerWaalsContact O-CG1 3.27Å; S148-I152 WeakPolarHBondContact O-CG1 3.16Å; S148-I152 PolarHBondContact O-N 2.8Å
149M88.8Confident80.1Confident40 Ų4054.2 Ų54.220%0.19731%0.306CS..Hα-helixtrans-58.4-54.3176.1-68.71757000111.6M46 L70 V118 V120 V145 S146 G151 I152 M153M46-M149 HydrophobicContact CE-CG 4.23Å; L70-M149 HydrophobicContact CD1-CB 4.39Å; L70-M149 HydrophobicContact CD1-CE 4.08Å; L70-M149 HydrophobicContact CD1-CG 3.77Å; V118-M149 HydrophobicContact CG1-CE 4.42Å; V120-M149 HydrophobicContact CG2-CE 4.15Å; V120-M149 HydrophobicContact CG2-CG 3.87Å; V120-M149 HydrophobicContact CG2-SD 3.55Å; V120-M149 VanDerWaalsContact CG2-SD 3.55Å; V145-M149 HydrophobicContact CG1-CG 4.36Å; V145-M149 HydrophobicContact CG1-SD 3.98Å; V145-M149 VanDerWaalsContact O-CG 3.29Å; V145-M149 WeakPolarHBondContact O-CG 3.09Å; V145-M149 PolarHBondContact O-N 3.42Å; S146-M149 PolarHBondContact O-N 2.94Å; M149-G151 VanDerWaalsContact C-N 3.29Å; M149-G151 PolarHBondContact O-N 3.45Å; M149-I152 PolarHBondContact O-N 2.9Å; M149-M153 WeakPolarHBondContact O-CG 3.42Å; M149-M153 PolarHBondContact O-N 3.14Å
150S84.7Confident78.9Confident78 Ų7852.6 Ų52.655%0.54530%0.295SS..Hα-helixtrans-61.7-38.4178.5-63.70000111.7S146 M153 A154S146-S150 WeakPolarHBondContact O-CB 3.4Å; S146-S150 PolarHBondContact O-N 2.87Å; S146-S150 PolarHBondContact O-OG 3.44Å; S146-S150 VanDerWaalsContact O-OG 3.12Å; S150-M153 PolarHBondContact O-N 2.91Å; S150-A154 WeakPolarHBondContact O-CB 3.43Å; S150-A154 PolarHBondContact O-N 3.15Å
151G82.9Confident77.6Confident19 Ų1950 Ų5020%0.19628%0.28CS..Hα-helixtrans-63.9-42.5176.300000112.9L147 S148 M149 A155L147-G151 WeakPolarHBondContact O-CA 3.12Å; L147-G151 PolarHBondContact O-N 2.75Å; S148-G151 PolarHBondContact O-N 2.79Å; M149-G151 VanDerWaalsContact C-N 3.29Å; M149-G151 PolarHBondContact O-N 3.45Å; G151-A155 WeakPolarHBondContact O-CB 3.39Å; G151-A155 PolarHBondContact O-N 3.5Å
152I85.3Confident76.2Confident0 Ų051.6 Ų51.60%029%0.288CS..Hα-helixtrans-67.2-42.2176.8-67.8166.3000110.4P18 V24 K26 V44 M46 F49 L70 S148 M149P18-I152 HydrophobicContact CG-CB 4.49Å; P18-I152 HydrophobicContact CG-CG1 3.61Å; V24-I152 HydrophobicContact CG1-CG2 3.88Å; K26-I152 WeakPolarHBondContact CD-O 3.23Å; K26-I152 PolarHBondContact NZ-O 2.77Å; V44-I152 HydrophobicContact CG1-CD1 4.49Å; V44-I152 HydrophobicContact CG1-CG2 4.08Å; M46-I152 HydrophobicContact CG-CD1 4.33Å; F49-I152 HydrophobicContact CD1-CD1 4.28Å; F49-I152 HydrophobicContact CD1-CG1 4.21Å; L70-I152 HydrophobicContact CB-CD1 4.38Å; L70-I152 HydrophobicContact CD2-CB 3.84Å; L70-I152 HydrophobicContact CD2-CD1 4.13Å; L70-I152 HydrophobicContact CD2-CG2 3.57Å; S148-I152 VanDerWaalsContact O-CG1 3.27Å; S148-I152 WeakPolarHBondContact O-CG1 3.16Å; S148-I152 PolarHBondContact O-N 2.8Å; M149-I152 PolarHBondContact O-N 2.9Å
153M83.4Confident74.8Confident53 Ų5350.9 Ų50.926%0.26129%0.288SS..Hα-helixtrans-70.9-34.5179.5-67.9-55.4-64.700113K26 L70 I72 V118 M149 S150K26-M153 VanDerWaalsContact NZ-C 3.33Å; K26-M153 PolarHBondContact NZ-O 3.19Å; L70-M153 HydrophobicContact CD2-CG 4.4Å; L70-M153 HydrophobicContact CD2-SD 4.32Å; I72-M153 HydrophobicContact CD1-SD 3.87Å; I72-M153 HydrophobicContact CG1-SD 4.31Å; V118-M153 HydrophobicContact CG1-CG 4.45Å; V118-M153 HydrophobicContact CG1-SD 4.23Å; V118-M153 HydrophobicContact CG2-CE 3.81Å; V118-M153 HydrophobicContact CG2-SD 3.92Å; M149-M153 WeakPolarHBondContact O-CG 3.42Å; M149-M153 PolarHBondContact O-N 3.14Å; S150-M153 PolarHBondContact O-N 2.91Å
154A76.3Confident73Confident84 Ų8448 Ų4869%0.69428%0.279SS*.Hα-helixtrans-84.2-25178.900000113.9S150 D156S150-A154 WeakPolarHBondContact O-CB 3.43Å; S150-A154 PolarHBondContact O-N 3.15Å; A154-D156 PolarHBondContact O-N 2.86Å
155A72.8Confident71.2Confident25 Ų2548.2 Ų48.221%0.20728%0.284CS..SBendtrans-60.1135.6177.700000110.8V24 K26 G151 S157V24-A155 HydrophobicContact CB-CB 4.13Å; V24-A155 HydrophobicContact CG2-CB 3.7Å; K26-A155 WeakPolarHBondContact CE-O 3.27Å; K26-A155 PolarHBondContact NZ-O 3.17Å; G151-A155 WeakPolarHBondContact O-CB 3.39Å; G151-A155 PolarHBondContact O-N 3.5Å; A155-S157 PolarHBondContact O-N 2.66Å; A155-S157 VanDerWaalsContact O-N 3.17Å
156D65.2Low69.2Low108 Ų10849.9 Ų49.958%0.57829%0.292SS*.PPolyproline II helixtrans-56.7123.2166-76.4-53.6000108.4A154 H160A154-D156 PolarHBondContact O-N 2.86Å; D156-H160 IonicContact OD1-CE1 3.19Å; D156-H160 IonicContact OD1-ND1 3.84Å; D156-H160 PolarHBondContact OD1-ND1 3.1Å; D156-H160 VanDerWaalsContact OD1-ND1 3.13Å
157S64.9Low67.1Low6 Ų652.7 Ų52.74%0.04230%0.295CS..BIsolated β-bridgetrans-70.4152.5176.461.90000110V24 D27 A155 S159 H160 T161V24-S157 WeakPolarHBondContact O-CA 3.24Å; D27-S157 WeakPolarHBondContact OD2-CB 3.38Å; D27-S157 PolarHBondContact OD2-OG 3.34Å; A155-S157 PolarHBondContact O-N 2.66Å; A155-S157 VanDerWaalsContact O-N 3.17Å; S157-S159 PolarHBondContact O-N 3.22Å; S157-H160 PolarHBondContact O-N 3.01Å; S157-H160 WeakPolarHBondContact OG-CB 3.44Å; S157-H160 PolarHBondContact OG-N 2.9Å; S157-T161 PolarHBondContact O-N 2.84Å; S157-T161 PolarHBondContact O-OG1 2.59Å
158V62.8Low64.8Low32 Ų3252.8 Ų52.819%0.19430%0.295CS..Hα-helixtrans-55.7-37.9174.6178.20000111R23 V24 L162R23-V158 HydrophobicContact CB-CG2 3.82Å; R23-V158 HydrophobicContact CG-CG2 4.41Å; V24-V158 PolarHBondContact O-N 3.27Å; V158-L162 HydrophobicContact CG1-CD1 3.94Å; V158-L162 HydrophobicContact CG1-CG 4.34Å; V158-L162 VanDerWaalsContact O-CB 3.31Å; V158-L162 WeakPolarHBondContact O-CB 3.41Å; V158-L162 WeakPolarHBondContact O-CG 3.5Å; V158-L162 PolarHBondContact O-N 3.2Å
159S58.8Low62.4Low16 Ų1655.2 Ų55.211%0.11232%0.321CS..Hα-helixtrans-67.3-39176.9-57.70000112.7D27 S157 Q163D27-S159 WeakPolarHBondContact OD2-CB 3.38Å; S157-S159 PolarHBondContact O-N 3.22Å; S159-Q163 VanDerWaalsContact O-CB 3.24Å; S159-Q163 WeakPolarHBondContact O-CB 3.18Å; S159-Q163 PolarHBondContact O-N 3.15Å
160H56.4Low60.5Low85 Ų8558.6 Ų58.639%0.39434%0.336SS..Hα-helixtrans-67.3-46.7175.4-175.6-112.3000111D156 S157 L162 Q163 V164D156-H160 IonicContact OD1-CE1 3.19Å; D156-H160 IonicContact OD1-ND1 3.84Å; D156-H160 PolarHBondContact OD1-ND1 3.1Å; D156-H160 VanDerWaalsContact OD1-ND1 3.13Å; S157-H160 PolarHBondContact O-N 3.01Å; S157-H160 WeakPolarHBondContact OG-CB 3.44Å; S157-H160 PolarHBondContact OG-N 2.9Å; H160-L162 VanDerWaalsContact C-N 3.35Å; H160-L162 PolarHBondContact O-N 3.06Å; H160-Q163 CarbonylContact O-C 3.31Å; H160-Q163 WeakPolarHBondContact O-CB 3.5Å; H160-Q163 PolarHBondContact O-N 2.83Å; H160-Q163 VanDerWaalsContact O-N 3.08Å; H160-V164 WeakPolarHBondContact O-CG2 3.47Å; H160-V164 PolarHBondContact O-N 2.88Å
161T55.2Low58.8Low57 Ų5759.3 Ų59.335%0.3534%0.337SS..Hα-helixtrans-59.2-45175.6-50.60000111.6S157 Q163 V164 Q165S157-T161 PolarHBondContact O-N 2.84Å; S157-T161 PolarHBondContact O-OG1 2.59Å; T161-Q163 VanDerWaalsContact C-N 3.3Å; T161-Q163 PolarHBondContact O-N 2.89Å; T161-V164 PolarHBondContact O-N 2.87Å; T161-Q165 WeakPolarHBondContact O-CB 3.39Å; T161-Q165 VanDerWaalsContact O-CG 3.31Å; T161-Q165 WeakPolarHBondContact O-CG 3.41Å; T161-Q165 PolarHBondContact O-N 2.96Å
162L55.1Low57.9Low37 Ų3760.7 Ų60.719%0.19434%0.336CS..Hα-helixtrans-63.9-36.4175.2-74.1172.8000111.8V158 H160 Q165 Q166 A417V158-L162 HydrophobicContact CG1-CD1 3.94Å; V158-L162 HydrophobicContact CG1-CG 4.34Å; V158-L162 VanDerWaalsContact O-CB 3.31Å; V158-L162 WeakPolarHBondContact O-CB 3.41Å; V158-L162 WeakPolarHBondContact O-CG 3.5Å; V158-L162 PolarHBondContact O-N 3.2Å; H160-L162 VanDerWaalsContact C-N 3.35Å; H160-L162 PolarHBondContact O-N 3.06Å; L162-Q165 PolarHBondContact O-N 2.82Å; L162-Q166 WeakPolarHBondContact O-CG 3.46Å; L162-Q166 PolarHBondContact O-N 2.98Å; L162-A417 HydrophobicContact CD1-CB 4.13Å; L162-A417 HydrophobicContact CD2-CB 4.32Å
163Q55.3Low57.3Low70 Ų7068.3 Ų68.333%0.32737%0.371SS..Hα-helixtrans-68.8-45.8176.4-171.8170.416.800111.1S159 H160 T161 Q165 Q166 W167S159-Q163 VanDerWaalsContact O-CB 3.24Å; S159-Q163 WeakPolarHBondContact O-CB 3.18Å; S159-Q163 PolarHBondContact O-N 3.15Å; H160-Q163 CarbonylContact O-C 3.31Å; H160-Q163 WeakPolarHBondContact O-CB 3.5Å; H160-Q163 PolarHBondContact O-N 2.83Å; H160-Q163 VanDerWaalsContact O-N 3.08Å; T161-Q163 VanDerWaalsContact C-N 3.3Å; T161-Q163 PolarHBondContact O-N 2.89Å; Q163-Q165 VanDerWaalsContact C-N 3.27Å; Q163-Q165 PolarHBondContact O-N 3.29Å; Q163-Q166 WeakPolarHBondContact O-CA 3.32Å; Q163-Q166 WeakPolarHBondContact O-CB 3.1Å; Q163-Q166 PolarHBondContact O-N 2.83Å; Q163-W167 PolarHBondContact O-N 2.83Å
164V48.6Very low57.3Low66 Ų6671.1 Ų71.140%0.438%0.384SS..Hα-helixtrans-57-43.2173.5173.90000110.6H160 T161 Q166 W167 D168H160-V164 WeakPolarHBondContact O-CG2 3.47Å; H160-V164 PolarHBondContact O-N 2.88Å; T161-V164 PolarHBondContact O-N 2.87Å; V164-Q166 VanDerWaalsContact C-N 3.26Å; V164-Q166 PolarHBondContact O-N 3.03Å; V164-W167 CarbonylContact O-C 3.6Å; V164-W167 WeakPolarHBondContact O-CA 3.22Å; V164-W167 PolarHBondContact O-N 2.84Å; V164-D168 PolarHBondContact O-N 3.09Å
165Q47.5Very low57.8Low97 Ų9767.3 Ų67.345%0.45335%0.353SS..Hα-helixtrans-62.6-28.1172.9-73.9176.7-6.700113.8T161 L162 Q163 W167 D168 N429T161-Q165 WeakPolarHBondContact O-CB 3.39Å; T161-Q165 VanDerWaalsContact O-CG 3.31Å; T161-Q165 WeakPolarHBondContact O-CG 3.41Å; T161-Q165 PolarHBondContact O-N 2.96Å; L162-Q165 PolarHBondContact O-N 2.82Å; Q163-Q165 VanDerWaalsContact C-N 3.27Å; Q163-Q165 PolarHBondContact O-N 3.29Å; Q165-W167 VanDerWaalsContact C-N 3.29Å; Q165-D168 PolarHBondContact O-N 2.84Å; Q165-N429 VanDerWaalsContact C-ND2 3.34Å; Q165-N429 PolarHBondContact O-ND2 3.45Å
166Q46.6Very low58.7Low34 Ų3471.9 Ų71.916%0.15937%0.368CS..Hα-helixtrans-66.9-31.6172.2-69.8160.41.900112L162 Q163 V164 L329 R413 N429L162-Q166 WeakPolarHBondContact O-CG 3.46Å; L162-Q166 PolarHBondContact O-N 2.98Å; Q163-Q166 WeakPolarHBondContact O-CA 3.32Å; Q163-Q166 WeakPolarHBondContact O-CB 3.1Å; Q163-Q166 PolarHBondContact O-N 2.83Å; V164-Q166 VanDerWaalsContact C-N 3.26Å; V164-Q166 PolarHBondContact O-N 3.03Å; Q166-L329 VanDerWaalsContact CG-O 3.26Å; Q166-L329 WeakPolarHBondContact CG-O 3.47Å; Q166-L329 PolarHBondContact NE2-O 3.18Å; Q166-R413 VanDerWaalsContact NE2-NH1 3.16Å; Q166-N429 VanDerWaalsContact CA-ND2 3.33Å; Q166-N429 WeakPolarHBondContact CA-ND2 3.49Å; Q166-N429 PolarHBondContact N-ND2 2.94Å
167W43.5Very low59.9Low110 Ų11069 Ų6942%0.41735%0.351SS..Hα-helixtrans-85.4-22.5175.3-59.198.9000112.9L99 A100 I101 Q163 V164 Q165 G169L99-W167 WeakPolarHBondContact O-CZ3 3.47Å; A100-W167 HydrophobicContact CB-CE3 4.4Å; I101-W167 HydrophobicContact CB-CH2 4.12Å; I101-W167 HydrophobicContact CB-CZ2 3.91Å; I101-W167 HydrophobicContact CD1-CH2 3.51Å; I101-W167 HydrophobicContact CD1-CZ2 3.65Å; I101-W167 HydrophobicContact CG1-CH2 3.57Å; I101-W167 HydrophobicContact CG1-CZ2 3.81Å; I101-W167 HydrophobicContact CG1-CZ3 4.44Å; Q163-W167 PolarHBondContact O-N 2.83Å; V164-W167 CarbonylContact O-C 3.6Å; V164-W167 WeakPolarHBondContact O-CA 3.22Å; V164-W167 PolarHBondContact O-N 2.84Å; Q165-W167 VanDerWaalsContact C-N 3.29Å; W167-G169 PolarHBondContact O-N 2.88Å; W167-G169 VanDerWaalsContact O-N 3.12Å
168D36.7Very low61Low91 Ų9168.7 Ų68.749%0.48735%0.349SS..G310 helixtrans-70.15171.8-89.1-23.6000113.9V164 Q165 E170 V171V164-D168 PolarHBondContact O-N 3.09Å; Q165-D168 PolarHBondContact O-N 2.84Å; D168-E170 PolarHBondContact O-N 2.82Å; D168-V171 HydrophobicContact CB-CG2 4.04Å; D168-V171 PolarHBondContact O-N 3.04Å; D168-V171 VanDerWaalsContact O-N 3.15Å; D168-V171 WeakPolarHBondContact OD1-CG2 3.33Å
169G40Very low62.1Low51 Ų5169.5 Ų69.553%0.52636%0.359SS..G310 helixtrans-61.9-718000000115.8W167W167-G169 PolarHBondContact O-N 2.88Å; W167-G169 VanDerWaalsContact O-N 3.12Å
170E48.1Very low63.5Low112 Ų11275.4 Ų75.452%0.52339%0.389SS..G310 helixtrans-136.455168.2-72.8-172.9-175.100110.6D168 R172D168-E170 PolarHBondContact O-N 2.82Å; E170-R172 PolarHBondContact O-N 2.98Å; E170-R172 IonicContact OE2-NE 3.12Å; E170-R172 IonicContact OE2-NH2 2.95Å
171V49.6Very low65.1Low92 Ų9272.3 Ų72.356%0.55838%0.375SS*.  trans-69.283.1157.6-1750000107D168 Q173D168-V171 HydrophobicContact CB-CG2 4.04Å; D168-V171 PolarHBondContact O-N 3.04Å; D168-V171 VanDerWaalsContact O-N 3.15Å; D168-V171 WeakPolarHBondContact OD1-CG2 3.33Å; V171-Q173 PolarHBondContact O-N 3.06Å; V171-Q173 VanDerWaalsContact O-N 3.16Å
172R63.7Low66.7Low49 Ų4977.8 Ų77.819%0.18539%0.394CS..PPolyproline II helixtrans-47.7122.7166.5-69.5175.8-168.3-173.5-3106.2E170 D255 M264 L266E170-R172 PolarHBondContact O-N 2.98Å; E170-R172 IonicContact OE2-NE 3.12Å; E170-R172 IonicContact OE2-NH2 2.95Å; R172-D255 IonicContact CZ-OD1 3.9Å; R172-D255 VanDerWaalsContact CZ-OD1 3.28Å; R172-D255 IonicContact NH1-OD1 2.77Å; R172-D255 PolarHBondContact NH1-OD1 3.46Å; R172-D255 IonicContact NH2-OD1 3.89Å; R172-D255 PolarHBondContact NH2-OD1 2.71Å; R172-M264 HydrophobicContact CG-CB 4.44Å; R172-L266 HydrophobicContact CB-CD1 4.37Å; R172-L266 HydrophobicContact CB-CD2 3.8Å; R172-L266 HydrophobicContact CB-CG 3.6Å; R172-L266 WeakPolarHBondContact O-CD1 3.46Å; R172-L266 VanDerWaalsContact O-CG 3.31Å; R172-L266 WeakPolarHBondContact O-CG 3.44Å
173Q72.9Confident68.4Low159 Ų15978.2 Ų78.274%0.74340%0.395SS*.PPolyproline II helixtrans-71.8147.3177-62.5-153.7-5.300108.9V171 S175 V265 L266V171-Q173 PolarHBondContact O-N 3.06Å; V171-Q173 VanDerWaalsContact O-N 3.16Å; Q173-S175 PolarHBondContact O-N 3.35Å; Q173-V265 WeakPolarHBondContact O-CA 3.45Å; Q173-L266 PolarHBondContact O-N 3.35Å
174E82.9Confident70.1Confident112 Ų11278.3 Ų78.352%0.52340%0.398SS..BIsolated β-bridgetrans-62.5128.5171.9-173.8172.4-163.700108.9K176 A178 L266 S268E174-K176 PolarHBondContact O-N 2.97Å; E174-A178 HydrophobicContact CG-CB 4.38Å; E174-L266 WeakPolarHBondContact CA-O 3.42Å; E174-S268 WeakPolarHBondContact OE1-CB 3.12Å; E174-S268 PolarHBondContact OE1-OG 3.16Å
175S88.1Confident71.7Confident5 Ų582.5 Ų82.54%0.03542%0.418CS..PPolyproline II helixtrans-62138-179.7178.50000110.4Q173 H177 A178 L242 E261 L266Q173-S175 PolarHBondContact O-N 3.35Å; S175-H177 PolarHBondContact O-N 3.29Å; S175-H177 PolarHBondContact OG-N 3.39Å; S175-A178 WeakPolarHBondContact O-CB 3.45Å; S175-A178 PolarHBondContact O-N 2.87Å; S175-L242 WeakPolarHBondContact OG-CD2 3.43Å; S175-E261 WeakPolarHBondContact CB-OE2 3.3Å; S175-E261 PolarHBondContact OG-OE2 3.03Å; S175-L266 PolarHBondContact N-O 3.26Å
176K90.7Very high73.3Confident120 Ų12081.4 Ų81.452%0.52242%0.415SS..THydrogen-bonded Turntrans-57.6-18.2169.671.2-164.1-177.4-172.10113.5E174 D260 E261E174-K176 PolarHBondContact O-N 2.97Å; K176-D260 WeakPolarHBondContact CE-OD2 3.3Å; K176-D260 IonicContact NZ-OD2 3.28Å; K176-D260 PolarHBondContact NZ-OD2 2.86Å; K176-E261 HydrophobicContact CD-CG 3.93Å; K176-E261 HydrophobicContact CG-CG 4.31Å; K176-E261 PolarHBondContact N-OE1 2.93Å
177H90.2Very high74.6Confident48 Ų4883.3 Ų83.322%0.22244%0.444CS..THydrogen-bonded Turntrans-96.8-12.5-179.7-60.8-68.9000113.9S175 A179 D180 L181 P241 L242 D260 E261S175-H177 PolarHBondContact O-N 3.29Å; S175-H177 PolarHBondContact OG-N 3.39Å; H177-A179 PolarHBondContact O-N 2.74Å; H177-D180 PolarHBondContact O-N 3.42Å; H177-L181 WeakPolarHBondContact O-CA 3.47Å; H177-L181 WeakPolarHBondContact O-CB 3.45Å; H177-L181 PolarHBondContact O-N 2.98Å; H177-P241 HydrophobicContact CB-CB 4.44Å; H177-P241 HydrophobicContact CB-CG 3.85Å; H177-P241 VanDerWaalsContact CD2-CB 3.49Å; H177-P241 WeakPolarHBondContact CD2-CB 3.15Å; H177-L242 HydrophobicContact CB-CD1 3.96Å; H177-L242 HydrophobicContact CB-CD2 4.47Å; H177-L242 HydrophobicContact CB-CG 4.03Å; H177-D260 IonicContact CD2-OD2 2.86Å; H177-D260 IonicContact CE1-OD2 2.87Å; H177-D260 PolarHBondContact CE1-OD2 2.8Å; H177-D260 IonicContact NE2-OD2 2.8Å; H177-D260 PolarHBondContact NE2-OD2 2.88Å; H177-E261 IonicContact CD2-OE2 2.64Å
178A87.8Confident76.5Confident0 Ų080.5 Ų80.50%044%0.438CS..THydrogen-bonded Turntrans-62-40.6-172.900000113E174 S175 D267 H273E174-A178 HydrophobicContact CG-CB 4.38Å; S175-A178 WeakPolarHBondContact O-CB 3.45Å; S175-A178 PolarHBondContact O-N 2.87Å; A178-D267 HydrophobicContact CB-CB 4.35Å; A178-H273 PolarHBondContact O-CE1 3.3Å; A178-H273 VanDerWaalsContact O-CE1 3.26Å
179A87.1Confident78.8Confident49 Ų4982.9 Ų82.941%0.40544%0.444SS..THydrogen-bonded Turntrans-73.2-35.7-176.500000113.6H177 K269H177-A179 PolarHBondContact O-N 2.74Å; A179-K269 PolarHBondContact O-NZ 3.17Å
180D87.4Confident80.8Confident139 Ų13981.3 Ų81.374%0.74342%0.424SS*.THydrogen-bonded Turntrans-11516.5-169-66.5-40.7000113.2H177 K182H177-D180 PolarHBondContact O-N 3.42Å; D180-K182 PolarHBondContact O-N 3.06Å; D180-K182 VanDerWaalsContact O-N 3.16Å
181L89.7Confident82.1Confident21 Ų2179.3 Ų79.311%0.1142%0.421CS..PPolyproline II helixtrans-60.9119.3-179.3-167.770.9000110.4H177 Q183 L210 P241 L242H177-L181 WeakPolarHBondContact O-CA 3.47Å; H177-L181 WeakPolarHBondContact O-CB 3.45Å; H177-L181 PolarHBondContact O-N 2.98Å; L181-Q183 PolarHBondContact O-N 3.08Å; L181-L210 HydrophobicContact CD2-CB 3.54Å; L181-P241 HydrophobicContact CD1-CG 4.05Å; L181-L242 HydrophobicContact CD1-CB 4.31Å; L181-L242 HydrophobicContact CD1-CD1 4.12Å; L181-L242 HydrophobicContact CD1-CG 4.21Å; L181-L242 HydrophobicContact CD2-CB 4.42Å; L181-L242 HydrophobicContact CD2-CD1 4.18Å
182K89.5Confident82.8Confident171 Ų17179 Ų7974%0.74342%0.421SS*.PPolyproline II helixtrans-83118.3174.5-65.8178.3-176.7172.20108.9D180 T211D180-K182 PolarHBondContact O-N 3.06Å; D180-K182 VanDerWaalsContact O-N 3.16Å; K182-T211 WeakPolarHBondContact O-CG2 3.38Å; K182-T211 PolarHBondContact O-OG1 3.27Å
183Q91.7Very high83.3Confident46 Ų4680.5 Ų80.522%0.21544%0.439CS..PPolyproline II helixtrans-98134.6171.4-54.4-166.2-78.700110.1L181 L210 T211 H273 H276 F277L181-Q183 PolarHBondContact O-N 3.08Å; Q183-L210 WeakPolarHBondContact CG-O 3.44Å; Q183-L210 PolarHBondContact NE2-O 3.08Å; Q183-T211 WeakPolarHBondContact CA-O 3.4Å; Q183-H273 PolarHBondContact NE2-O 3.17Å; Q183-H276 VanDerWaalsContact OE1-CB 3.23Å; Q183-F277 VanDerWaalsContact NE2-CE2 3.27Å
184L90.4Very high83.1Confident73 Ų7376 Ų7638%0.38244%0.435SS..PPolyproline II helixtrans-84.5134.1179.9-60-178.6000110.5N186 T211 D212 Y240 H276L184-N186 VanDerWaalsContact C-N 3.26Å; L184-N186 PolarHBondContact O-N 3.18Å; L184-T211 HydrophobicContact CD1-CG2 4.47Å; L184-T211 HydrophobicContact CG-CG2 4.14Å; L184-T211 PolarHBondContact N-O 2.78Å; L184-D212 HydrophobicContact CD1-CB 4.11Å; L184-Y240 HydrophobicContact CD1-CE2 4.36Å; L184-H276 PolarHBondContact O-NE2 3.43Å
185D80.8Confident83.1Confident154 Ų15472 Ų7282%0.82442%0.415SS*.  trans-81.173169.5-82.3-37.8000110.4H276D185-H276 IonicContact OD1-CE1 2.8Å; D185-H276 PolarHBondContact OD1-CE1 3.3Å; D185-H276 IonicContact OD1-NE2 2.72Å
186N80.9Confident82.9Confident74 Ų7479 Ų7940%0.39644%0.441SS..  trans-98.35.7178.9630.8000113.7L184 V188 D212L184-N186 VanDerWaalsContact C-N 3.26Å; L184-N186 PolarHBondContact O-N 3.18Å; N186-V188 HydrophobicContact CB-CG2 4.39Å; N186-V188 VanDerWaalsContact CG-CG2 3.47Å; N186-V188 WeakPolarHBondContact ND2-CG2 3.39Å; N186-V188 PolarHBondContact O-N 3.35Å; N186-V188 WeakPolarHBondContact OD1-CB 3.5Å; N186-V188 VanDerWaalsContact OD1-CG2 3.31Å; N186-V188 WeakPolarHBondContact OD1-CG2 3.43Å; N186-V188 PolarHBondContact OD1-N 2.96Å; N186-D212 PolarHBondContact ND2-O 3.24Å
187G75.6Confident82.7Confident74 Ų7473.3 Ų73.376%0.76342%0.416SS*.  trans71.510.2178.500000114.7
188V83.3Confident82.6Confident50 Ų5076.5 Ų76.530%0.30343%0.431SS..  trans-72.8129.6179.5175.50000110N186 I190N186-V188 HydrophobicContact CB-CG2 4.39Å; N186-V188 VanDerWaalsContact CG-CG2 3.47Å; N186-V188 WeakPolarHBondContact ND2-CG2 3.39Å; N186-V188 PolarHBondContact O-N 3.35Å; N186-V188 WeakPolarHBondContact OD1-CB 3.5Å; N186-V188 VanDerWaalsContact OD1-CG2 3.31Å; N186-V188 WeakPolarHBondContact OD1-CG2 3.43Å; N186-V188 PolarHBondContact OD1-N 2.96Å; V188-I190 HydrophobicContact CG1-CD1 3.61Å; V188-I190 HydrophobicContact CG1-CG1 4.19Å
189K83.9Confident82.7Confident141 Ų14180.8 Ų80.861%0.61346%0.457SS*.  trans-123.1127.3171.5-68.5-62.7-178.2-169.60109.2H276 F277K189-H276 PolarHBondContact NZ-O 3.24Å; K189-F277 WeakPolarHBondContact CA-O 3.48Å; K189-F277 WeakPolarHBondContact CD-O 3.44Å
190I82.2Confident82.6Confident18 Ų1880.4 Ų80.49%0.09245%0.451CS..  trans-96.7126.3-172.6-60.3-62.1000109.3V188 M208 G213 V215 L246 F277 I279V188-I190 HydrophobicContact CG1-CD1 3.61Å; V188-I190 HydrophobicContact CG1-CG1 4.19Å; I190-M208 HydrophobicContact CB-SD 4.25Å; I190-M208 HydrophobicContact CD1-SD 4.43Å; I190-M208 HydrophobicContact CG1-SD 3.64Å; I190-M208 HydrophobicContact CG2-SD 4.2Å; I190-G213 WeakPolarHBondContact CD1-O 3.39Å; I190-V215 HydrophobicContact CD1-CG2 3.78Å; I190-L246 HydrophobicContact CG2-CD2 4.34Å; I190-F277 HydrophobicContact CG1-CB 4.05Å; I190-F277 PolarHBondContact N-O 2.9Å; I190-I279 HydrophobicContact CB-CD1 3.98Å; I190-I279 HydrophobicContact CB-CG1 4.19Å; I190-I279 HydrophobicContact CG2-CD1 3.89Å; I190-I279 HydrophobicContact CG2-CG1 4.41Å
191P74.8Confident82.2Confident70 Ų7079 Ų7946%0.45544%0.443SS..  trans-65.7158.9178.528.1-34.7000110.8S193 W195P191-S193 VanDerWaalsContact C-N 3.27Å; P191-S193 PolarHBondContact O-N 3.34Å; P191-W195 PolarHBondContact O-NE1 3.06Å
192P65.7Low81.8Confident86 Ų8680.7 Ų80.756%0.55845%0.452SS*.SBendtrans-76.2-8.7-17830.9-36.9000114.5W195 M284P192-W195 VanDerWaalsContact O-CH2 3.29Å; P192-W195 WeakPolarHBondContact O-CH2 3.38Å; P192-W195 WeakPolarHBondContact O-CZ2 3.44Å; P192-M284 HydrophobicContact CB-CE 3.44Å; P192-M284 VanDerWaalsContact CB-CE 3.44Å; P192-M284 HydrophobicContact CB-SD 4.36Å
193S72.9Confident81.1Confident81 Ų8179.4 Ų79.457%0.56645%0.449SS*.SBendtrans-164.9173.9176.8580000110.6P191P191-S193 VanDerWaalsContact C-N 3.27Å; P191-S193 PolarHBondContact O-N 3.34Å
194G70.1Confident80.1Confident64 Ų6484.4 Ų84.466%0.6647%0.472SS*.  trans77.828.1176.500000113.7
195W81.6Confident79.6Confident29 Ų2981.6 Ų81.611%0.1146%0.457CS..  trans-67.8141.5178.7-49-68000110.9P191 P192 I206 V215 L246P191-W195 PolarHBondContact O-NE1 3.06Å; P192-W195 VanDerWaalsContact O-CH2 3.29Å; P192-W195 WeakPolarHBondContact O-CH2 3.38Å; P192-W195 WeakPolarHBondContact O-CZ2 3.44Å; W195-I206 HydrophobicContact CB-CG2 4.15Å; W195-V215 HydrophobicContact CB-CG1 4.11Å; W195-L246 HydrophobicContact CB-CD1 3.99Å; W195-L246 HydrophobicContact CD2-CB 3.74Å; W195-L246 HydrophobicContact CD2-CD1 3.85Å; W195-L246 HydrophobicContact CD2-CG 4.37Å; W195-L246 HydrophobicContact CE3-CB 3.74Å; W195-L246 HydrophobicContact CG-CB 4.3Å; W195-L246 HydrophobicContact CG-CD1 3.53Å; W195-L246 HydrophobicContact CH2-CB 4.22Å; W195-L246 WeakPolarHBondContact CH2-O 3.47Å; W195-L246 HydrophobicContact CZ2-CB 4.22Å; W195-L246 HydrophobicContact CZ3-CB 3.99Å; W195-L246 WeakPolarHBondContact CZ3-O 3.49Å
196R84.3Confident79.8Confident151 Ų15174.3 Ų74.357%0.5742%0.418SS*.  trans-136.9146.9171.962.7-178.3179.7-85.2-2.3108.7E198 D201 L202 Q203R196-E198 PolarHBondContact O-N 2.87Å; R196-D201 IonicContact NE-OD1 3.05Å; R196-L202 CarbonylContact C-O 3.56Å; R196-L202 VanDerWaalsContact CA-O 3.24Å; R196-L202 WeakPolarHBondContact CA-O 3.35Å; R196-Q203 HydrophobicContact CB-CG 4.26Å
197C86.1Confident80.4Confident0 Ų071.2 Ų71.20%040%0.401CS..  trans-59.1125.8173176.40000109.3V199 D201 L202 I206 C217C197-V199 PolarHBondContact O-N 3.06Å; C197-V199 VanDerWaalsContact O-N 3.07Å; C197-V199 PolarHBondContact SG-N 3.31Å; C197-D201 WeakPolarHBondContact O-CA 3.1Å; C197-D201 PolarHBondContact O-N 2.71Å; C197-L202 HydrophobicContact CB-CB 4.22Å; C197-L202 PolarHBondContact N-O 3.43Å; C197-I206 HydrophobicContact CB-CD1 4.21Å; C197-C217 HydrophobicContact CB-CB 3.93Å; C197-C217 PolarHBondContact SG-N 3.21Å; C197-C217 VanDerWaalsContact SG-N 3.41Å; C197-C217 VanDerWaalsContact SG-SG 3.63Å
198E89.2Confident81.2Confident115 Ų11567.7 Ų67.754%0.53737%0.365SS..THydrogen-bonded Turntrans-63.8-14.1-179.1-69.4175.7-141.100114R196 V215 L216R196-E198 PolarHBondContact O-N 2.87Å; E198-V215 HydrophobicContact CG-CB 4.48Å; E198-V215 PolarHBondContact N-O 3.29Å; E198-V215 PolarHBondContact OE1-N 3.27Å; E198-L216 HydrophobicContact CB-CD2 4.48Å
199V88.7Confident81.7Confident91 Ų9165.5 Ų65.555%0.55235%0.352SS*.THydrogen-bonded Turntrans-104-39.7-176.6-172.80000113.2C197 L216 H230C197-V199 PolarHBondContact O-N 3.06Å; C197-V199 VanDerWaalsContact O-N 3.07Å; C197-V199 PolarHBondContact SG-N 3.31Å; V199-L216 HydrophobicContact CG2-CD2 3.84Å; V199-H230 VanDerWaalsContact CG1-NE2 3.31Å; V199-H230 WeakPolarHBondContact CG1-NE2 3.47Å; V199-H230 HydrophobicContact CG2-CB 4.42Å
200C85.4Confident82.2Confident40 Ų4058.8 Ų58.827%0.2732%0.322SS..THydrogen-bonded Turntrans-133.113.8-170.367.30000114.8L202 N228 H230C200-L202 PolarHBondContact O-N 2.88Å; C200-N228 PolarHBondContact SG-ND2 3.5Å; C200-H230 PolarHBondContact SG-CE1 3.33Å; C200-H230 PolarHBondContact SG-ND1 3.19Å; C200-H230 VanDerWaalsContact SG-ND1 3.37Å
201D79.8Confident82.7Confident110 Ų11058.3 Ų58.359%0.58832%0.32SS*.  trans59.86174.6-66.4-46.9000116.8R196 C197 Q203R196-D201 IonicContact NE-OD1 3.05Å; C197-D201 WeakPolarHBondContact O-CA 3.1Å; C197-D201 PolarHBondContact O-N 2.71Å; D201-Q203 PolarHBondContact O-N 2.71Å
202L80.1Confident83.6Confident56 Ų5655.6 Ų55.629%0.29330%0.302SS..  trans-54.2138171.5-81.9173.4000110.9R196 C197 C200 I206 C217 N228R196-L202 CarbonylContact C-O 3.56Å; R196-L202 VanDerWaalsContact CA-O 3.24Å; R196-L202 WeakPolarHBondContact CA-O 3.35Å; C197-L202 HydrophobicContact CB-CB 4.22Å; C197-L202 PolarHBondContact N-O 3.43Å; C200-L202 PolarHBondContact O-N 2.88Å; L202-I206 HydrophobicContact CB-CD1 4.38Å; L202-I206 WeakPolarHBondContact O-CD1 3.39Å; L202-C217 HydrophobicContact CB-CB 4.15Å; L202-C217 HydrophobicContact CD1-CB 3.82Å; L202-N228 WeakPolarHBondContact CD1-ND2 3.36Å
203Q75.3Confident84.7Confident144 Ų14451.5 Ų51.567%0.67328%0.276SS*.  trans-109.3-4.4-177.6-63.3-179.29.900113.4R196 D201R196-Q203 HydrophobicContact CB-CG 4.26Å; D201-Q203 PolarHBondContact O-N 2.71Å
204E71.2Confident85.7Confident152 Ų15251.5 Ų51.571%0.7127%0.265SS*.SBendtrans-119.2151.1-178.6-61.7-175.7176.700110.5I206E204-I206 WeakPolarHBondContact O-CD1 3.45Å
205N78.6Confident86.7Confident13 Ų1348.9 Ų48.97%0.0724%0.237CC..SBendtrans5854-178.9-16615.7000112.3W207 G218 E288N205-W207 PolarHBondContact OD1-NE1 2.77Å; N205-G218 PolarHBondContact O-N 2.66Å; N205-E288 PolarHBondContact N-OE1 2.96Å
206I86.5Confident87.2Confident1 Ų147.8 Ų47.81%0.00523%0.233CC..EExtended strand (participates in β ladder)trans-101.8128.4-173-54-56000111.2W195 C197 L202 E204 V215 C217 L246W195-I206 HydrophobicContact CB-CG2 4.15Å; C197-I206 HydrophobicContact CB-CD1 4.21Å; L202-I206 HydrophobicContact CB-CD1 4.38Å; L202-I206 WeakPolarHBondContact O-CD1 3.39Å; E204-I206 WeakPolarHBondContact O-CD1 3.45Å; I206-V215 HydrophobicContact CG2-CG1 3.18Å; I206-C217 HydrophobicContact CD1-CB 4.1Å; I206-L246 HydrophobicContact CG2-CD1 4.05Å; I206-L246 PolarHBondContact O-N 3.3Å
207W92.3Very high87.4Confident9 Ų940.6 Ų40.63%0.03421%0.206CC..EExtended strand (participates in β ladder)trans-114.9132.3-177.2-63.578.6000109.6N205 L216 G218 A231 A243 V244 K245 Y257 M264 M291N205-W207 PolarHBondContact OD1-NE1 2.77Å; W207-L216 PolarHBondContact N-O 3.17Å; W207-L216 PolarHBondContact O-N 3.16Å; W207-G218 VanDerWaalsContact CD1-CA 3.42Å; W207-A231 HydrophobicContact CB-CB 4.15Å; W207-A243 HydrophobicContact CB-CB 4.33Å; W207-A243 HydrophobicContact CE3-CB 4.27Å; W207-V244 CarbonylContact C-O 3.56Å; W207-V244 WeakPolarHBondContact CA-O 3.42Å; W207-K245 HydrophobicContact CD2-CB 4.16Å; W207-K245 HydrophobicContact CD2-CG 4.48Å; W207-K245 HydrophobicContact CE3-CB 3.98Å; W207-K245 HydrophobicContact CH2-CB 4.08Å; W207-K245 HydrophobicContact CH2-CD 4.4Å; W207-K245 HydrophobicContact CZ2-CB 4.24Å; W207-K245 HydrophobicContact CZ2-CD 3.98Å; W207-K245 HydrophobicContact CZ2-CG 4.37Å; W207-K245 HydrophobicContact CZ3-CB 3.92Å; W207-Y257 VanDerWaalsContact CZ3-CB 3.47Å; W207-M264 HydrophobicContact CH2-SD 4.34Å; W207-M291 HydrophobicContact CH2-CG 4.3Å; W207-M291 HydrophobicContact CZ2-CE 4.48Å; W207-M291 HydrophobicContact CZ2-CG 4.09Å; W207-M291 HydrophobicContact CZ2-SD 3.84Å
208M93.1Very high87.3Confident0 Ų040.7 Ų40.70%021%0.206CC..EExtended strand (participates in β ladder)trans-102.9124.9172.3-177-175.173.700109.4I190 L210 K214 V215 A243 V244 L246 L274 F277 I279I190-M208 HydrophobicContact CB-SD 4.25Å; I190-M208 HydrophobicContact CD1-SD 4.43Å; I190-M208 HydrophobicContact CG1-SD 3.64Å; I190-M208 HydrophobicContact CG2-SD 4.2Å; M208-L210 HydrophobicContact CE-CD2 3.91Å; M208-L210 PolarHBondContact O-N 3.23Å; M208-K214 VanDerWaalsContact CA-O 3.32Å; M208-K214 WeakPolarHBondContact CA-O 3.39Å; M208-V215 HydrophobicContact CG-CG2 4.49Å; M208-A243 CarbonylContact O-C 3.48Å; M208-A243 WeakPolarHBondContact O-CA 3.36Å; M208-A243 WeakPolarHBondContact O-CB 3.39Å; M208-V244 HydrophobicContact CB-CG1 4.03Å; M208-V244 HydrophobicContact CE-CG1 3.61Å; M208-V244 PolarHBondContact N-O 2.81Å; M208-V244 PolarHBondContact O-N 3.4Å; M208-L246 HydrophobicContact CB-CD1 3.96Å; M208-L246 HydrophobicContact CB-CD2 3.65Å; M208-L246 HydrophobicContact CB-CG 3.74Å; M208-L246 HydrophobicContact CE-CD2 4.34Å; M208-L246 HydrophobicContact CG-CD2 4.37Å; M208-L246 HydrophobicContact SD-CD2 3.91Å; M208-L274 HydrophobicContact CE-CD2 3.63Å; M208-F277 HydrophobicContact CE-CD2 3.91Å; M208-F277 HydrophobicContact SD-CB 4.45Å; M208-F277 HydrophobicContact SD-CD2 4.32Å; M208-F277 HydrophobicContact SD-CG 4.42Å; M208-I279 HydrophobicContact CE-CD1 3.92Å; M208-I279 HydrophobicContact SD-CD1 3.94Å
209N94.2Very high86.7Confident5 Ų538.9 Ų38.93%0.02720%0.195CC..EExtended strand (participates in β ladder)trans-70.6129.3172.8-172.3-77.8000110.3T211 D212 G213 K214 Y240N209-T211 VanDerWaalsContact C-N 3.28Å; N209-T211 PolarHBondContact O-N 2.93Å; N209-T211 WeakPolarHBondContact OD1-CA 3.34Å; N209-T211 VanDerWaalsContact OD1-CB 3.26Å; N209-T211 WeakPolarHBondContact OD1-CB 3.48Å; N209-T211 PolarHBondContact OD1-N 2.77Å; N209-D212 WeakPolarHBondContact CB-OD1 3.43Å; N209-D212 PolarHBondContact OD1-N 3.12Å; N209-D212 PolarHBondContact OD1-OD1 2.99Å; N209-G213 VanDerWaalsContact O-CA 3.25Å; N209-G213 WeakPolarHBondContact O-CA 3.3Å; N209-G213 PolarHBondContact O-N 2.63Å; N209-K214 PolarHBondContact N-O 3.04Å; N209-Y240 VanDerWaalsContact ND2-CB 3.34Å; N209-Y240 WeakPolarHBondContact ND2-CB 3.39Å; N209-Y240 PolarHBondContact ND2-O 3.2Å; N209-Y240 VanDerWaalsContact ND2-O 3.11Å; N209-Y240 WeakPolarHBondContact OD1-CB 3.03Å
210L93.7Very high86Confident0 Ų042 Ų420%020%0.196CC..THydrogen-bonded Turntrans-78.4-9.2-174.7-70171.6000113.2L181 Q183 M208 L242 V244 V256 L270 H273 L274 F277L181-L210 HydrophobicContact CD2-CB 3.54Å; Q183-L210 WeakPolarHBondContact CG-O 3.44Å; Q183-L210 PolarHBondContact NE2-O 3.08Å; M208-L210 HydrophobicContact CE-CD2 3.91Å; M208-L210 PolarHBondContact O-N 3.23Å; L210-L242 HydrophobicContact CB-CB 4.3Å; L210-L242 HydrophobicContact CD1-CB 3.99Å; L210-L242 PolarHBondContact N-O 3.4Å; L210-V244 HydrophobicContact CD1-CB 4.39Å; L210-V244 HydrophobicContact CD2-CB 4.18Å; L210-V244 HydrophobicContact CD2-CG1 3.7Å; L210-V244 HydrophobicContact CG-CB 4.35Å; L210-V244 HydrophobicContact CG-CG1 4.21Å; L210-V256 HydrophobicContact CD1-CG1 4.17Å; L210-L270 HydrophobicContact CD1-CD1 4.2Å; L210-L270 HydrophobicContact CD2-CD1 4.42Å; L210-H273 HydrophobicContact CD2-CB 4.17Å; L210-L274 HydrophobicContact CD2-CD2 4.1Å; L210-F277 WeakPolarHBondContact O-CE2 3.48Å
211T93.6Very high84.8Confident7 Ų743.2 Ų43.24%0.04320%0.196CC..THydrogen-bonded Turntrans-87.3-47.4175.9-670000112.5K182 Q183 L184 N209 Y240K182-T211 WeakPolarHBondContact O-CG2 3.38Å; K182-T211 PolarHBondContact O-OG1 3.27Å; Q183-T211 WeakPolarHBondContact CA-O 3.4Å; L184-T211 HydrophobicContact CD1-CG2 4.47Å; L184-T211 HydrophobicContact CG-CG2 4.14Å; L184-T211 PolarHBondContact N-O 2.78Å; N209-T211 VanDerWaalsContact C-N 3.28Å; N209-T211 PolarHBondContact O-N 2.93Å; N209-T211 WeakPolarHBondContact OD1-CA 3.34Å; N209-T211 VanDerWaalsContact OD1-CB 3.26Å; N209-T211 WeakPolarHBondContact OD1-CB 3.48Å; N209-T211 PolarHBondContact OD1-N 2.77Å; T211-Y240 HydrophobicContact CG2-CD1 3.5Å; T211-Y240 VanDerWaalsContact CG2-CD1 3.5Å; T211-Y240 HydrophobicContact CG2-CD2 3.73Å; T211-Y240 HydrophobicContact CG2-CE1 3.69Å; T211-Y240 HydrophobicContact CG2-CE2 3.92Å; T211-Y240 HydrophobicContact CG2-CG 3.53Å
212D92.4Very high82.8Confident13 Ų1345.5 Ų45.57%0.0720%0.201CC..THydrogen-bonded Turntrans-120.2-2.3-173.471.8-7.7000114.7L184 N186 N209 K214 H234 Y240L184-D212 HydrophobicContact CD1-CB 4.11Å; N186-D212 PolarHBondContact ND2-O 3.24Å; N209-D212 WeakPolarHBondContact CB-OD1 3.43Å; N209-D212 PolarHBondContact OD1-N 3.12Å; N209-D212 PolarHBondContact OD1-OD1 2.99Å; D212-K214 PolarHBondContact O-N 3.22Å; D212-K214 PolarHBondContact OD1-N 3.26Å; D212-K214 VanDerWaalsContact OD1-N 3.15Å; D212-H234 IonicContact OD1-NE2 3.65Å; D212-H234 PolarHBondContact OD1-NE2 3.38Å; D212-H234 IonicContact OD2-CE1 2.85Å; D212-H234 PolarHBondContact OD2-CE1 2.92Å; D212-H234 IonicContact OD2-NE2 2.75Å; D212-H234 PolarHBondContact OD2-NE2 3.48Å; D212-Y240 HydrophobicContact CB-CD2 4.1Å; D212-Y240 HydrophobicContact CB-CE2 3.79Å; D212-Y240 WeakPolarHBondContact OD2-CE2 3.29Å
213G90.4Very high81Confident1 Ų146.7 Ų46.71%0.0121%0.207CC..  trans72.611.4176.400000114.2I190 N209 F277I190-G213 WeakPolarHBondContact CD1-O 3.39Å; N209-G213 VanDerWaalsContact O-CA 3.25Å; N209-G213 WeakPolarHBondContact O-CA 3.3Å; N209-G213 PolarHBondContact O-N 2.63Å; G213-F277 VanDerWaalsContact N-CZ 3.28Å
214K92.3Very high79.7Confident81 Ų8142 Ų4235%0.35220%0.198SC..  trans-66.1139.5175.1-82.6-151.3-166.5170.10112M208 N209 D212 L216 H234M208-K214 VanDerWaalsContact CA-O 3.32Å; M208-K214 WeakPolarHBondContact CA-O 3.39Å; N209-K214 PolarHBondContact N-O 3.04Å; D212-K214 PolarHBondContact O-N 3.22Å; D212-K214 PolarHBondContact OD1-N 3.26Å; D212-K214 VanDerWaalsContact OD1-N 3.15Å; K214-L216 HydrophobicContact CB-CD1 4.25Å; K214-L216 HydrophobicContact CB-CG 4.33Å; K214-H234 VanDerWaalsContact CD-CE1 3.47Å; K214-H234 WeakPolarHBondContact CD-CE1 3.38Å
215V91.5Very high79Confident9 Ų937.1 Ų37.16%0.05518%0.181CC..EExtended strand (participates in β ladder)trans-107.6110.1-176.9-179.30000110.5I190 W195 E198 I206 M208 L246I190-V215 HydrophobicContact CD1-CG2 3.78Å; W195-V215 HydrophobicContact CB-CG1 4.11Å; E198-V215 HydrophobicContact CG-CB 4.48Å; E198-V215 PolarHBondContact N-O 3.29Å; E198-V215 PolarHBondContact OE1-N 3.27Å; I206-V215 HydrophobicContact CG2-CG1 3.18Å; M208-V215 HydrophobicContact CG-CG2 4.49Å; V215-L246 HydrophobicContact CG1-CD1 3.81Å; V215-L246 HydrophobicContact CG2-CD1 4.03Å
216L92.9Very high78.5Confident6 Ų638 Ų383%0.03119%0.193CC..EExtended strand (participates in β ladder)trans-135.5150.3-167.8-59.1170.3000111.4E198 V199 W207 K214 H230 A231 H234E198-L216 HydrophobicContact CB-CD2 4.48Å; V199-L216 HydrophobicContact CG2-CD2 3.84Å; W207-L216 PolarHBondContact N-O 3.17Å; W207-L216 PolarHBondContact O-N 3.16Å; K214-L216 HydrophobicContact CB-CD1 4.25Å; K214-L216 HydrophobicContact CB-CG 4.33Å; L216-H230 HydrophobicContact CB-CB 4.15Å; L216-H230 HydrophobicContact CD2-CB 4.2Å; L216-A231 HydrophobicContact CB-CB 3.86Å; L216-H234 HydrophobicContact CD1-CB 3.23Å; L216-H234 VanDerWaalsContact CD1-CG 3.46Å
217C88.4Confident77.9Confident0 Ų038 Ų380%019%0.194CC..EExtended strand (participates in β ladder)trans-77.4149.9177.161.10000111.8C197 L202 I206 N228 H230 A231C197-C217 HydrophobicContact CB-CB 3.93Å; C197-C217 PolarHBondContact SG-N 3.21Å; C197-C217 VanDerWaalsContact SG-N 3.41Å; C197-C217 VanDerWaalsContact SG-SG 3.63Å; L202-C217 HydrophobicContact CB-CB 4.15Å; L202-C217 HydrophobicContact CD1-CB 3.82Å; I206-C217 HydrophobicContact CD1-CB 4.1Å; C217-N228 PolarHBondContact SG-N 3.08Å; C217-H230 PolarHBondContact O-N 3.45Å; C217-H230 PolarHBondContact SG-ND1 2.91Å; C217-A231 WeakPolarHBondContact O-CB 3.4Å; C217-A231 PolarHBondContact O-N 2.88Å
218G82.8Confident77.5Confident1 Ų140.9 Ų40.91%0.0121%0.209CC..  trans-70.1-166.5-177.100000114.6N205 W207 G227 N228 N229N205-G218 PolarHBondContact O-N 2.66Å; W207-G218 VanDerWaalsContact CD1-CA 3.42Å; G218-G227 CarbonylContact O-C 3.4Å; G218-G227 VanDerWaalsContact O-C 3.23Å; G218-G227 WeakPolarHBondContact O-CA 3.33Å; G218-N228 PolarHBondContact O-N 3.34Å; G218-N229 WeakPolarHBondContact O-CA 3.44Å; G218-N229 PolarHBondContact O-N 3.24Å
219R78.5Confident77.2Confident78 Ų7843.5 Ų43.529%0.29422%0.223SC..PPolyproline II helixtrans-68147.7-178.1-63.5-174.9-173.2-157.6-0.7112G227 N229 Y257 D262R219-G227 PolarHBondContact O-N 2.77Å; R219-N229 WeakPolarHBondContact CA-OD1 3.33Å; R219-Y257 PolarHBondContact NH2-OH 3.13Å; R219-D262 IonicContact CZ-OD1 2.78Å; R219-D262 IonicContact NH1-OD1 3.71Å; R219-D262 PolarHBondContact NH1-OD1 2.84Å; R219-D262 IonicContact NH2-OD1 2.66Å; R219-D262 PolarHBondContact NH2-OD1 2.79Å
220R73.7Confident76.9Confident155 Ų15544.9 Ų44.959%0.58523%0.23SC*.BIsolated β-bridgetrans-79.8125.2170.7-167.2174179.4-173.6-1.7108.8G227 N229R220-G227 WeakPolarHBondContact CA-O 3.26Å; R220-G227 WeakPolarHBondContact CB-O 3.5Å; R220-G227 WeakPolarHBondContact CG-O 3.4Å; R220-G227 PolarHBondContact N-O 3.39Å; R220-N229 PolarHBondContact N-OD1 3.13Å
221Y59.3Low76.7Confident66 Ų6645.1 Ų45.126%0.25923%0.232SC..PPolyproline II helixtrans-80.4157.9172.9-58.3-62.4000110.6D223 G224 S225 G226 M291Y221-D223 WeakPolarHBondContact CB-OD1 3.38Å; Y221-D223 PolarHBondContact O-N 3.11Å; Y221-G224 PolarHBondContact O-N 3.49Å; Y221-G224 VanDerWaalsContact O-N 3.09Å; Y221-S225 WeakPolarHBondContact CB-O 3.41Å; Y221-S225 WeakPolarHBondContact CD2-O 3.38Å; Y221-S225 PolarHBondContact N-O 3.38Å; Y221-G226 VanDerWaalsContact CD2-CA 3.47Å; Y221-M291 WeakPolarHBondContact OH-CE 3.41Å
222F38.8Very low76.5Confident158 Ų15846.6 Ų46.669%0.69324%0.239SC*.THydrogen-bonded Turntrans-64.3-18.7-176.671.8-90.3000113.5G224F222-G224 VanDerWaalsContact C-N 3.28Å
223D41.6Very low76.4Confident81 Ų8149.6 Ų49.643%0.43326%0.255SS..THydrogen-bonded Turntrans-87.64.5178.170.1-9.6000113Y221 S225Y221-D223 WeakPolarHBondContact CB-OD1 3.38Å; Y221-D223 PolarHBondContact O-N 3.11Å; D223-S225 VanDerWaalsContact C-N 3.26Å; D223-S225 PolarHBondContact O-N 2.93Å; D223-S225 VanDerWaalsContact OD1-CB 3.28Å; D223-S225 WeakPolarHBondContact OD1-CB 3.48Å; D223-S225 PolarHBondContact OD1-N 2.93Å; D223-S225 PolarHBondContact OD1-OG 3.42Å; D223-S225 PolarHBondContact OD2-OG 3.01Å; D223-S225 VanDerWaalsContact OD2-OG 3.09Å
224G48.6Very low76.5Confident47 Ų4749.9 Ų49.949%0.48526%0.256SS..SBendtrans83.5-7.1-177.600000114.4Y221 F222Y221-G224 PolarHBondContact O-N 3.49Å; Y221-G224 VanDerWaalsContact O-N 3.09Å; F222-G224 VanDerWaalsContact C-N 3.28Å
225S55.7Low76.5Confident48 Ų4847.8 Ų47.834%0.33625%0.247SC..  trans-85.5171.6173.980.50000111.7Y221 D223Y221-S225 WeakPolarHBondContact CB-O 3.41Å; Y221-S225 WeakPolarHBondContact CD2-O 3.38Å; Y221-S225 PolarHBondContact N-O 3.38Å; D223-S225 VanDerWaalsContact C-N 3.26Å; D223-S225 PolarHBondContact O-N 2.93Å; D223-S225 VanDerWaalsContact OD1-CB 3.28Å; D223-S225 WeakPolarHBondContact OD1-CB 3.48Å; D223-S225 PolarHBondContact OD1-N 2.93Å; D223-S225 PolarHBondContact OD1-OG 3.42Å; D223-S225 PolarHBondContact OD2-OG 3.01Å; D223-S225 VanDerWaalsContact OD2-OG 3.09Å
226G67.3Low76.4Confident33 Ų3353.5 Ų53.534%0.3427%0.273SS..BIsolated β-bridgetrans99-146.3-178.500000113.5Y221Y221-G226 VanDerWaalsContact CD2-CA 3.47Å
227G75.7Confident76.4Confident1 Ų160.9 Ų60.91%0.0131%0.307CS..  trans-99.6-170.5176.300000113.1G218 R219 R220G218-G227 CarbonylContact O-C 3.4Å; G218-G227 VanDerWaalsContact O-C 3.23Å; G218-G227 WeakPolarHBondContact O-CA 3.33Å; R219-G227 PolarHBondContact O-N 2.77Å; R220-G227 WeakPolarHBondContact CA-O 3.26Å; R220-G227 WeakPolarHBondContact CB-O 3.5Å; R220-G227 WeakPolarHBondContact CG-O 3.4Å; R220-G227 PolarHBondContact N-O 3.39Å
228N82.9Confident76.5Confident68 Ų6863.1 Ų63.136%0.36432%0.321SS..  trans-110.425.7-177.9-71.4-37.4000112.7C200 L202 C217 G218 H230C200-N228 PolarHBondContact SG-ND2 3.5Å; L202-N228 WeakPolarHBondContact CD1-ND2 3.36Å; C217-N228 PolarHBondContact SG-N 3.08Å; G218-N228 PolarHBondContact O-N 3.34Å; N228-H230 VanDerWaalsContact CB-CE1 3.49Å; N228-H230 WeakPolarHBondContact CB-CE1 3.3Å; N228-H230 PolarHBondContact O-N 2.7Å; N228-H230 VanDerWaalsContact O-N 3.12Å
229N85.9Confident76.9Confident55 Ų5565.3 Ų65.329%0.29434%0.343SS..SBendtrans62.69.9-178.9-62.9-36.5000115.6G218 R219 R220 A231 L232 L233G218-N229 WeakPolarHBondContact O-CA 3.44Å; G218-N229 PolarHBondContact O-N 3.24Å; R219-N229 WeakPolarHBondContact CA-OD1 3.33Å; R220-N229 PolarHBondContact N-OD1 3.13Å; N229-A231 VanDerWaalsContact C-N 3.29Å; N229-A231 PolarHBondContact O-N 2.95Å; N229-L232 PolarHBondContact O-N 3Å; N229-L232 VanDerWaalsContact O-N 3.09Å; N229-L233 WeakPolarHBondContact O-CG 3.33Å; N229-L233 PolarHBondContact O-N 2.93Å
230H89.4Confident77.7Confident35 Ų3564.6 Ų64.616%0.16234%0.341CS..Hα-helixtrans-62.4-35-175.2-67.9124.5000113.3V199 C200 L216 C217 N228 L232 L233 H234V199-H230 VanDerWaalsContact CG1-NE2 3.31Å; V199-H230 WeakPolarHBondContact CG1-NE2 3.47Å; V199-H230 HydrophobicContact CG2-CB 4.42Å; C200-H230 PolarHBondContact SG-CE1 3.33Å; C200-H230 PolarHBondContact SG-ND1 3.19Å; C200-H230 VanDerWaalsContact SG-ND1 3.37Å; L216-H230 HydrophobicContact CB-CB 4.15Å; L216-H230 HydrophobicContact CD2-CB 4.2Å; C217-H230 PolarHBondContact O-N 3.45Å; C217-H230 PolarHBondContact SG-ND1 2.91Å; N228-H230 VanDerWaalsContact CB-CE1 3.49Å; N228-H230 WeakPolarHBondContact CB-CE1 3.3Å; N228-H230 PolarHBondContact O-N 2.7Å; N228-H230 VanDerWaalsContact O-N 3.12Å; H230-L232 VanDerWaalsContact C-N 3.35Å; H230-L233 PolarHBondContact O-N 3.13Å; H230-H234 WeakPolarHBondContact O-CB 3.2Å; H230-H234 PolarHBondContact O-N 3.2Å
231A88.5Confident78.6Confident5 Ų557.8 Ų57.84%0.04132%0.317CS..Hα-helixtrans-67.1-35.8176.400000112.6W207 L216 C217 N229 F235 Y259W207-A231 HydrophobicContact CB-CB 4.15Å; L216-A231 HydrophobicContact CB-CB 3.86Å; C217-A231 WeakPolarHBondContact O-CB 3.4Å; C217-A231 PolarHBondContact O-N 2.88Å; N229-A231 VanDerWaalsContact C-N 3.29Å; N229-A231 PolarHBondContact O-N 2.95Å; A231-F235 PolarHBondContact O-N 3.22Å; A231-Y259 WeakPolarHBondContact CB-OH 3.34Å
232L88.9Confident80.3Confident37 Ų3754.7 Ų54.719%0.19431%0.305CS..Hα-helixtrans-70.8-43.6174.4177.364.2000111.8N229 H230 H234 F235 Q236 Y259N229-L232 PolarHBondContact O-N 3Å; N229-L232 VanDerWaalsContact O-N 3.09Å; H230-L232 VanDerWaalsContact C-N 3.35Å; L232-H234 VanDerWaalsContact C-N 3.3Å; L232-H234 PolarHBondContact O-N 3.41Å; L232-F235 HydrophobicContact CD1-CD1 4.39Å; L232-F235 WeakPolarHBondContact O-CB 3.42Å; L232-F235 PolarHBondContact O-N 2.94Å; L232-Q236 WeakPolarHBondContact O-CG 3.47Å; L232-Q236 PolarHBondContact O-N 3.33Å; L232-Y259 HydrophobicContact CB-CD1 4.47Å; L232-Y259 HydrophobicContact CB-CE1 4.02Å; L232-Y259 HydrophobicContact CD1-CD1 3.67Å; L232-Y259 HydrophobicContact CD1-CE1 4.05Å
233L90.3Very high83Confident76 Ų7647.2 Ų47.240%0.39827%0.273SS..Hα-helixtrans-60.6-41.7176.5-71.2169.2000111.1N229 H230 F235 Q236 E237N229-L233 WeakPolarHBondContact O-CG 3.33Å; N229-L233 PolarHBondContact O-N 2.93Å; H230-L233 PolarHBondContact O-N 3.13Å; L233-F235 VanDerWaalsContact C-N 3.34Å; L233-F235 PolarHBondContact O-N 3.04Å; L233-Q236 WeakPolarHBondContact O-CB 3.49Å; L233-Q236 PolarHBondContact O-N 2.93Å; L233-Q236 VanDerWaalsContact O-N 3.14Å; L233-E237 WeakPolarHBondContact O-CG 3.38Å; L233-E237 PolarHBondContact O-N 3.48Å
234H92.5Very high85.4Confident8 Ų843.4 Ų43.44%0.03725%0.252CS..Hα-helixtrans-62.7-39.5175.6-178.270.9000112.4D212 K214 L216 H230 L232 E237 T238 Y240D212-H234 IonicContact OD1-NE2 3.65Å; D212-H234 PolarHBondContact OD1-NE2 3.38Å; D212-H234 IonicContact OD2-CE1 2.85Å; D212-H234 PolarHBondContact OD2-CE1 2.92Å; D212-H234 IonicContact OD2-NE2 2.75Å; D212-H234 PolarHBondContact OD2-NE2 3.48Å; K214-H234 VanDerWaalsContact CD-CE1 3.47Å; K214-H234 WeakPolarHBondContact CD-CE1 3.38Å; L216-H234 HydrophobicContact CD1-CB 3.23Å; L216-H234 VanDerWaalsContact CD1-CG 3.46Å; H230-H234 WeakPolarHBondContact O-CB 3.2Å; H230-H234 PolarHBondContact O-N 3.2Å; L232-H234 VanDerWaalsContact C-N 3.3Å; L232-H234 PolarHBondContact O-N 3.41Å; H234-E237 PolarHBondContact O-N 3.38Å; H234-T238 WeakPolarHBondContact O-CB 2.87Å; H234-T238 WeakPolarHBondContact O-CG2 3.24Å; H234-T238 PolarHBondContact O-N 2.89Å; H234-T238 PolarHBondContact O-OG1 3.38Å; H234-Y240 AromaticContact NE2-CD2 3.89Å
235F93.1Very high87.3Confident36 Ų3641.1 Ų41.116%0.15823%0.229CC..Hα-helixtrans-61.4-44.4170.7165.6-108.7000112A231 L232 L233 E237 T238 G239 Y240 P241 Y259 D260A231-F235 PolarHBondContact O-N 3.22Å; L232-F235 HydrophobicContact CD1-CD1 4.39Å; L232-F235 WeakPolarHBondContact O-CB 3.42Å; L232-F235 PolarHBondContact O-N 2.94Å; L233-F235 VanDerWaalsContact C-N 3.34Å; L233-F235 PolarHBondContact O-N 3.04Å; F235-E237 VanDerWaalsContact C-N 3.26Å; F235-E237 PolarHBondContact O-N 2.93Å; F235-T238 PolarHBondContact O-N 3.26Å; F235-G239 VanDerWaalsContact O-CA 3.3Å; F235-G239 WeakPolarHBondContact O-CA 3.48Å; F235-G239 PolarHBondContact O-N 3.5Å; F235-Y240 WeakPolarHBondContact CD2-O 3.3Å; F235-P241 HydrophobicContact CE2-CB 4.49Å; F235-Y259 HydrophobicContact CB-CD1 4.41Å; F235-Y259 HydrophobicContact CB-CD2 4.02Å; F235-Y259 HydrophobicContact CB-CG 3.87Å; F235-Y259 HydrophobicContact CD1-CD1 4.49Å; F235-Y259 HydrophobicContact CD1-CG 4.11Å; F235-Y259 HydrophobicContact CD2-CG 4.44Å; F235-Y259 HydrophobicContact CG-CD2 4.34Å; F235-Y259 AromaticContact CG-CG 3.87Å; F235-Y259 HydrophobicContact CG-CG 3.87Å; F235-D260 HydrophobicContact CE2-CB 4.25Å; F235-D260 HydrophobicContact CZ-CB 4.04Å
236Q90.4Very high88.5Confident130 Ų13039 Ų3961%0.60721%0.214SC*.Hα-helixtrans-62.2-33179-70.3174.2-7.800112.8L232 L233L232-Q236 WeakPolarHBondContact O-CG 3.47Å; L232-Q236 PolarHBondContact O-N 3.33Å; L233-Q236 WeakPolarHBondContact O-CB 3.49Å; L233-Q236 PolarHBondContact O-N 2.93Å; L233-Q236 VanDerWaalsContact O-N 3.14Å
237E92.1Very high88.9Confident160 Ų16037.5 Ų37.575%0.74820%0.198SC*.Hα-helixtrans-79.8-35178.1-71.1178.7177.800113.5L233 H234 F235L233-E237 WeakPolarHBondContact O-CG 3.38Å; L233-E237 PolarHBondContact O-N 3.48Å; H234-E237 PolarHBondContact O-N 3.38Å; F235-E237 VanDerWaalsContact C-N 3.26Å; F235-E237 PolarHBondContact O-N 2.93Å
238T90.9Very high88.8Confident47 Ų4737.8 Ų37.829%0.28820%0.2SC..Hα-helixtrans-108.7-25.2-169.2610000114.7H234 F235 Y240H234-T238 WeakPolarHBondContact O-CB 2.87Å; H234-T238 WeakPolarHBondContact O-CG2 3.24Å; H234-T238 PolarHBondContact O-N 2.89Å; H234-T238 PolarHBondContact O-OG1 3.38Å; F235-T238 PolarHBondContact O-N 3.26Å; T238-Y240 VanDerWaalsContact C-N 3.29Å; T238-Y240 HydrophobicContact CG2-CD2 4.03Å; T238-Y240 HydrophobicContact CG2-CE2 3.82Å; T238-Y240 VanDerWaalsContact OG1-CD2 3.3Å; T238-Y240 WeakPolarHBondContact OG1-CD2 3.22Å; T238-Y240 VanDerWaalsContact OG1-CG 3.31Å; T238-Y240 PolarHBondContact OG1-N 3.03Å
239G91.6Very high88.5Confident47 Ų4734.7 Ų34.749%0.48518%0.183SC..  trans72.814.7-169.800000114.3F235 P241F235-G239 VanDerWaalsContact O-CA 3.3Å; F235-G239 WeakPolarHBondContact O-CA 3.48Å; F235-G239 PolarHBondContact O-N 3.5Å; G239-P241 WeakPolarHBondContact O-CD 3.49Å
240Y95.3Very high87.9Confident63 Ų6333.5 Ų33.525%0.24718%0.178CC..  trans-80.2109.3-177.4-60.8-19000112.3L184 N209 T211 D212 H234 F235 T238L184-Y240 HydrophobicContact CD1-CE2 4.36Å; N209-Y240 VanDerWaalsContact ND2-CB 3.34Å; N209-Y240 WeakPolarHBondContact ND2-CB 3.39Å; N209-Y240 PolarHBondContact ND2-O 3.2Å; N209-Y240 VanDerWaalsContact ND2-O 3.11Å; N209-Y240 WeakPolarHBondContact OD1-CB 3.03Å; T211-Y240 HydrophobicContact CG2-CD1 3.5Å; T211-Y240 VanDerWaalsContact CG2-CD1 3.5Å; T211-Y240 HydrophobicContact CG2-CD2 3.73Å; T211-Y240 HydrophobicContact CG2-CE1 3.69Å; T211-Y240 HydrophobicContact CG2-CE2 3.92Å; T211-Y240 HydrophobicContact CG2-CG 3.53Å; D212-Y240 HydrophobicContact CB-CD2 4.1Å; D212-Y240 HydrophobicContact CB-CE2 3.79Å; D212-Y240 WeakPolarHBondContact OD2-CE2 3.29Å; H234-Y240 AromaticContact NE2-CD2 3.89Å; F235-Y240 WeakPolarHBondContact CD2-O 3.3Å; T238-Y240 VanDerWaalsContact C-N 3.29Å; T238-Y240 HydrophobicContact CG2-CD2 4.03Å; T238-Y240 HydrophobicContact CG2-CE2 3.82Å; T238-Y240 VanDerWaalsContact OG1-CD2 3.3Å; T238-Y240 WeakPolarHBondContact OG1-CD2 3.22Å; T238-Y240 VanDerWaalsContact OG1-CG 3.31Å; T238-Y240 PolarHBondContact OG1-N 3.03Å
241P92.6Very high86.8Confident13 Ų1334.7 Ų34.78%0.08419%0.189CC..  trans-80.9-31.7-155.329.1-34.8000114.8H177 L181 F235 G239 S258 Y259 D260H177-P241 HydrophobicContact CB-CB 4.44Å; H177-P241 HydrophobicContact CB-CG 3.85Å; H177-P241 VanDerWaalsContact CD2-CB 3.49Å; H177-P241 WeakPolarHBondContact CD2-CB 3.15Å; L181-P241 HydrophobicContact CD1-CG 4.05Å; F235-P241 HydrophobicContact CE2-CB 4.49Å; G239-P241 WeakPolarHBondContact O-CD 3.49Å; P241-S258 WeakPolarHBondContact O-CA 3.43Å; P241-Y259 PolarHBondContact O-N 3.36Å; P241-D260 HydrophobicContact CB-CB 4.01Å
242L95.2Very high85.3Confident0 Ų038.9 Ų38.90%021%0.21CC..EExtended strand (participates in β ladder)trans-107134.7-169.5-63.2-176.1000112.7S175 H177 L181 L210 V256 V265S175-L242 WeakPolarHBondContact OG-CD2 3.43Å; H177-L242 HydrophobicContact CB-CD1 3.96Å; H177-L242 HydrophobicContact CB-CD2 4.47Å; H177-L242 HydrophobicContact CB-CG 4.03Å; L181-L242 HydrophobicContact CD1-CB 4.31Å; L181-L242 HydrophobicContact CD1-CD1 4.12Å; L181-L242 HydrophobicContact CD1-CG 4.21Å; L181-L242 HydrophobicContact CD2-CB 4.42Å; L181-L242 HydrophobicContact CD2-CD1 4.18Å; L210-L242 HydrophobicContact CB-CB 4.3Å; L210-L242 HydrophobicContact CD1-CB 3.99Å; L210-L242 PolarHBondContact N-O 3.4Å; L242-V256 HydrophobicContact CD2-CG1 4.45Å; L242-V265 HydrophobicContact CD2-CG2 3.97Å
243A94.4Very high84.7Confident2 Ų238.2 Ų38.22%0.01721%0.213CC..EExtended strand (participates in β ladder)trans-135.8143170.700000112W207 M208 V256 Y257 Y259W207-A243 HydrophobicContact CB-CB 4.33Å; W207-A243 HydrophobicContact CE3-CB 4.27Å; M208-A243 CarbonylContact O-C 3.48Å; M208-A243 WeakPolarHBondContact O-CA 3.36Å; M208-A243 WeakPolarHBondContact O-CB 3.39Å; A243-V256 WeakPolarHBondContact O-CA 3.47Å; A243-Y257 PolarHBondContact N-O 3.24Å; A243-Y257 PolarHBondContact O-N 3.25Å; A243-Y259 HydrophobicContact CB-CE2 3.72Å
244V92.6Very high84.1Confident0 Ų035.3 Ų35.30%020%0.2CC..EExtended strand (participates in β ladder)trans-108.9141.7177.964.80000110.6W207 M208 L210 L246 I249 A254 D255 V256 L270 L274W207-V244 CarbonylContact C-O 3.56Å; W207-V244 WeakPolarHBondContact CA-O 3.42Å; M208-V244 HydrophobicContact CB-CG1 4.03Å; M208-V244 HydrophobicContact CE-CG1 3.61Å; M208-V244 PolarHBondContact N-O 2.81Å; M208-V244 PolarHBondContact O-N 3.4Å; L210-V244 HydrophobicContact CD1-CB 4.39Å; L210-V244 HydrophobicContact CD2-CB 4.18Å; L210-V244 HydrophobicContact CD2-CG1 3.7Å; L210-V244 HydrophobicContact CG-CB 4.35Å; L210-V244 HydrophobicContact CG-CG1 4.21Å; V244-L246 PolarHBondContact O-N 3.5Å; V244-I249 HydrophobicContact CG2-CD1 4.38Å; V244-I249 HydrophobicContact CG2-CG1 4.15Å; V244-A254 HydrophobicContact CG2-CB 3.58Å; V244-D255 WeakPolarHBondContact CA-O 3.49Å; V244-V256 HydrophobicContact CB-CG2 4.43Å; V244-V256 HydrophobicContact CG2-CG2 4.24Å; V244-L270 HydrophobicContact CG2-CD1 4.34Å; V244-L274 HydrophobicContact CG1-CD2 3.96Å
245K88.4Confident83.7Confident0 Ų035.3 Ų35.30%020%0.2CC..EExtended strand (participates in β ladder)trans-84113.1176.9-169.4175.6179.5-170.10111W207 G247 T248 D255 E288 R289 M291W207-K245 HydrophobicContact CD2-CB 4.16Å; W207-K245 HydrophobicContact CD2-CG 4.48Å; W207-K245 HydrophobicContact CE3-CB 3.98Å; W207-K245 HydrophobicContact CH2-CB 4.08Å; W207-K245 HydrophobicContact CH2-CD 4.4Å; W207-K245 HydrophobicContact CZ2-CB 4.24Å; W207-K245 HydrophobicContact CZ2-CD 3.98Å; W207-K245 HydrophobicContact CZ2-CG 4.37Å; W207-K245 HydrophobicContact CZ3-CB 3.92Å; K245-G247 VanDerWaalsContact C-N 3.25Å; K245-G247 PolarHBondContact O-N 3.02Å; K245-G247 VanDerWaalsContact O-N 3.13Å; K245-T248 HydrophobicContact CB-CG2 4.11Å; K245-T248 HydrophobicContact CD-CG2 3.71Å; K245-T248 HydrophobicContact CG-CG2 3.98Å; K245-T248 PolarHBondContact O-N 3.33Å; K245-T248 PolarHBondContact O-OG1 3.23Å; K245-D255 HydrophobicContact CB-CB 4.26Å; K245-D255 PolarHBondContact N-O 3.13Å; K245-E288 WeakPolarHBondContact CE-OE2 3.47Å; K245-R289 PolarHBondContact NZ-O 3.04Å; K245-M291 HydrophobicContact CD-SD 4.38Å
246L80.8Confident83.5Confident3 Ų333.6 Ų33.62%0.01619%0.193CC..G310 helixtrans-62.7-25.2-167.2-72.9175.1000114.3I190 W195 I206 M208 V215 V244 I249 I279I190-L246 HydrophobicContact CG2-CD2 4.34Å; W195-L246 HydrophobicContact CB-CD1 3.99Å; W195-L246 HydrophobicContact CD2-CB 3.74Å; W195-L246 HydrophobicContact CD2-CD1 3.85Å; W195-L246 HydrophobicContact CD2-CG 4.37Å; W195-L246 HydrophobicContact CE3-CB 3.74Å; W195-L246 HydrophobicContact CG-CB 4.3Å; W195-L246 HydrophobicContact CG-CD1 3.53Å; W195-L246 HydrophobicContact CH2-CB 4.22Å; W195-L246 WeakPolarHBondContact CH2-O 3.47Å; W195-L246 HydrophobicContact CZ2-CB 4.22Å; W195-L246 HydrophobicContact CZ3-CB 3.99Å; W195-L246 WeakPolarHBondContact CZ3-O 3.49Å; I206-L246 HydrophobicContact CG2-CD1 4.05Å; I206-L246 PolarHBondContact O-N 3.3Å; M208-L246 HydrophobicContact CB-CD1 3.96Å; M208-L246 HydrophobicContact CB-CD2 3.65Å; M208-L246 HydrophobicContact CB-CG 3.74Å; M208-L246 HydrophobicContact CE-CD2 4.34Å; M208-L246 HydrophobicContact CG-CD2 4.37Å; M208-L246 HydrophobicContact SD-CD2 3.91Å; V215-L246 HydrophobicContact CG1-CD1 3.81Å; V215-L246 HydrophobicContact CG2-CD1 4.03Å; V244-L246 PolarHBondContact O-N 3.5Å; L246-I249 HydrophobicContact CD2-CD1 4.07Å; L246-I279 HydrophobicContact CD2-CD1 4.08Å
247G74.8Confident83.4Confident1 Ų129.2 Ų29.21%0.0117%0.171CC..G310 helixtrans-85.9-4.717700000116.1K245 T287 E288K245-G247 VanDerWaalsContact C-N 3.25Å; K245-G247 PolarHBondContact O-N 3.02Å; K245-G247 VanDerWaalsContact O-N 3.13Å; G247-T287 PolarHBondContact O-N 3.44Å; G247-E288 PolarHBondContact O-N 2.77Å
248T74.8Confident83.4Confident7 Ų721.6 Ų21.64%0.04314%0.135CC..G310 helixtrans-105.7-0.9-176.366.10000114K245 T250 D255K245-T248 HydrophobicContact CB-CG2 4.11Å; K245-T248 HydrophobicContact CD-CG2 3.71Å; K245-T248 HydrophobicContact CG-CG2 3.98Å; K245-T248 PolarHBondContact O-N 3.33Å; K245-T248 PolarHBondContact O-OG1 3.23Å; T248-T250 PolarHBondContact O-N 3.5Å; T248-D255 HydrophobicContact CG2-CB 4.21Å; T248-D255 WeakPolarHBondContact OG1-CB 3.3Å; T248-D255 PolarHBondContact OG1-N 3.45Å
249I76.6Confident83.3Confident3 Ų320 Ų202%0.01512%0.124CC..  trans-71.2124.4-176.5-54.8173.2000109.7V244 L246 A254 L274 I279 M281 M284V244-I249 HydrophobicContact CG2-CD1 4.38Å; V244-I249 HydrophobicContact CG2-CG1 4.15Å; L246-I249 HydrophobicContact CD2-CD1 4.07Å; I249-A254 HydrophobicContact CB-CB 4.26Å; I249-A254 HydrophobicContact CG1-CB 3.82Å; I249-L274 HydrophobicContact CD1-CD1 4.28Å; I249-L274 HydrophobicContact CD1-CD2 4.12Å; I249-L274 HydrophobicContact CG2-CD1 3.98Å; I249-I279 HydrophobicContact CD1-CG2 4.34Å; I249-M281 HydrophobicContact CG2-CG 4.07Å; I249-M284 HydrophobicContact CB-CB 4.33Å; I249-M284 HydrophobicContact CG2-CB 4Å; I249-M284 HydrophobicContact CG2-CG 4.04Å; I249-M284 WeakPolarHBondContact O-CB 3.31Å
250T73.4Confident83.2Confident31 Ų3121.4 Ų21.419%0.1912%0.12CC..BIsolated β-bridgetrans-132.6169.8176.463.60000109.9T248 D252 G253 M281 K286T248-T250 PolarHBondContact O-N 3.5Å; T250-D252 PolarHBondContact O-N 2.91Å; T250-D252 PolarHBondContact OG1-N 3.09Å; T250-G253 PolarHBondContact N-O 3.47Å; T250-G253 PolarHBondContact O-N 3.41Å; T250-G253 PolarHBondContact OG1-N 3.42Å; T250-G253 PolarHBondContact OG1-O 3.23Å; T250-M281 VanDerWaalsContact O-CE 3.25Å; T250-M281 WeakPolarHBondContact O-CE 3.49Å; T250-K286 HydrophobicContact CG2-CB 3.78Å
251P65.1Low82.7Confident60 Ų6021.4 Ų21.439%0.3912%0.122SC..THydrogen-bonded Turntrans-56.9-20.1173-26.437.2000113.8M282P251-M282 HydrophobicContact CB-SD 4.09Å
252D58.4Low82.1Confident92 Ų9225.3 Ų25.349%0.49214%0.142SC..THydrogen-bonded Turntrans-106.5-8.6-169.8-52.2-73.8000114.2T97 T250T97-D252 VanDerWaalsContact CB-CB 3.5Å; T97-D252 VanDerWaalsContact CB-OD1 3.25Å; T97-D252 WeakPolarHBondContact CB-OD1 3.03Å; T97-D252 VanDerWaalsContact CB-OD2 3.23Å; T97-D252 WeakPolarHBondContact CB-OD2 3.08Å; T97-D252 HydrophobicContact CG2-CB 4.11Å; T97-D252 WeakPolarHBondContact CG2-OD1 3.22Å; T97-D252 WeakPolarHBondContact CG2-OD2 2.97Å; T250-D252 PolarHBondContact O-N 2.91Å; T250-D252 PolarHBondContact OG1-N 3.09Å
253G75.1Confident81.3Confident24 Ų2430.2 Ų30.225%0.24717%0.169CC..BIsolated β-bridgetrans154.1-179.7179.400000113.2T250T250-G253 PolarHBondContact N-O 3.47Å; T250-G253 PolarHBondContact O-N 3.41Å; T250-G253 PolarHBondContact OG1-N 3.42Å; T250-G253 PolarHBondContact OG1-O 3.23Å
254A79Confident80.6Confident14 Ų1431.9 Ų31.912%0.11618%0.177CC..  trans-147.6164.9172.900000110.3V244 I249 V256 L270V244-A254 HydrophobicContact CG2-CB 3.58Å; I249-A254 HydrophobicContact CB-CB 4.26Å; I249-A254 HydrophobicContact CG1-CB 3.82Å; A254-V256 PolarHBondContact O-N 3.32Å; A254-L270 HydrophobicContact CB-CD2 3.83Å
255D82.8Confident80.2Confident8 Ų832.1 Ų32.14%0.04318%0.178CC..  trans-77.7114.5170.6-77.8-17.7000109.8R172 V244 K245 T248 M264 T290R172-D255 IonicContact CZ-OD1 3.9Å; R172-D255 VanDerWaalsContact CZ-OD1 3.28Å; R172-D255 IonicContact NH1-OD1 2.77Å; R172-D255 PolarHBondContact NH1-OD1 3.46Å; R172-D255 IonicContact NH2-OD1 3.89Å; R172-D255 PolarHBondContact NH2-OD1 2.71Å; V244-D255 WeakPolarHBondContact CA-O 3.49Å; K245-D255 HydrophobicContact CB-CB 4.26Å; K245-D255 PolarHBondContact N-O 3.13Å; T248-D255 HydrophobicContact CG2-CB 4.21Å; T248-D255 WeakPolarHBondContact OG1-CB 3.3Å; T248-D255 PolarHBondContact OG1-N 3.45Å; D255-M264 HydrophobicContact CB-CE 3.58Å; D255-T290 WeakPolarHBondContact OD2-CA 3.41Å; D255-T290 VanDerWaalsContact OD2-CB 3.3Å; D255-T290 WeakPolarHBondContact OD2-CB 3.32Å
256V88.6Confident80Confident1 Ų136.1 Ų36.11%0.00620%0.199CC..EExtended strand (participates in β ladder)trans-113.7129.9176.8-174.30000109.2L210 L242 A243 V244 A254 M264 V265 D267 L270L210-V256 HydrophobicContact CD1-CG1 4.17Å; L242-V256 HydrophobicContact CD2-CG1 4.45Å; A243-V256 WeakPolarHBondContact O-CA 3.47Å; V244-V256 HydrophobicContact CB-CG2 4.43Å; V244-V256 HydrophobicContact CG2-CG2 4.24Å; A254-V256 PolarHBondContact O-N 3.32Å; V256-M264 VanDerWaalsContact O-CE 3.29Å; V256-M264 WeakPolarHBondContact O-CE 3.35Å; V256-V265 HydrophobicContact CB-CG2 4.29Å; V256-V265 HydrophobicContact CG1-CG2 3.88Å; V256-V265 PolarHBondContact O-N 2.87Å; V256-D267 HydrophobicContact CG1-CB 4.4Å; V256-D267 HydrophobicContact CG2-CB 4.34Å; V256-L270 HydrophobicContact CG2-CD1 3.88Å; V256-L270 HydrophobicContact CG2-CD2 4.04Å
257Y89.8Confident80.3Confident37 Ų3736.7 Ų36.715%0.14520%0.202CC..EExtended strand (participates in β ladder)trans-112.3136.6177.1-166.9-88.3000110W207 R219 A243 Y259 D262 M264W207-Y257 VanDerWaalsContact CZ3-CB 3.47Å; R219-Y257 PolarHBondContact NH2-OH 3.13Å; A243-Y257 PolarHBondContact N-O 3.24Å; A243-Y257 PolarHBondContact O-N 3.25Å; Y257-Y259 AromaticContact CD1-CD1 3.97Å; Y257-Y259 HydrophobicContact CD1-CD1 3.97Å; Y257-Y259 HydrophobicContact CD1-CD2 4.36Å; Y257-Y259 HydrophobicContact CD1-CE1 4.05Å; Y257-Y259 HydrophobicContact CD1-CE2 4.43Å; Y257-Y259 HydrophobicContact CD1-CG 4.11Å; Y257-Y259 AromaticContact CE1-CD1 3.87Å; Y257-Y259 HydrophobicContact CE1-CD1 3.87Å; Y257-Y259 HydrophobicContact CE1-CE1 4.14Å; Y257-Y259 HydrophobicContact CE1-CG 4.3Å; Y257-D262 PolarHBondContact OH-O 3.12Å; Y257-D262 PolarHBondContact OH-OD1 2.82Å; Y257-M264 HydrophobicContact CD2-CG 4.38Å; Y257-M264 HydrophobicContact CD2-SD 3.67Å; Y257-M264 HydrophobicContact CG-SD 4.47Å
258S91.6Very high80.9Confident0 Ų040.3 Ų40.30%023%0.227CC..EExtended strand (participates in β ladder)trans-103.8113.6170.9-1790000109.8P241 D260 E261 D262 D263P241-S258 WeakPolarHBondContact O-CA 3.43Å; S258-D260 PolarHBondContact O-N 2.91Å; S258-E261 WeakPolarHBondContact CB-OE2 3.35Å; S258-E261 PolarHBondContact O-N 3.02Å; S258-E261 WeakPolarHBondContact OG-CB 3.35Å; S258-E261 PolarHBondContact OG-N 3Å; S258-E261 PolarHBondContact OG-OE2 3.04Å; S258-D262 WeakPolarHBondContact O-CA 3.4Å; S258-D262 PolarHBondContact O-N 2.7Å; S258-D263 PolarHBondContact N-O 2.95Å; S258-D263 PolarHBondContact O-N 2.72Å
259Y89Confident81.5Confident15 Ų1543.4 Ų43.46%0.05924%0.24CC..THydrogen-bonded Turntrans-70.9-22.4176.4-71.2-76.5000113.3A231 L232 F235 P241 A243 Y257A231-Y259 WeakPolarHBondContact CB-OH 3.34Å; L232-Y259 HydrophobicContact CB-CD1 4.47Å; L232-Y259 HydrophobicContact CB-CE1 4.02Å; L232-Y259 HydrophobicContact CD1-CD1 3.67Å; L232-Y259 HydrophobicContact CD1-CE1 4.05Å; F235-Y259 HydrophobicContact CB-CD1 4.41Å; F235-Y259 HydrophobicContact CB-CD2 4.02Å; F235-Y259 HydrophobicContact CB-CG 3.87Å; F235-Y259 HydrophobicContact CD1-CD1 4.49Å; F235-Y259 HydrophobicContact CD1-CG 4.11Å; F235-Y259 HydrophobicContact CD2-CG 4.44Å; F235-Y259 HydrophobicContact CG-CD2 4.34Å; F235-Y259 AromaticContact CG-CG 3.87Å; F235-Y259 HydrophobicContact CG-CG 3.87Å; P241-Y259 PolarHBondContact O-N 3.36Å; A243-Y259 HydrophobicContact CB-CE2 3.72Å; Y257-Y259 AromaticContact CD1-CD1 3.97Å; Y257-Y259 HydrophobicContact CD1-CD1 3.97Å; Y257-Y259 HydrophobicContact CD1-CD2 4.36Å; Y257-Y259 HydrophobicContact CD1-CE1 4.05Å; Y257-Y259 HydrophobicContact CD1-CE2 4.43Å; Y257-Y259 HydrophobicContact CD1-CG 4.11Å; Y257-Y259 AromaticContact CE1-CD1 3.87Å; Y257-Y259 HydrophobicContact CE1-CD1 3.87Å; Y257-Y259 HydrophobicContact CE1-CE1 4.14Å; Y257-Y259 HydrophobicContact CE1-CG 4.3Å
260D88.7Confident82.1Confident75 Ų7543.8 Ų43.840%0.40124%0.242SC..THydrogen-bonded Turntrans-86.8-23.6178.8-172.357.6000112.8K176 H177 F235 P241 S258K176-D260 WeakPolarHBondContact CE-OD2 3.3Å; K176-D260 IonicContact NZ-OD2 3.28Å; K176-D260 PolarHBondContact NZ-OD2 2.86Å; H177-D260 IonicContact CD2-OD2 2.86Å; H177-D260 IonicContact CE1-OD2 2.87Å; H177-D260 PolarHBondContact CE1-OD2 2.8Å; H177-D260 IonicContact NE2-OD2 2.8Å; H177-D260 PolarHBondContact NE2-OD2 2.88Å; F235-D260 HydrophobicContact CE2-CB 4.25Å; F235-D260 HydrophobicContact CZ-CB 4.04Å; P241-D260 HydrophobicContact CB-CB 4.01Å; S258-D260 PolarHBondContact O-N 2.91Å
261E85.4Confident82.7Confident63 Ų6345.9 Ų45.929%0.29426%0.256SS..THydrogen-bonded Turntrans-98.6-8.7173.2-63.3157.9116.600112.1S175 K176 H177 S258 D263S175-E261 WeakPolarHBondContact CB-OE2 3.3Å; S175-E261 PolarHBondContact OG-OE2 3.03Å; K176-E261 HydrophobicContact CD-CG 3.93Å; K176-E261 HydrophobicContact CG-CG 4.31Å; K176-E261 PolarHBondContact N-OE1 2.93Å; H177-E261 IonicContact CD2-OE2 2.64Å; S258-E261 WeakPolarHBondContact CB-OE2 3.35Å; S258-E261 PolarHBondContact O-N 3.02Å; S258-E261 WeakPolarHBondContact OG-CB 3.35Å; S258-E261 PolarHBondContact OG-N 3Å; S258-E261 PolarHBondContact OG-OE2 3.04Å; E261-D263 PolarHBondContact O-N 3.33Å
262D80.4Confident83.8Confident95 Ų9549.1 Ų49.151%0.50827%0.266SS..THydrogen-bonded Turntrans49.238.4-174.5-153.734.9000113.8R219 Y257 S258R219-D262 IonicContact CZ-OD1 2.78Å; R219-D262 IonicContact NH1-OD1 3.71Å; R219-D262 PolarHBondContact NH1-OD1 2.84Å; R219-D262 IonicContact NH2-OD1 2.66Å; R219-D262 PolarHBondContact NH2-OD1 2.79Å; Y257-D262 PolarHBondContact OH-O 3.12Å; Y257-D262 PolarHBondContact OH-OD1 2.82Å; S258-D262 WeakPolarHBondContact O-CA 3.4Å; S258-D262 PolarHBondContact O-N 2.7Å
263D78.1Confident85.3Confident104 Ų10445.2 Ų45.256%0.55625%0.245SC*.EExtended strand (participates in β ladder)trans-147.8163.8-174.8-152.8-9.7000112.4S258 E261S258-D263 PolarHBondContact N-O 2.95Å; S258-D263 PolarHBondContact O-N 2.72Å; E261-D263 PolarHBondContact O-N 3.33Å
264M78.4Confident86Confident36 Ų3644.1 Ų44.118%0.17723%0.233CC..EExtended strand (participates in β ladder)trans-76.3123.4170.1-71.4-61.6-57.400110R172 W207 D255 V256 Y257R172-M264 HydrophobicContact CG-CB 4.44Å; W207-M264 HydrophobicContact CH2-SD 4.34Å; D255-M264 HydrophobicContact CB-CE 3.58Å; V256-M264 VanDerWaalsContact O-CE 3.29Å; V256-M264 WeakPolarHBondContact O-CE 3.35Å; Y257-M264 HydrophobicContact CD2-CG 4.38Å; Y257-M264 HydrophobicContact CD2-SD 3.67Å; Y257-M264 HydrophobicContact CG-SD 4.47Å
265V85.6Confident86.4Confident6 Ų646.2 Ų46.24%0.03625%0.251CS..EExtended strand (participates in β ladder)trans-122.2160.2-170.5-66.30000112.1Q173 L242 V256Q173-V265 WeakPolarHBondContact O-CA 3.45Å; L242-V265 HydrophobicContact CD2-CG2 3.97Å; V256-V265 HydrophobicContact CB-CG2 4.29Å; V256-V265 HydrophobicContact CG1-CG2 3.88Å; V256-V265 PolarHBondContact O-N 2.87Å
266L83.6Confident86.6Confident84 Ų8448.2 Ų48.244%0.4426%0.26SS..BIsolated β-bridgetrans-89.3141.5163.6-61.6177.5000110.1R172 Q173 E174 S175R172-L266 HydrophobicContact CB-CD1 4.37Å; R172-L266 HydrophobicContact CB-CD2 3.8Å; R172-L266 HydrophobicContact CB-CG 3.6Å; R172-L266 WeakPolarHBondContact O-CD1 3.46Å; R172-L266 VanDerWaalsContact O-CG 3.31Å; R172-L266 WeakPolarHBondContact O-CG 3.44Å; Q173-L266 PolarHBondContact O-N 3.35Å; E174-L266 WeakPolarHBondContact CA-O 3.42Å; S175-L266 PolarHBondContact N-O 3.26Å
267D87.4Confident86.6Confident15 Ų1548.2 Ų48.28%0.0826%0.26CS..  trans-118.7103.6169.4175.86.6000108.4A178 V256 K269 L270 H273A178-D267 HydrophobicContact CB-CB 4.35Å; V256-D267 HydrophobicContact CG1-CB 4.4Å; V256-D267 HydrophobicContact CG2-CB 4.34Å; D267-K269 PolarHBondContact O-N 3.25Å; D267-K269 PolarHBondContact OD1-N 3.03Å; D267-L270 HydrophobicContact CB-CB 4.02Å; D267-L270 VanDerWaalsContact O-CB 3.26Å; D267-L270 WeakPolarHBondContact O-CB 3.25Å; D267-L270 PolarHBondContact O-N 2.48Å; D267-L270 PolarHBondContact OD1-N 3.34Å; D267-L270 WeakPolarHBondContact OD2-CA 3.44Å; D267-H273 IonicContact OD1-CE1 3.98Å; D267-H273 PolarHBondContact OD1-CE1 2.94Å; D267-H273 IonicContact OD1-ND1 3.9Å; D267-H273 PolarHBondContact OD1-ND1 2.95Å; D267-H273 IonicContact OD2-CE1 3.97Å; D267-H273 IonicContact OD2-CG 3.87Å; D267-H273 IonicContact OD2-ND1 2.71Å; D267-H273 PolarHBondContact OD2-ND1 3.49Å
268S86.2Confident86.2Confident76 Ų7648.6 Ų48.653%0.53128%0.275SS..THydrogen-bonded Turntrans-64.3-20.4-179.756.70000113.2E174E174-S268 WeakPolarHBondContact OE1-CB 3.12Å; E174-S268 PolarHBondContact OE1-OG 3.16Å
269K88.6Confident85.8Confident73 Ų7348.9 Ų48.932%0.31728%0.277SS..THydrogen-bonded Turntrans-106.214.4178.6-66.3-173.3-179177.20113A179 D267 P271 E272 H273A179-K269 PolarHBondContact O-NZ 3.17Å; D267-K269 PolarHBondContact O-N 3.25Å; D267-K269 PolarHBondContact OD1-N 3.03Å; K269-P271 VanDerWaalsContact C-N 3.29Å; K269-P271 VanDerWaalsContact O-N 3.13Å; K269-E272 WeakPolarHBondContact O-CA 3.42Å; K269-E272 WeakPolarHBondContact O-CB 2.94Å; K269-E272 PolarHBondContact O-N 3.25Å; K269-H273 PolarHBondContact O-N 2.77Å
270L88.4Confident85.3Confident10 Ų1052.5 Ų52.55%0.05230%0.297CS..Hα-helixtrans-49.6-41.3-179.7-17564.7000114.1L210 V244 A254 V256 D267 E272 H273 L274 M281L210-L270 HydrophobicContact CD1-CD1 4.2Å; L210-L270 HydrophobicContact CD2-CD1 4.42Å; V244-L270 HydrophobicContact CG2-CD1 4.34Å; A254-L270 HydrophobicContact CB-CD2 3.83Å; V256-L270 HydrophobicContact CG2-CD1 3.88Å; V256-L270 HydrophobicContact CG2-CD2 4.04Å; D267-L270 HydrophobicContact CB-CB 4.02Å; D267-L270 VanDerWaalsContact O-CB 3.26Å; D267-L270 WeakPolarHBondContact O-CB 3.25Å; D267-L270 PolarHBondContact O-N 2.48Å; D267-L270 PolarHBondContact OD1-N 3.34Å; D267-L270 WeakPolarHBondContact OD2-CA 3.44Å; L270-E272 VanDerWaalsContact C-N 3.32Å; L270-E272 PolarHBondContact O-N 3.14Å; L270-H273 PolarHBondContact O-N 2.84Å; L270-L274 HydrophobicContact CD1-CD1 3.95Å; L270-L274 HydrophobicContact CD1-CD2 4.45Å; L270-L274 HydrophobicContact CD1-CG 3.91Å; L270-L274 HydrophobicContact CD2-CD1 4.45Å; L270-L274 HydrophobicContact CG-CD1 3.83Å; L270-L274 HydrophobicContact CG-CG 4.2Å; L270-L274 WeakPolarHBondContact O-CB 3.46Å; L270-L274 VanDerWaalsContact O-CG 3.27Å; L270-L274 WeakPolarHBondContact O-CG 3.45Å; L270-L274 PolarHBondContact O-N 3.4Å; L270-M281 HydrophobicContact CD2-CE 4.11Å; L270-M281 HydrophobicContact CG-SD 4.37Å
271P85.8Confident84.6Confident76 Ų7649.8 Ų49.849%0.49428%0.282SS..Hα-helixtrans-61.6-37.9175.9-21.933.4000113.5K269 A275 M281K269-P271 VanDerWaalsContact C-N 3.29Å; K269-P271 VanDerWaalsContact O-N 3.13Å; P271-A275 VanDerWaalsContact O-CB 3.23Å; P271-A275 WeakPolarHBondContact O-CB 3.43Å; P271-A275 PolarHBondContact O-N 2.83Å; P271-M281 VanDerWaalsContact CA-SD 3.6Å; P271-M281 HydrophobicContact CB-SD 3.91Å; P271-M281 HydrophobicContact CG-SD 3.75Å
272E88.6Confident83.8Confident128 Ų12853.8 Ų53.860%0.59830%0.303SS*.Hα-helixtrans-69.8-45.2177.2-59.7179.1-17700110K269 L270 L274 A275 H276K269-E272 WeakPolarHBondContact O-CA 3.42Å; K269-E272 WeakPolarHBondContact O-CB 2.94Å; K269-E272 PolarHBondContact O-N 3.25Å; L270-E272 VanDerWaalsContact C-N 3.32Å; L270-E272 PolarHBondContact O-N 3.14Å; E272-L274 PolarHBondContact O-N 3.45Å; E272-A275 PolarHBondContact O-N 2.92Å; E272-H276 PolarHBondContact O-N 3.03Å
273H91.1Very high83.3Confident10 Ų1054 Ų545%0.04631%0.307CS..Hα-helixtrans-63.4-38.6179.2-64156.8000113.1A178 Q183 L210 D267 K269 L270 H276 F277A178-H273 PolarHBondContact O-CE1 3.3Å; A178-H273 VanDerWaalsContact O-CE1 3.26Å; Q183-H273 PolarHBondContact NE2-O 3.17Å; L210-H273 HydrophobicContact CD2-CB 4.17Å; D267-H273 IonicContact OD1-CE1 3.98Å; D267-H273 PolarHBondContact OD1-CE1 2.94Å; D267-H273 IonicContact OD1-ND1 3.9Å; D267-H273 PolarHBondContact OD1-ND1 2.95Å; D267-H273 IonicContact OD2-CE1 3.97Å; D267-H273 IonicContact OD2-CG 3.87Å; D267-H273 IonicContact OD2-ND1 2.71Å; D267-H273 PolarHBondContact OD2-ND1 3.49Å; K269-H273 PolarHBondContact O-N 2.77Å; L270-H273 PolarHBondContact O-N 2.84Å; H273-H276 WeakPolarHBondContact O-CB 3.13Å; H273-F277 WeakPolarHBondContact O-CD2 3.45Å
274L87.9Confident82.7Confident0 Ų050 Ų500%029%0.286CS..Hα-helixtrans-73.1-36.3176-70.8178.5000112.2M208 L210 V244 I249 L270 E272 H276 F277 G278 I279 M281M208-L274 HydrophobicContact CE-CD2 3.63Å; L210-L274 HydrophobicContact CD2-CD2 4.1Å; V244-L274 HydrophobicContact CG1-CD2 3.96Å; I249-L274 HydrophobicContact CD1-CD1 4.28Å; I249-L274 HydrophobicContact CD1-CD2 4.12Å; I249-L274 HydrophobicContact CG2-CD1 3.98Å; L270-L274 HydrophobicContact CD1-CD1 3.95Å; L270-L274 HydrophobicContact CD1-CD2 4.45Å; L270-L274 HydrophobicContact CD1-CG 3.91Å; L270-L274 HydrophobicContact CD2-CD1 4.45Å; L270-L274 HydrophobicContact CG-CD1 3.83Å; L270-L274 HydrophobicContact CG-CG 4.2Å; L270-L274 WeakPolarHBondContact O-CB 3.46Å; L270-L274 VanDerWaalsContact O-CG 3.27Å; L270-L274 WeakPolarHBondContact O-CG 3.45Å; L270-L274 PolarHBondContact O-N 3.4Å; E272-L274 PolarHBondContact O-N 3.45Å; L274-H276 VanDerWaalsContact C-N 3.26Å; L274-H276 PolarHBondContact O-N 3.47Å; L274-F277 PolarHBondContact O-N 2.95Å; L274-G278 PolarHBondContact O-N 3.29Å; L274-I279 CarbonylContact C-O 3.42Å; L274-I279 HydrophobicContact CB-CB 4.17Å; L274-I279 HydrophobicContact CB-CG2 4.41Å; L274-I279 HydrophobicContact CD2-CD1 4.15Å; L274-I279 PolarHBondContact O-N 3.48Å; L274-M281 HydrophobicContact CD1-CE 4.46Å; L274-M281 HydrophobicContact CD1-CG 3.49Å; L274-M281 VanDerWaalsContact CD1-CG 3.49Å; L274-M281 HydrophobicContact CD1-SD 3.72Å
275A87.4Confident81.6Confident59 Ų5954.8 Ų54.849%0.48831%0.308SS..Hα-helixtrans-61.9-33.9177.600000112.4P271 E272 F277 G278P271-A275 VanDerWaalsContact O-CB 3.23Å; P271-A275 WeakPolarHBondContact O-CB 3.43Å; P271-A275 PolarHBondContact O-N 2.83Å; E272-A275 PolarHBondContact O-N 2.92Å; A275-F277 VanDerWaalsContact C-N 3.29Å; A275-F277 PolarHBondContact O-N 3.08Å; A275-G278 PolarHBondContact O-N 3.29Å
276H88.4Confident80.5Confident50 Ų5058.8 Ų58.823%0.23133%0.325CS..Hα-helixtrans-51.8-47173.9-173.473.1000112.2Q183 L184 D185 K189 E272 H273 L274 G278Q183-H276 VanDerWaalsContact OE1-CB 3.23Å; L184-H276 PolarHBondContact O-NE2 3.43Å; D185-H276 IonicContact OD1-CE1 2.8Å; D185-H276 PolarHBondContact OD1-CE1 3.3Å; D185-H276 IonicContact OD1-NE2 2.72Å; K189-H276 PolarHBondContact NZ-O 3.24Å; E272-H276 PolarHBondContact O-N 3.03Å; H273-H276 WeakPolarHBondContact O-CB 3.13Å; L274-H276 VanDerWaalsContact C-N 3.26Å; L274-H276 PolarHBondContact O-N 3.47Å; H276-G278 VanDerWaalsContact C-N 3.26Å; H276-G278 PolarHBondContact O-N 3.42Å
277F87.3Confident79Confident0 Ų059.6 Ų59.60%033%0.333CS..THydrogen-bonded Turntrans-84.65.5178.5-59.1-67000114.2Q183 K189 I190 M208 L210 G213 H273 L274 A275Q183-F277 VanDerWaalsContact NE2-CE2 3.27Å; K189-F277 WeakPolarHBondContact CA-O 3.48Å; K189-F277 WeakPolarHBondContact CD-O 3.44Å; I190-F277 HydrophobicContact CG1-CB 4.05Å; I190-F277 PolarHBondContact N-O 2.9Å; M208-F277 HydrophobicContact CE-CD2 3.91Å; M208-F277 HydrophobicContact SD-CB 4.45Å; M208-F277 HydrophobicContact SD-CD2 4.32Å; M208-F277 HydrophobicContact SD-CG 4.42Å; L210-F277 WeakPolarHBondContact O-CE2 3.48Å; G213-F277 VanDerWaalsContact N-CZ 3.28Å; H273-F277 WeakPolarHBondContact O-CD2 3.45Å; L274-F277 PolarHBondContact O-N 2.95Å; A275-F277 VanDerWaalsContact C-N 3.29Å; A275-F277 PolarHBondContact O-N 3.08Å
278G82.4Confident77.4Confident46 Ų4660.9 Ų60.947%0.47434%0.339SS..THydrogen-bonded Turntrans81.917.3177.400000114.9L274 A275 H276L274-G278 PolarHBondContact O-N 3.29Å; A275-G278 PolarHBondContact O-N 3.29Å; H276-G278 VanDerWaalsContact C-N 3.26Å; H276-G278 PolarHBondContact O-N 3.42Å
279I82.4Confident75.7Confident5 Ų563.8 Ų63.83%0.02634%0.338CS..  trans-93.6119.8177-60170.6000108.9I190 M208 L246 I249 L274 M284I190-I279 HydrophobicContact CB-CD1 3.98Å; I190-I279 HydrophobicContact CB-CG1 4.19Å; I190-I279 HydrophobicContact CG2-CD1 3.89Å; I190-I279 HydrophobicContact CG2-CG1 4.41Å; M208-I279 HydrophobicContact CE-CD1 3.92Å; M208-I279 HydrophobicContact SD-CD1 3.94Å; L246-I279 HydrophobicContact CD2-CD1 4.08Å; I249-I279 HydrophobicContact CD1-CG2 4.34Å; L274-I279 CarbonylContact C-O 3.42Å; L274-I279 HydrophobicContact CB-CB 4.17Å; L274-I279 HydrophobicContact CB-CG2 4.41Å; L274-I279 HydrophobicContact CD2-CD1 4.15Å; L274-I279 PolarHBondContact O-N 3.48Å; I279-M284 HydrophobicContact CG2-CE 4.23Å; I279-M284 HydrophobicContact CG2-CG 4.06Å; I279-M284 HydrophobicContact CG2-SD 4.37Å
280N78.1Confident73.9Confident91 Ų9161.2 Ų61.249%0.48733%0.328SS..  trans-99.4108.8173.3-175.8-12.7000110.1M282 T283N280-M282 PolarHBondContact O-N 3.41Å; N280-M282 VanDerWaalsContact O-N 3.15Å; N280-M282 WeakPolarHBondContact OD1-CB 3.37Å; N280-M282 PolarHBondContact OD1-N 2.91Å; N280-M282 VanDerWaalsContact OD1-N 3.08Å; N280-T283 PolarHBondContact O-N 3.44Å; N280-T283 PolarHBondContact O-OG1 3.07Å
281M74.8Confident72Confident18 Ų1862.3 Ų62.39%0.08933%0.334CS..G310 helixtrans-54.3-33.7-178.8-67.2179.971.400113.3I249 T250 L270 P271 L274 T283 M284I249-M281 HydrophobicContact CG2-CG 4.07Å; T250-M281 VanDerWaalsContact O-CE 3.25Å; T250-M281 WeakPolarHBondContact O-CE 3.49Å; L270-M281 HydrophobicContact CD2-CE 4.11Å; L270-M281 HydrophobicContact CG-SD 4.37Å; P271-M281 VanDerWaalsContact CA-SD 3.6Å; P271-M281 HydrophobicContact CB-SD 3.91Å; P271-M281 HydrophobicContact CG-SD 3.75Å; L274-M281 HydrophobicContact CD1-CE 4.46Å; L274-M281 HydrophobicContact CD1-CG 3.49Å; L274-M281 VanDerWaalsContact CD1-CG 3.49Å; L274-M281 HydrophobicContact CD1-SD 3.72Å; M281-T283 PolarHBondContact O-N 3.32Å; M281-T283 VanDerWaalsContact O-N 3.12Å; M281-M284 PolarHBondContact O-N 3.44Å
282M68.6Low70.1Confident147 Ų14761.3 Ų61.372%0.72433%0.326SS*.G310 helixtrans-66.4-15-179.5-65.3-63.8-16200113.8P251 N280P251-M282 HydrophobicContact CB-SD 4.09Å; N280-M282 PolarHBondContact O-N 3.41Å; N280-M282 VanDerWaalsContact O-N 3.15Å; N280-M282 WeakPolarHBondContact OD1-CB 3.37Å; N280-M282 PolarHBondContact OD1-N 2.91Å; N280-M282 VanDerWaalsContact OD1-N 3.08Å
283T69.3Low68.1Low99 Ų9958.1 Ų58.161%0.60731%0.311SS*.G310 helixtrans-108.8-2.2-178.360.90000113.4N280 M281N280-T283 PolarHBondContact O-N 3.44Å; N280-T283 PolarHBondContact O-OG1 3.07Å; M281-T283 PolarHBondContact O-N 3.32Å; M281-T283 VanDerWaalsContact O-N 3.12Å
284M66.1Low66Low20 Ų2059.8 Ų59.810%0.09932%0.32CS..  trans-92.6140.3-178.3-65.1-69.7137.500110.4P192 I249 I279 M281P192-M284 HydrophobicContact CB-CE 3.44Å; P192-M284 VanDerWaalsContact CB-CE 3.44Å; P192-M284 HydrophobicContact CB-SD 4.36Å; I249-M284 HydrophobicContact CB-CB 4.33Å; I249-M284 HydrophobicContact CG2-CB 4Å; I249-M284 HydrophobicContact CG2-CG 4.04Å; I249-M284 WeakPolarHBondContact O-CB 3.31Å; I279-M284 HydrophobicContact CG2-CE 4.23Å; I279-M284 HydrophobicContact CG2-CG 4.06Å; I279-M284 HydrophobicContact CG2-SD 4.37Å; M281-M284 PolarHBondContact O-N 3.44Å
285E56.3Low64Low137 Ų13764 Ų6464%0.6434%0.34SS*.  trans-118.1143.9170.4-65.5-164.3-15600109.4K95 T287K95-E285 IonicContact NZ-OE2 2.86Å; K95-E285 PolarHBondContact NZ-OE2 3.49Å; E285-T287 PolarHBondContact O-N 2.65Å; E285-T287 VanDerWaalsContact O-N 3.15Å
286K61.4Low61.7Low90 Ų9065.4 Ų65.439%0.39134%0.339SS..  trans-59118177.2-174.8177.4175.2-174.60109.9T250 E288 E293T250-K286 HydrophobicContact CG2-CB 3.78Å; K286-E288 WeakPolarHBondContact CE-O 3.3Å; K286-E288 VanDerWaalsContact CG-O 3.31Å; K286-E288 WeakPolarHBondContact CG-O 3.45Å; K286-E293 WeakPolarHBondContact CE-OE2 3.45Å; K286-E293 IonicContact NZ-OE1 3.33Å; K286-E293 PolarHBondContact NZ-OE1 3.41Å; K286-E293 IonicContact NZ-OE2 3.42Å; K286-E293 PolarHBondContact NZ-OE2 2.8Å
287T52.6Low59.4Low102 Ų10263.4 Ų63.463%0.62633%0.33SS*.  trans-114.2-15.7-178.745.70000112.9G247 E285G247-T287 PolarHBondContact O-N 3.44Å; E285-T287 PolarHBondContact O-N 2.65Å; E285-T287 VanDerWaalsContact O-N 3.15Å
288E53.4Low57.1Low41 Ų4165.2 Ų65.219%0.19234%0.342CS..SBendtrans-124.8159.9175.6-66.5-170.5158.300112.5N205 K245 G247 K286N205-E288 PolarHBondContact N-OE1 2.96Å; K245-E288 WeakPolarHBondContact CE-OE2 3.47Å; G247-E288 PolarHBondContact O-N 2.77Å; K286-E288 WeakPolarHBondContact CE-O 3.3Å; K286-E288 VanDerWaalsContact CG-O 3.31Å; K286-E288 WeakPolarHBondContact CG-O 3.45Å
289R49.9Very low55.1Low137 Ų13764 Ų6452%0.51732%0.324SS..  trans-71.6144.1174-70.8179.7-172.41771.4111.1K245 E293 L294K245-R289 PolarHBondContact NZ-O 3.04Å; R289-E293 VanDerWaalsContact CA-OE2 3.27Å; R289-E293 WeakPolarHBondContact CA-OE2 3.46Å; R289-E293 HydrophobicContact CB-CB 3.87Å; R289-E293 HydrophobicContact CG-CB 4.32Å; R289-L294 HydrophobicContact CB-CD1 4.24Å; R289-L294 HydrophobicContact CB-CG 3.9Å; R289-L294 WeakPolarHBondContact O-CD1 3.39Å
290T52.4Low53.1Low19 Ų1969.7 Ų69.712%0.11735%0.35CS..  trans-63.4165.1170.464.30000110.3D255 T292 E293 L294D255-T290 WeakPolarHBondContact OD2-CA 3.41Å; D255-T290 VanDerWaalsContact OD2-CB 3.3Å; D255-T290 WeakPolarHBondContact OD2-CB 3.32Å; T290-T292 VanDerWaalsContact C-N 3.32Å; T290-T292 PolarHBondContact O-N 3.3Å; T290-E293 PolarHBondContact N-OE2 3.22Å; T290-E293 PolarHBondContact O-N 3.42Å; T290-E293 WeakPolarHBondContact OG1-CB 3.38Å; T290-E293 WeakPolarHBondContact OG1-CG 3.43Å; T290-E293 PolarHBondContact OG1-N 3.39Å; T290-L294 PolarHBondContact O-N 3.28Å
291M48.1Very low51.2Low34 Ų3473.9 Ų73.917%0.16736%0.36CS..Hα-helixtrans-58.8-44.9177.5-67.2-61.6-69.700111.7W207 Y221 K245 E293 L294 E295W207-M291 HydrophobicContact CH2-CG 4.3Å; W207-M291 HydrophobicContact CZ2-CE 4.48Å; W207-M291 HydrophobicContact CZ2-CG 4.09Å; W207-M291 HydrophobicContact CZ2-SD 3.84Å; Y221-M291 WeakPolarHBondContact OH-CE 3.41Å; K245-M291 HydrophobicContact CD-SD 4.38Å; M291-E293 VanDerWaalsContact C-N 3.35Å; M291-E293 PolarHBondContact O-N 2.75Å; M291-L294 WeakPolarHBondContact O-CB 3.38Å; M291-L294 PolarHBondContact O-N 3.36Å; M291-L294 VanDerWaalsContact O-N 3.16Å; M291-E295 WeakPolarHBondContact O-CG 3.44Å; M291-E295 PolarHBondContact O-N 2.86Å
292T44.6Very low49.8Very low54 Ų5474.2 Ų74.233%0.33136%0.363SS..Hα-helixtrans-60.1-41.3174.8-35.50000112.1T290 E295 I296T290-T292 VanDerWaalsContact C-N 3.32Å; T290-T292 PolarHBondContact O-N 3.3Å; T292-E295 PolarHBondContact O-N 2.77Å; T292-I296 HydrophobicContact CG2-CD1 4.25Å; T292-I296 WeakPolarHBondContact O-CB 3.4Å; T292-I296 WeakPolarHBondContact O-CD1 3.42Å; T292-I296 WeakPolarHBondContact O-CG1 3.38Å; T292-I296 PolarHBondContact O-N 3.26Å
293E47.4Very low48.8Very low61 Ų6169 Ų6929%0.28535%0.346SS..Hα-helixtrans-68.8-33.6176.3-75.2168.3177.300112.9K286 R289 T290 M291 A297K286-E293 WeakPolarHBondContact CE-OE2 3.45Å; K286-E293 IonicContact NZ-OE1 3.33Å; K286-E293 PolarHBondContact NZ-OE1 3.41Å; K286-E293 IonicContact NZ-OE2 3.42Å; K286-E293 PolarHBondContact NZ-OE2 2.8Å; R289-E293 VanDerWaalsContact CA-OE2 3.27Å; R289-E293 WeakPolarHBondContact CA-OE2 3.46Å; R289-E293 HydrophobicContact CB-CB 3.87Å; R289-E293 HydrophobicContact CG-CB 4.32Å; T290-E293 PolarHBondContact N-OE2 3.22Å; T290-E293 PolarHBondContact O-N 3.42Å; T290-E293 WeakPolarHBondContact OG1-CB 3.38Å; T290-E293 WeakPolarHBondContact OG1-CG 3.43Å; T290-E293 PolarHBondContact OG1-N 3.39Å; M291-E293 VanDerWaalsContact C-N 3.35Å; M291-E293 PolarHBondContact O-N 2.75Å; E293-A297 WeakPolarHBondContact O-CB 3.46Å; E293-A297 PolarHBondContact O-N 3.4Å
294L46.3Very low48Very low45 Ų4564.4 Ų64.424%0.23632%0.318CS..Hα-helixtrans-67.4-45.2173.8-88.1148.8000110.9R289 T290 M291 A297 V298R289-L294 HydrophobicContact CB-CD1 4.24Å; R289-L294 HydrophobicContact CB-CG 3.9Å; R289-L294 WeakPolarHBondContact O-CD1 3.39Å; T290-L294 PolarHBondContact O-N 3.28Å; M291-L294 WeakPolarHBondContact O-CB 3.38Å; M291-L294 PolarHBondContact O-N 3.36Å; M291-L294 VanDerWaalsContact O-N 3.16Å; L294-A297 CarbonylContact O-C 3.5Å; L294-A297 PolarHBondContact O-N 2.91Å; L294-V298 WeakPolarHBondContact O-CB 3.33Å; L294-V298 VanDerWaalsContact O-CG2 3.23Å; L294-V298 WeakPolarHBondContact O-CG2 3.47Å; L294-V298 PolarHBondContact O-N 3.48Å
295E46.8Very low47.4Very low89 Ų8966.7 Ų66.742%0.41633%0.325SS..Hα-helixtrans-61.6-44.9176.5-72.2174.4-169.700111.9M291 T292 A297 V298 N299M291-E295 WeakPolarHBondContact O-CG 3.44Å; M291-E295 PolarHBondContact O-N 2.86Å; T292-E295 PolarHBondContact O-N 2.77Å; E295-A297 VanDerWaalsContact C-N 3.34Å; E295-A297 PolarHBondContact O-N 2.81Å; E295-V298 PolarHBondContact O-N 3.04Å; E295-N299 WeakPolarHBondContact O-CB 3.4Å; E295-N299 PolarHBondContact O-N 3.05Å; E295-N299 PolarHBondContact O-ND2 3.05Å
296I39.8Very low47.2Very low89 Ų8966.3 Ų66.346%0.45632%0.324SS..Hα-helixtrans-61.1-43.6174.3-67.5164.7000110.6T292 N299 Q300T292-I296 HydrophobicContact CG2-CD1 4.25Å; T292-I296 WeakPolarHBondContact O-CB 3.4Å; T292-I296 WeakPolarHBondContact O-CD1 3.42Å; T292-I296 WeakPolarHBondContact O-CG1 3.38Å; T292-I296 PolarHBondContact O-N 3.26Å; I296-N299 PolarHBondContact O-N 2.88Å; I296-Q300 HydrophobicContact CG2-CG 4.39Å; I296-Q300 WeakPolarHBondContact O-CB 3.4Å; I296-Q300 VanDerWaalsContact O-CG 3.32Å; I296-Q300 WeakPolarHBondContact O-CG 3.34Å; I296-Q300 PolarHBondContact O-N 3.25Å
297A39.1Very low47Very low7 Ų765.6 Ų65.66%0.05833%0.327CS..Hα-helixtrans-73.8-25-179.600000114.6E293 L294 E295 R301E293-A297 WeakPolarHBondContact O-CB 3.46Å; E293-A297 PolarHBondContact O-N 3.4Å; L294-A297 CarbonylContact O-C 3.5Å; L294-A297 PolarHBondContact O-N 2.91Å; E295-A297 VanDerWaalsContact C-N 3.34Å; E295-A297 PolarHBondContact O-N 2.81Å; A297-R301 WeakPolarHBondContact O-CB 3.27Å; A297-R301 PolarHBondContact O-N 3.26Å; A297-R301 PolarHBondContact O-NE 3.24Å
298V39.9Very low47.2Very low39 Ų3960.9 Ų60.924%0.23630%0.297CS..Hα-helixtrans-70.8-46.3169.8167.50000108.7L294 E295 Q300 R301L294-V298 WeakPolarHBondContact O-CB 3.33Å; L294-V298 VanDerWaalsContact O-CG2 3.23Å; L294-V298 WeakPolarHBondContact O-CG2 3.47Å; L294-V298 PolarHBondContact O-N 3.48Å; E295-V298 PolarHBondContact O-N 3.04Å; V298-Q300 PolarHBondContact O-N 3.39Å; V298-R301 PolarHBondContact O-N 2.63Å; V298-R301 VanDerWaalsContact O-N 3.16Å
299N40.7Very low47.3Very low20 Ų2060.7 Ų60.711%0.10730%0.296CS..Hα-helixtrans-64.7-36176.6-74.3-33.6000113.3E295 I296 R301 V302 W305E295-N299 WeakPolarHBondContact O-CB 3.4Å; E295-N299 PolarHBondContact O-N 3.05Å; E295-N299 PolarHBondContact O-ND2 3.05Å; I296-N299 PolarHBondContact O-N 2.88Å; N299-R301 VanDerWaalsContact C-N 3.32Å; N299-V302 PolarHBondContact O-N 3.45Å; N299-W305 VanDerWaalsContact O-CD1 3.29Å
300Q39.1Very low47.7Very low124 Ų12454.9 Ų54.958%0.57928%0.275SS*.Hα-helixtrans-70.8-23.3174.4-77.6178.5-2.500113.7I296 V298 V302I296-Q300 HydrophobicContact CG2-CG 4.39Å; I296-Q300 WeakPolarHBondContact O-CB 3.4Å; I296-Q300 VanDerWaalsContact O-CG 3.32Å; I296-Q300 WeakPolarHBondContact O-CG 3.34Å; I296-Q300 PolarHBondContact O-N 3.25Å; V298-Q300 PolarHBondContact O-N 3.39Å; Q300-V302 VanDerWaalsContact C-N 3.31Å
301R38.8Very low47.3Very low180 Ų18057.2 Ų57.268%0.67929%0.292SS*.THydrogen-bonded Turntrans-80.7-10178.1-94.9-175.7-76.5-171.5-0.4113.6A297 V298 N299A297-R301 WeakPolarHBondContact O-CB 3.27Å; A297-R301 PolarHBondContact O-N 3.26Å; A297-R301 PolarHBondContact O-NE 3.24Å; V298-R301 PolarHBondContact O-N 2.63Å; V298-R301 VanDerWaalsContact O-N 3.16Å; N299-R301 VanDerWaalsContact C-N 3.32Å
302V45.3Very low47.2Very low25 Ų2559.3 Ų59.315%0.15232%0.322CS..SBendtrans-89.1121.3177.1-171.40000108.8N299 Q300 E304 W305 T783N299-V302 PolarHBondContact O-N 3.45Å; Q300-V302 VanDerWaalsContact C-N 3.31Å; V302-E304 HydrophobicContact CG1-CB 4.1Å; V302-E304 HydrophobicContact CG1-CG 3.9Å; V302-E304 PolarHBondContact O-N 2.95Å; V302-W305 PolarHBondContact O-N 3.06Å; V302-W305 VanDerWaalsContact O-N 3.14Å; V302-T783 HydrophobicContact CG1-CG2 4.47Å; V302-T783 HydrophobicContact CG2-CG2 4.47Å
303G48Very low47.7Very low36 Ų3660 Ų6037%0.37133%0.327SS..THydrogen-bonded Turntrans-56.6-3.4178.700000115.9W305 E306 V307G303-W305 PolarHBondContact O-N 3.32Å; G303-E306 PolarHBondContact O-N 3.23Å; G303-V307 VanDerWaalsContact O-CG2 3.28Å; G303-V307 WeakPolarHBondContact O-CG2 3.38Å; G303-V307 PolarHBondContact O-N 3.5Å
304E51.6Low48.3Very low4 Ų464.2 Ų64.22%0.01936%0.357CS..Hα-helixtrans-53.2-39.7166-79.4-170.3178.300112.8V302 I308 R518 K580 G782V302-E304 HydrophobicContact CG1-CB 4.1Å; V302-E304 HydrophobicContact CG1-CG 3.9Å; V302-E304 PolarHBondContact O-N 2.95Å; E304-I308 HydrophobicContact CB-CD1 4.4Å; E304-I308 VanDerWaalsContact O-CB 3.3Å; E304-I308 WeakPolarHBondContact O-CB 3.48Å; E304-I308 VanDerWaalsContact O-CG1 3.32Å; E304-I308 WeakPolarHBondContact O-CG1 3.49Å; E304-I308 PolarHBondContact O-N 3.13Å; E304-R518 IonicContact OE1-NE 3.88Å; E304-R518 IonicContact OE1-NH2 3.59Å; E304-R518 PolarHBondContact OE1-NH2 3.12Å; E304-K580 IonicContact OE2-NZ 3.81Å; E304-G782 PolarHBondContact OE2-N 3.45Å
305W53.9Low49.7Very low67 Ų6763.4 Ų63.425%0.25435%0.353SS..Hα-helixtrans-65.8-44.8-178.2-89.471.5000112.1N299 V302 G303 Q309 M781 H789N299-W305 VanDerWaalsContact O-CD1 3.29Å; V302-W305 PolarHBondContact O-N 3.06Å; V302-W305 VanDerWaalsContact O-N 3.14Å; G303-W305 PolarHBondContact O-N 3.32Å; W305-Q309 VanDerWaalsContact CE3-NE2 3.26Å; W305-Q309 WeakPolarHBondContact O-CB 3.18Å; W305-Q309 PolarHBondContact O-N 3.45Å; W305-Q309 VanDerWaalsContact O-N 3.08Å; W305-M781 VanDerWaalsContact CA-CE 3.44Å; W305-M781 HydrophobicContact CB-CE 3.94Å; W305-M781 HydrophobicContact CD2-CE 3.46Å; W305-M781 VanDerWaalsContact CD2-CE 3.46Å; W305-M781 HydrophobicContact CE3-CE 3.79Å; W305-M781 HydrophobicContact CG-CE 3.55Å; W305-H789 HydrophobicContact CH2-CB 3.73Å; W305-H789 AromaticContact CH2-CG 3.88Å; W305-H789 HydrophobicContact CZ2-CB 3.51Å
306E52.3Low51.4Low130 Ų13066 Ų6661%0.60736%0.362SS*.Hα-helixtrans-68.7-36.7179.1-63.6-179.1168.800112.6G303 E310 S311G303-E306 PolarHBondContact O-N 3.23Å; E306-E310 CarbonylContact O-C 3.56Å; E306-E310 WeakPolarHBondContact O-CA 3.29Å; E306-E310 PolarHBondContact O-N 3.01Å; E306-E310 VanDerWaalsContact O-N 3.12Å; E306-S311 PolarHBondContact O-N 2.85Å
307V56.6Low53.6Low75 Ų7564.2 Ų64.246%0.45536%0.357SS..Hα-helixtrans-72.1-46.3178173.30000111G303 E310 P815 L818G303-V307 VanDerWaalsContact O-CG2 3.28Å; G303-V307 WeakPolarHBondContact O-CG2 3.38Å; G303-V307 PolarHBondContact O-N 3.5Å; V307-E310 PolarHBondContact O-N 2.99Å; V307-P815 HydrophobicContact CG1-CB 4.49Å; V307-L818 HydrophobicContact CG1-CD1 4.08Å
308I57.7Low55.8Low2 Ų265.1 Ų65.11%0.0136%0.361CS..Hα-helixtrans-76-32.3-173-65.9167.4000112.5E304 E310 M781 V791 H793 I802 P815 L818E304-I308 HydrophobicContact CB-CD1 4.4Å; E304-I308 VanDerWaalsContact O-CB 3.3Å; E304-I308 WeakPolarHBondContact O-CB 3.48Å; E304-I308 VanDerWaalsContact O-CG1 3.32Å; E304-I308 WeakPolarHBondContact O-CG1 3.49Å; E304-I308 PolarHBondContact O-N 3.13Å; I308-E310 VanDerWaalsContact C-N 3.33Å; I308-M781 HydrophobicContact CB-CE 4.04Å; I308-M781 HydrophobicContact CB-CG 4.02Å; I308-M781 HydrophobicContact CB-SD 4.21Å; I308-M781 HydrophobicContact CD1-CB 4.33Å; I308-M781 HydrophobicContact CD1-CG 3.7Å; I308-M781 HydrophobicContact CG1-CG 4.46Å; I308-M781 HydrophobicContact CG2-CE 4.21Å; I308-M781 HydrophobicContact CG2-CG 3.61Å; I308-M781 HydrophobicContact CG2-SD 3.72Å; I308-V791 HydrophobicContact CG2-CG2 3.5Å; I308-H793 PolarHBondContact O-CE1 2.89Å; I308-I802 WeakPolarHBondContact O-CD1 3.42Å; I308-P815 HydrophobicContact CB-CG 4.37Å; I308-P815 HydrophobicContact CG1-CB 4.31Å; I308-P815 HydrophobicContact CG1-CG 4.28Å; I308-P815 HydrophobicContact CG2-CG 4.27Å; I308-L818 HydrophobicContact CD1-CB 4.28Å; I308-L818 HydrophobicContact CD1-CD1 4.08Å; I308-L818 HydrophobicContact CG1-CB 4.41Å; I308-L818 HydrophobicContact CG1-CD1 3.82Å
309Q55.8Low58.2Low37 Ų3765.7 Ų65.717%0.17336%0.36CS..THydrogen-bonded Turntrans-90.50.8173.7-68.1178.26.100112.9W305 S311 M781 N804W305-Q309 VanDerWaalsContact CE3-NE2 3.26Å; W305-Q309 WeakPolarHBondContact O-CB 3.18Å; W305-Q309 PolarHBondContact O-N 3.45Å; W305-Q309 VanDerWaalsContact O-N 3.08Å; Q309-S311 VanDerWaalsContact CB-OG 3.29Å; Q309-S311 WeakPolarHBondContact CB-OG 3.48Å; Q309-S311 PolarHBondContact O-N 3.28Å; Q309-S311 VanDerWaalsContact O-N 3.12Å; Q309-M781 HydrophobicContact CG-CE 3.66Å; Q309-M781 HydrophobicContact CG-SD 4.12Å; Q309-N804 VanDerWaalsContact CD-ND2 3.27Å; Q309-N804 PolarHBondContact NE2-ND2 2.71Å
310E56.9Low60.6Low16 Ų1665.5 Ų65.58%0.07536%0.363CS..THydrogen-bonded Turntrans48.233.9-171.1-57.7177.4-148.200112.4E306 V307 I308 G312 T313 L315 S811 E812 K813E306-E310 CarbonylContact O-C 3.56Å; E306-E310 WeakPolarHBondContact O-CA 3.29Å; E306-E310 PolarHBondContact O-N 3.01Å; E306-E310 VanDerWaalsContact O-N 3.12Å; V307-E310 PolarHBondContact O-N 2.99Å; I308-E310 VanDerWaalsContact C-N 3.33Å; E310-G312 PolarHBondContact O-N 2.8Å; E310-T313 PolarHBondContact O-N 3.42Å; E310-T313 PolarHBondContact O-OG1 3.39Å; E310-L315 HydrophobicContact CB-CD1 4.1Å; E310-L315 HydrophobicContact CB-CD2 3.91Å; E310-L315 HydrophobicContact CB-CG 4.3Å; E310-L315 WeakPolarHBondContact OE2-CD2 3.29Å; E310-S811 WeakPolarHBondContact OE1-CB 3.25Å; E310-S811 PolarHBondContact OE1-OG 3.4Å; E310-E812 PolarHBondContact OE2-N 2.9Å; E310-K813 PolarHBondContact OE1-N 3.25Å; E310-K813 PolarHBondContact OE2-N 3.01Å
311S45Very low63.1Low67 Ų6764.3 Ų64.347%0.46937%0.366SS..THydrogen-bonded Turntrans-62.5-15.1-170.9-51.40000114.5E306 Q309 T313E306-S311 PolarHBondContact O-N 2.85Å; Q309-S311 VanDerWaalsContact CB-OG 3.29Å; Q309-S311 WeakPolarHBondContact CB-OG 3.48Å; Q309-S311 PolarHBondContact O-N 3.28Å; Q309-S311 VanDerWaalsContact O-N 3.12Å; S311-T313 PolarHBondContact O-N 3.44Å
312G45.6Very low65.7Low78 Ų7856.1 Ų56.180%0.80434%0.337SS*.THydrogen-bonded Turntrans-75.1-6171.600000114E310E310-G312 PolarHBondContact O-N 2.8Å
313T55Low68Low68 Ų6856.4 Ų56.442%0.41734%0.337SS..SBendtrans-125.4136.4177.452.60000110.4E310 S311 L315E310-T313 PolarHBondContact O-N 3.42Å; E310-T313 PolarHBondContact O-OG1 3.39Å; S311-T313 PolarHBondContact O-N 3.44Å; T313-L315 VanDerWaalsContact C-N 3.31Å; T313-L315 PolarHBondContact O-N 3.35Å; T313-L315 WeakPolarHBondContact OG1-CD2 3.2Å
314T61.3Low70.2Confident150 Ų15054.7 Ų54.792%0.9232%0.32SS*.  trans-71.589.1170.147.50000108.8
315L75.2Confident72.1Confident28 Ų2854.5 Ų54.515%0.14732%0.319CS..PPolyproline II helixtrans-65.2143.5177.5-56.9-179.1000110.8E310 T313 P317 I802 C809 A810E310-L315 HydrophobicContact CB-CD1 4.1Å; E310-L315 HydrophobicContact CB-CD2 3.91Å; E310-L315 HydrophobicContact CB-CG 4.3Å; E310-L315 WeakPolarHBondContact OE2-CD2 3.29Å; T313-L315 VanDerWaalsContact C-N 3.31Å; T313-L315 PolarHBondContact O-N 3.35Å; T313-L315 WeakPolarHBondContact OG1-CD2 3.2Å; L315-P317 WeakPolarHBondContact O-CD 3.3Å; L315-I802 HydrophobicContact CD1-CG2 3.84Å; L315-C809 HydrophobicContact CB-CB 3.61Å; L315-C809 HydrophobicContact CD1-CB 3.88Å; L315-C809 HydrophobicContact CG-CB 4.45Å; L315-A810 WeakPolarHBondContact CD2-O 3.23Å
316K82.5Confident73.9Confident143 Ų14351.3 Ų51.362%0.62231%0.307SS*.PPolyproline II helixtrans-73.7121.1177.4-177.4178.9177.7178.60110.2C809 A810K316-C809 WeakPolarHBondContact O-CA 3.02Å; K316-A810 HydrophobicContact CB-CB 4.42Å; K316-A810 PolarHBondContact O-N 3.04Å
317P84.6Confident75.5Confident52 Ų5248.3 Ų48.334%0.33829%0.292SS..BIsolated β-bridgetrans-61.5141.5172.2-2234000111.4L315 F319L315-P317 WeakPolarHBondContact O-CD 3.3Å; P317-F319 HydrophobicContact CB-CE2 3.96Å; P317-F319 HydrophobicContact CB-CZ 4.01Å
318L87.1Confident76.5Confident27 Ų2747.7 Ų47.714%0.14129%0.286CS..  trans-117.2144.2179.8-63.8-178.9000111.1L323 V801 V808 A810L318-L323 HydrophobicContact CB-CD1 4.15Å; L318-L323 HydrophobicContact CB-CD2 4.22Å; L318-L323 HydrophobicContact CD1-CD2 4.27Å; L318-V801 HydrophobicContact CD1-CB 4.35Å; L318-V801 HydrophobicContact CD1-CG1 3.92Å; L318-V801 HydrophobicContact CD1-CG2 3.64Å; L318-V808 HydrophobicContact CB-CG1 4.38Å; L318-V808 PolarHBondContact N-O 3.42Å; L318-A810 HydrophobicContact CD1-CB 4.05Å; L318-A810 HydrophobicContact CD2-CB 4.36Å; L318-A810 HydrophobicContact CG-CB 4.29Å
319F89.8Confident77.2Confident51 Ų5147.7 Ų47.722%0.22429%0.286CS..  trans-138.5154.7-177.1-55.5-79.9000110.8P317 L323 S388 P390 P403 G405 Q407P317-F319 HydrophobicContact CB-CE2 3.96Å; P317-F319 HydrophobicContact CB-CZ 4.01Å; F319-L323 VanDerWaalsContact O-CD1 3.26Å; F319-L323 WeakPolarHBondContact O-CD1 3.35Å; F319-S388 WeakPolarHBondContact CA-OG 3.33Å; F319-P390 HydrophobicContact CD1-CG 4.26Å; F319-P390 HydrophobicContact CD2-CG 4.19Å; F319-P390 HydrophobicContact CE1-CB 4.36Å; F319-P390 HydrophobicContact CE1-CG 4.22Å; F319-P390 HydrophobicContact CE2-CG 4.16Å; F319-P390 HydrophobicContact CG-CG 4.23Å; F319-P390 HydrophobicContact CZ-CB 4.3Å; F319-P390 HydrophobicContact CZ-CG 4.18Å; F319-P403 HydrophobicContact CE2-CB 4.39Å; F319-P403 HydrophobicContact CE2-CG 4.1Å; F319-G405 WeakPolarHBondContact CZ-O 3.48Å; F319-Q407 HydrophobicContact CD1-CB 4.15Å; F319-Q407 HydrophobicContact CE1-CB 3.93Å
320G90.1Very high77.4Confident16 Ų1647.3 Ų47.317%0.16529%0.292CS..SBendtrans118-168.8173.700000114.7G322 L323 S388G320-G322 PolarHBondContact O-N 2.94Å; G320-L323 WeakPolarHBondContact O-CB 3.46Å; G320-L323 PolarHBondContact O-N 3.47Å; G320-S388 PolarHBondContact N-O 3.24Å; G320-S388 PolarHBondContact N-OG 3.36Å; G320-S388 WeakPolarHBondContact O-CB 3.43Å; G320-S388 PolarHBondContact O-OG 2.95Å
321P92.5Very high78.2Confident99 Ų9949.3 Ų49.364%0.64330%0.303SS*.THydrogen-bonded Turntrans-55.6128.4-178.7-27.136.6000112.4L323 L383P321-L323 PolarHBondContact O-N 2.62Å; P321-L383 WeakPolarHBondContact CA-O 3.4Å; P321-L383 WeakPolarHBondContact CB-O 3.49Å
322G92.9Very high79.9Confident7 Ų746.2 Ų46.27%0.07228%0.281CS..THydrogen-bonded Turntrans72.26.5-177.500000114.6G320 L382 L383 K796G320-G322 PolarHBondContact O-N 2.94Å; G322-L382 WeakPolarHBondContact CA-O 3.36Å; G322-L382 PolarHBondContact N-O 2.96Å; G322-L383 PolarHBondContact N-O 3.47Å; G322-K796 PolarHBondContact O-NZ 2.92Å
323L93.8Very high81.7Confident31 Ų3142.7 Ų42.716%0.16225%0.245CC..  trans-115.627.7-180-63.1165.9000111.1L318 F319 G320 P321 S388 Q407 K796 V801 F803 V808L318-L323 HydrophobicContact CB-CD1 4.15Å; L318-L323 HydrophobicContact CB-CD2 4.22Å; L318-L323 HydrophobicContact CD1-CD2 4.27Å; F319-L323 VanDerWaalsContact O-CD1 3.26Å; F319-L323 WeakPolarHBondContact O-CD1 3.35Å; G320-L323 WeakPolarHBondContact O-CB 3.46Å; G320-L323 PolarHBondContact O-N 3.47Å; P321-L323 PolarHBondContact O-N 2.62Å; L323-S388 VanDerWaalsContact C-OG 3.27Å; L323-S388 PolarHBondContact O-OG 3.35Å; L323-Q407 PolarHBondContact O-NE2 2.77Å; L323-Q407 PolarHBondContact O-OE1 3.3Å; L323-K796 HydrophobicContact CD2-CD 4.42Å; L323-V801 HydrophobicContact CD2-CG1 4.04Å; L323-V801 HydrophobicContact CD2-CG2 4.27Å; L323-F803 HydrophobicContact CD2-CZ 4.26Å; L323-V808 HydrophobicContact CB-CG1 4.4Å; L323-V808 HydrophobicContact CD2-CG1 4.21Å
324T94.4Very high83.4Confident0 Ų039.6 Ų39.60%023%0.225CC..  trans-81.9129.2178.4-53.40000111.3Q340 G381 L382 Q407 I410T324-Q340 PolarHBondContact O-NE2 3.4Å; T324-G381 WeakPolarHBondContact CG2-O 3.49Å; T324-G381 PolarHBondContact OG1-O 3.13Å; T324-L382 HydrophobicContact CG2-CD2 4.5Å; T324-L382 PolarHBondContact OG1-O 3.09Å; T324-Q407 VanDerWaalsContact CA-OE1 3.26Å; T324-I410 HydrophobicContact CG2-CD1 4.45Å; T324-I410 HydrophobicContact CG2-CG1 4.2Å; T324-I410 HydrophobicContact CG2-CG2 3.87Å
325G91.1Very high85Confident0 Ų032.5 Ų32.50%018%0.182CC..  trans-83.2155.6171.700000112.6Q407 G409 I410 D805G325-Q407 VanDerWaalsContact N-CD 3.27Å; G325-G409 CarbonylContact O-C 3.53Å; G325-G409 WeakPolarHBondContact O-CA 3.07Å; G325-I410 PolarHBondContact O-N 3.41Å; G325-D805 CarbonylContact C-O 3.52Å; G325-D805 VanDerWaalsContact CA-O 3.26Å; G325-D805 WeakPolarHBondContact CA-O 3.14Å
326M92.3Very high86Confident0 Ų031.3 Ų31.30%018%0.175CC..BIsolated β-bridgetrans-113.8127.9178.2-73.1-170.3-87.700111.5N328 N336 M339 Q340 L378 L382 I410 P412 D805 Q806M326-N328 PolarHBondContact O-N 2.92Å; M326-N336 HydrophobicContact CB-CB 4.19Å; M326-N336 HydrophobicContact CE-CB 4.01Å; M326-N336 WeakPolarHBondContact CE-O 3.43Å; M326-N336 PolarHBondContact O-ND2 2.93Å; M326-M339 HydrophobicContact CE-CB 4.15Å; M326-Q340 HydrophobicContact CE-CB 4.42Å; M326-Q340 HydrophobicContact CE-CG 3.5Å; M326-Q340 VanDerWaalsContact CE-CG 3.5Å; M326-L378 HydrophobicContact SD-CD1 4Å; M326-L382 HydrophobicContact CE-CD1 4.3Å; M326-L382 HydrophobicContact CE-CD2 4.09Å; M326-L382 HydrophobicContact CG-CD2 3.89Å; M326-L382 HydrophobicContact SD-CD2 4.11Å; M326-I410 CarbonylContact C-O 3.58Å; M326-I410 WeakPolarHBondContact CA-O 3.2Å; M326-I410 HydrophobicContact CG-CD1 3.98Å; M326-I410 HydrophobicContact CG-CG1 3.7Å; M326-I410 HydrophobicContact SD-CD1 4.46Å; M326-P412 HydrophobicContact SD-CG 4.19Å; M326-D805 PolarHBondContact N-O 3.08Å; M326-D805 CarbonylContact O-C 3.57Å; M326-D805 WeakPolarHBondContact O-CA 3.46Å; M326-D805 VanDerWaalsContact O-CB 3.32Å; M326-D805 WeakPolarHBondContact O-CB 3.16Å; M326-Q806 PolarHBondContact O-N 3.01Å; M326-Q806 VanDerWaalsContact O-N 3.09Å
327K85.8Confident86.6Confident68 Ų6824.6 Ų24.630%0.29615%0.147SC..  trans-61.6132.6175.7-53.3-154.1171.8173.10110.3L329 V408 I410 A411 Q806K327-L329 PolarHBondContact O-N 2.8Å; K327-V408 WeakPolarHBondContact CE-O 3.18Å; K327-I410 WeakPolarHBondContact CG-O 3.45Å; K327-I410 PolarHBondContact N-O 2.99Å; K327-A411 HydrophobicContact CB-CB 4.16Å; K327-A411 HydrophobicContact CD-CB 4.19Å; K327-A411 HydrophobicContact CG-CB 4.15Å; K327-Q806 HydrophobicContact CB-CG 4.22Å; K327-Q806 VanDerWaalsContact CD-NE2 3.3Å; K327-Q806 HydrophobicContact CG-CG 3.98Å
328N77.7Confident87.3Confident61 Ų6122.1 Ų22.133%0.32613%0.131SC..  trans-67.8129169.2-164.1-54.5000109.3M326 G330 N331 S332 D805M326-N328 PolarHBondContact O-N 2.92Å; N328-G330 PolarHBondContact OD1-N 2.95Å; N328-N331 PolarHBondContact OD1-N 3.31Å; N328-N331 VanDerWaalsContact OD1-N 3.14Å; N328-S332 PolarHBondContact OD1-N 2.9Å; N328-D805 HydrophobicContact CB-CB 4.36Å; N328-D805 WeakPolarHBondContact CB-OD2 3.17Å; N328-D805 PolarHBondContact ND2-OD2 3.18Å
329L72.1Confident87.8Confident2 Ų220.9 Ų20.91%0.0112%0.124CC..  trans-106.728.9-175.9-58.4-178.3000112.1Q166 K327 S332 A411 P412 R413 K416Q166-L329 VanDerWaalsContact CG-O 3.26Å; Q166-L329 WeakPolarHBondContact CG-O 3.47Å; Q166-L329 PolarHBondContact NE2-O 3.18Å; K327-L329 PolarHBondContact O-N 2.8Å; L329-S332 PolarHBondContact N-OG 2.89Å; L329-A411 HydrophobicContact CD2-CB 4.24Å; L329-P412 HydrophobicContact CD1-CG 4.17Å; L329-R413 HydrophobicContact CD1-CB 4.36Å; L329-R413 HydrophobicContact CD1-CG 3.81Å; L329-R413 HydrophobicContact CD2-CG 3.74Å; L329-R413 HydrophobicContact CG-CG 4.43Å; L329-K416 HydrophobicContact CB-CD 4.41Å; L329-K416 HydrophobicContact CD1-CB 4.39Å; L329-K416 HydrophobicContact CD1-CD 4.25Å
330G60.8Low88.2Confident29 Ų2918.8 Ų18.830%0.29912%0.115SC..SBendtrans81.197.9-168.200000109.9N328 S332N328-G330 PolarHBondContact OD1-N 2.95Å; G330-S332 PolarHBondContact O-N 3.42Å
331N72.4Confident88.6Confident59 Ų5918 Ų1832%0.31611%0.107SC..SBendtrans58.625.1179.1-60.6-42.9000115.4N328 C333 Y334 N429 Q431N328-N331 PolarHBondContact OD1-N 3.31Å; N328-N331 VanDerWaalsContact OD1-N 3.14Å; N331-C333 VanDerWaalsContact C-N 3.33Å; N331-C333 PolarHBondContact O-N 3.09Å; N331-Y334 WeakPolarHBondContact O-CD1 3.47Å; N331-Y334 WeakPolarHBondContact O-CE1 3.41Å; N331-N429 WeakPolarHBondContact CB-O 3.37Å; N331-N429 PolarHBondContact ND2-O 2.99Å; N331-Q431 HydrophobicContact CB-CB 4.46Å; N331-Q431 HydrophobicContact CB-CG 3.66Å; N331-Q431 VanDerWaalsContact OD1-CG 3.31Å; N331-Q431 WeakPolarHBondContact OD1-CG 3.43Å; N331-Q431 PolarHBondContact OD1-NE2 3.42Å
332S80.5Confident88.8Confident1 Ų113.4 Ų13.41%0.0078%0.077CC..THydrogen-bonded Turntrans-89.813.5-176.872.60000114.8N328 L329 G330 Y334 L335 N336N328-S332 PolarHBondContact OD1-N 2.9Å; L329-S332 PolarHBondContact N-OG 2.89Å; G330-S332 PolarHBondContact O-N 3.42Å; S332-Y334 VanDerWaalsContact C-N 3.28Å; S332-Y334 PolarHBondContact O-N 3.38Å; S332-L335 PolarHBondContact O-N 3.34Å; S332-N336 VanDerWaalsContact O-CG 3.32Å; S332-N336 PolarHBondContact O-N 3Å; S332-N336 PolarHBondContact O-OD1 2.92Å
333C84.3Confident89Confident5 Ų513.1 Ų13.13%0.0347%0.074CC..Hα-helixtrans-65.9-28.3-174.854.80000113.1N331 N336 S337 Y790N331-C333 VanDerWaalsContact C-N 3.33Å; N331-C333 PolarHBondContact O-N 3.09Å; C333-N336 PolarHBondContact O-N 3.29Å; C333-S337 WeakPolarHBondContact O-CB 3.31Å; C333-S337 PolarHBondContact O-N 3.06Å; C333-S337 PolarHBondContact O-OG 3.17Å; C333-Y790 PolarHBondContact SG-N 2.86Å; C333-Y790 VanDerWaalsContact SG-N 3.42Å
334Y89.9Confident89.1Confident2 Ų213 Ų131%0.0087%0.074CC..Hα-helixtrans-61.5-47.5172.165.7-93000111.3N331 S332 S337 V338 F426 Q432 F437N331-Y334 WeakPolarHBondContact O-CD1 3.47Å; N331-Y334 WeakPolarHBondContact O-CE1 3.41Å; S332-Y334 VanDerWaalsContact C-N 3.28Å; S332-Y334 PolarHBondContact O-N 3.38Å; Y334-S337 PolarHBondContact O-N 3.24Å; Y334-V338 WeakPolarHBondContact O-CG2 3.29Å; Y334-V338 PolarHBondContact O-N 3.46Å; Y334-F426 AromaticContact CE2-CD1 3.81Å; Y334-F426 HydrophobicContact CE2-CD1 3.81Å; Y334-F426 HydrophobicContact CE2-CE1 4Å; Y334-Q432 WeakPolarHBondContact CB-O 3.49Å; Y334-Q432 HydrophobicContact CD1-CB 3.75Å; Y334-Q432 HydrophobicContact CD1-CG 4.41Å; Y334-Q432 HydrophobicContact CD2-CB 4.14Å; Y334-Q432 HydrophobicContact CE1-CB 3.58Å; Y334-Q432 HydrophobicContact CE1-CG 3.75Å; Y334-Q432 HydrophobicContact CE2-CB 4.03Å; Y334-Q432 HydrophobicContact CE2-CG 4.45Å; Y334-Q432 HydrophobicContact CG-CB 4.03Å; Y334-F437 HydrophobicContact CD2-CB 3.73Å; Y334-F437 HydrophobicContact CD2-CD1 4.19Å; Y334-F437 HydrophobicContact CD2-CD2 4.05Å; Y334-F437 AromaticContact CD2-CG 3.7Å; Y334-F437 HydrophobicContact CD2-CG 3.7Å; Y334-F437 HydrophobicContact CE2-CB 4.15Å; Y334-F437 AromaticContact CE2-CD2 3.69Å; Y334-F437 HydrophobicContact CE2-CD2 3.69Å; Y334-F437 HydrophobicContact CE2-CE2 4.24Å; Y334-F437 AromaticContact CE2-CG 3.85Å; Y334-F437 HydrophobicContact CE2-CG 3.85Å
335L95.8Very high89.1Confident1 Ų113 Ų131%0.0057%0.074CC..Hα-helixtrans-64-47.4177.9177.7157.4000109.9S332 S337 V338 M339 P412 F415 K416 V419 F437S332-L335 PolarHBondContact O-N 3.34Å; L335-S337 VanDerWaalsContact C-N 3.34Å; L335-S337 PolarHBondContact O-N 2.89Å; L335-V338 PolarHBondContact O-N 2.77Å; L335-M339 HydrophobicContact CD2-CG 4.14Å; L335-M339 HydrophobicContact CG-CG 4.3Å; L335-M339 WeakPolarHBondContact O-CB 3.17Å; L335-M339 VanDerWaalsContact O-CG 3.25Å; L335-M339 WeakPolarHBondContact O-CG 3.48Å; L335-M339 PolarHBondContact O-N 2.85Å; L335-P412 HydrophobicContact CD2-CG 4.2Å; L335-F415 HydrophobicContact CD1-CD1 4.11Å; L335-F415 HydrophobicContact CD1-CE1 3.97Å; L335-F415 HydrophobicContact CD2-CD1 4.24Å; L335-F415 HydrophobicContact CD2-CE1 4.16Å; L335-F415 HydrophobicContact CG-CE1 4.14Å; L335-K416 HydrophobicContact CD1-CB 4.01Å; L335-K416 HydrophobicContact CD1-CG 4Å; L335-V419 HydrophobicContact CD1-CG2 4.34Å; L335-F437 HydrophobicContact CB-CD1 4.45Å; L335-F437 HydrophobicContact CB-CE1 3.96Å; L335-F437 HydrophobicContact CB-CE2 4.47Å; L335-F437 HydrophobicContact CB-CZ 3.98Å; L335-F437 HydrophobicContact CD1-CE1 4.46Å; L335-F437 HydrophobicContact CD1-CE2 4.08Å; L335-F437 HydrophobicContact CD1-CZ 3.7Å; L335-F437 HydrophobicContact CG-CE1 3.83Å; L335-F437 HydrophobicContact CG-CE2 4.3Å; L335-F437 HydrophobicContact CG-CZ 3.55Å
336N95Very high89.3Confident3 Ų316.4 Ų16.42%0.01610%0.097CC..Hα-helixtrans-57.9-48.9179.9-67.8-10.9000110.7M326 S332 C333 M339 Q340 D805M326-N336 HydrophobicContact CB-CB 4.19Å; M326-N336 HydrophobicContact CE-CB 4.01Å; M326-N336 WeakPolarHBondContact CE-O 3.43Å; M326-N336 PolarHBondContact O-ND2 2.93Å; S332-N336 VanDerWaalsContact O-CG 3.32Å; S332-N336 PolarHBondContact O-N 3Å; S332-N336 PolarHBondContact O-OD1 2.92Å; C333-N336 PolarHBondContact O-N 3.29Å; N336-M339 PolarHBondContact O-N 2.71Å; N336-Q340 VanDerWaalsContact O-CG 3.28Å; N336-Q340 WeakPolarHBondContact O-CG 3.41Å; N336-Q340 PolarHBondContact O-N 2.72Å; N336-D805 PolarHBondContact ND2-OD1 3.41Å
337S96.9Very high89.4Confident3 Ų317.9 Ų17.92%0.02111%0.105CC..Hα-helixtrans-63-45.3-178.7-63.60000112.8C333 Y334 L335 V341 Y790C333-S337 WeakPolarHBondContact O-CB 3.31Å; C333-S337 PolarHBondContact O-N 3.06Å; C333-S337 PolarHBondContact O-OG 3.17Å; Y334-S337 PolarHBondContact O-N 3.24Å; L335-S337 VanDerWaalsContact C-N 3.34Å; L335-S337 PolarHBondContact O-N 2.89Å; S337-V341 WeakPolarHBondContact O-CG2 3.36Å; S337-V341 PolarHBondContact O-N 2.79Å; S337-Y790 PolarHBondContact OG-O 2.8Å
338V98.3Very high89.9Confident0 Ų014.7 Ų14.70%09%0.09CC..Hα-helixtrans-64.1-47.6178.31700000111.1Y334 L335 Q340 V341 L342 A434 F437 L438 I778Y334-V338 WeakPolarHBondContact O-CG2 3.29Å; Y334-V338 PolarHBondContact O-N 3.46Å; L335-V338 PolarHBondContact O-N 2.77Å; V338-Q340 PolarHBondContact O-N 2.8Å; V338-V341 PolarHBondContact O-N 2.62Å; V338-L342 HydrophobicContact CG1-CD1 3.84Å; V338-L342 HydrophobicContact CG1-CG 4.18Å; V338-L342 WeakPolarHBondContact O-CG 3.39Å; V338-L342 PolarHBondContact O-N 3.16Å; V338-A434 HydrophobicContact CG2-CB 4.09Å; V338-A434 WeakPolarHBondContact CG2-O 3.2Å; V338-F437 HydrophobicContact CB-CD1 3.83Å; V338-F437 HydrophobicContact CB-CE1 4.17Å; V338-F437 HydrophobicContact CG1-CD1 3.9Å; V338-F437 HydrophobicContact CG1-CE1 4.12Å; V338-F437 HydrophobicContact CG2-CD1 4.05Å; V338-L438 HydrophobicContact CG1-CB 4.13Å; V338-L438 HydrophobicContact CG1-CD1 3.95Å; V338-L438 HydrophobicContact CG2-CB 4.35Å; V338-I778 HydrophobicContact CG2-CD1 3.89Å
339M98.1Very high90.8Very high0 Ų014.8 Ų14.80%09%0.089CC..Hα-helixtrans-68.9-34.3-176.4-63.7-46.7-58.500112.7M326 L335 N336 V341 L342 F343 L378 F415 F437 F441M326-M339 HydrophobicContact CE-CB 4.15Å; L335-M339 HydrophobicContact CD2-CG 4.14Å; L335-M339 HydrophobicContact CG-CG 4.3Å; L335-M339 WeakPolarHBondContact O-CB 3.17Å; L335-M339 VanDerWaalsContact O-CG 3.25Å; L335-M339 WeakPolarHBondContact O-CG 3.48Å; L335-M339 PolarHBondContact O-N 2.85Å; N336-M339 PolarHBondContact O-N 2.71Å; M339-V341 VanDerWaalsContact C-N 3.31Å; M339-V341 PolarHBondContact O-N 2.96Å; M339-L342 HydrophobicContact CE-CD1 4.35Å; M339-L342 PolarHBondContact O-N 2.86Å; M339-L342 HydrophobicContact SD-CD1 4.03Å; M339-F343 HydrophobicContact CE-CD2 4.03Å; M339-F343 HydrophobicContact CE-CE2 3.43Å; M339-F343 VanDerWaalsContact CE-CE2 3.43Å; M339-F343 HydrophobicContact CE-CZ 4.23Å; M339-F343 WeakPolarHBondContact O-CD2 3.45Å; M339-F343 PolarHBondContact O-N 3.43Å; M339-L378 HydrophobicContact CB-CD2 4.1Å; M339-L378 HydrophobicContact CE-CD2 3.84Å; M339-L378 HydrophobicContact CG-CD2 3.96Å; M339-F415 HydrophobicContact CE-CE1 4.48Å; M339-F415 HydrophobicContact CE-CE2 4.46Å; M339-F415 HydrophobicContact CE-CZ 3.83Å; M339-F415 HydrophobicContact CG-CE1 3.93Å; M339-F415 HydrophobicContact CG-CZ 4.19Å; M339-F415 HydrophobicContact SD-CE1 4.14Å; M339-F415 HydrophobicContact SD-CZ 3.83Å; M339-F437 HydrophobicContact CG-CE1 4.27Å; M339-F437 HydrophobicContact SD-CE1 4.09Å; M339-F441 HydrophobicContact CE-CD1 4.43Å; M339-F441 HydrophobicContact CE-CE1 3.75Å; M339-F441 HydrophobicContact CE-CE2 4.12Å; M339-F441 HydrophobicContact CE-CZ 3.58Å; M339-F441 HydrophobicContact SD-CD1 4.17Å; M339-F441 HydrophobicContact SD-CD2 4.36Å; M339-F441 HydrophobicContact SD-CE1 4.08Å; M339-F441 HydrophobicContact SD-CE2 4.31Å; M339-F441 HydrophobicContact SD-CG 4.3Å; M339-F441 HydrophobicContact SD-CZ 4.16Å
340Q97.4Very high91.8Very high8 Ų817.3 Ų17.34%0.03711%0.107CC..Hα-helixtrans-57.2-45.7172-75.7-631.800111.4T324 M326 N336 V338 T344 C792 I794 F803T324-Q340 PolarHBondContact O-NE2 3.4Å; M326-Q340 HydrophobicContact CE-CB 4.42Å; M326-Q340 HydrophobicContact CE-CG 3.5Å; M326-Q340 VanDerWaalsContact CE-CG 3.5Å; N336-Q340 VanDerWaalsContact O-CG 3.28Å; N336-Q340 WeakPolarHBondContact O-CG 3.41Å; N336-Q340 PolarHBondContact O-N 2.72Å; V338-Q340 PolarHBondContact O-N 2.8Å; Q340-T344 WeakPolarHBondContact O-CG2 3.44Å; Q340-C792 VanDerWaalsContact CB-SG 3.56Å; Q340-I794 HydrophobicContact CB-CD1 4Å; Q340-F803 VanDerWaalsContact CD-CD1 3.43Å; Q340-F803 HydrophobicContact CG-CB 3.99Å; Q340-F803 HydrophobicContact CG-CD1 4.02Å; Q340-F803 HydrophobicContact CG-CG 4.06Å
341V97.9Very high93.4Very high0 Ų016.8 Ų16.80%010%0.098CC..Hα-helixtrans-69.1-47.2-179.4177.70000111.2S337 V338 M339 F343 T344 F775 A776 I778 C792 I794 F823S337-V341 WeakPolarHBondContact O-CG2 3.36Å; S337-V341 PolarHBondContact O-N 2.79Å; V338-V341 PolarHBondContact O-N 2.62Å; M339-V341 VanDerWaalsContact C-N 3.31Å; M339-V341 PolarHBondContact O-N 2.96Å; V341-F343 VanDerWaalsContact C-N 3.31Å; V341-F343 PolarHBondContact O-N 3.04Å; V341-T344 WeakPolarHBondContact O-CB 3.46Å; V341-T344 PolarHBondContact O-N 3.27Å; V341-T344 PolarHBondContact O-OG1 2.86Å; V341-F775 HydrophobicContact CG1-CE2 4.34Å; V341-F775 HydrophobicContact CG1-CZ 4.44Å; V341-A776 HydrophobicContact CG1-CB 3.92Å; V341-A776 HydrophobicContact CG2-CB 4.08Å; V341-I778 HydrophobicContact CG2-CD1 4.23Å; V341-I778 HydrophobicContact CG2-CG1 4.01Å; V341-C792 HydrophobicContact CG2-CB 4Å; V341-I794 HydrophobicContact CG2-CD1 4.07Å; V341-I794 HydrophobicContact CG2-CG1 4.23Å; V341-F823 HydrophobicContact CB-CE2 4.49Å; V341-F823 HydrophobicContact CG1-CB 4.29Å; V341-F823 HydrophobicContact CG1-CD1 3.7Å; V341-F823 HydrophobicContact CG1-CD2 3.73Å; V341-F823 HydrophobicContact CG1-CE1 3.86Å; V341-F823 HydrophobicContact CG1-CE2 3.89Å; V341-F823 HydrophobicContact CG1-CG 3.64Å; V341-F823 HydrophobicContact CG1-CZ 3.94Å; V341-F823 HydrophobicContact CG2-CE2 4.46Å
342L97.6Very high94.5Very high1 Ų114.1 Ų14.11%0.0058%0.083CC..Hα-helixtrans-58.2-40.8-178.2-71.6-178.3000112.8V338 M339 T344 V345 F348 L438 F441 F459V338-L342 HydrophobicContact CG1-CD1 3.84Å; V338-L342 HydrophobicContact CG1-CG 4.18Å; V338-L342 WeakPolarHBondContact O-CG 3.39Å; V338-L342 PolarHBondContact O-N 3.16Å; M339-L342 HydrophobicContact CE-CD1 4.35Å; M339-L342 PolarHBondContact O-N 2.86Å; M339-L342 HydrophobicContact SD-CD1 4.03Å; L342-T344 PolarHBondContact O-N 2.91Å; L342-T344 VanDerWaalsContact O-N 3.16Å; L342-V345 WeakPolarHBondContact O-CB 3.46Å; L342-V345 PolarHBondContact O-N 2.87Å; L342-F348 HydrophobicContact CD2-CE2 4.35Å; L342-F348 HydrophobicContact CD2-CZ 4.28Å; L342-F348 WeakPolarHBondContact O-CB 3.35Å; L342-L438 HydrophobicContact CD1-CD1 4.14Å; L342-L438 HydrophobicContact CD2-CD1 3.86Å; L342-L438 HydrophobicContact CG-CD1 4.29Å; L342-F441 HydrophobicContact CD1-CD1 3.36Å; L342-F441 HydrophobicContact CD1-CE1 3.59Å; L342-F441 HydrophobicContact CD1-CG 4.44Å; L342-F459 HydrophobicContact CD2-CE2 3.59Å; L342-F459 HydrophobicContact CD2-CZ 3.58Å
343F97.1Very high95.2Very high2 Ų215.1 Ų15.11%0.0099%0.09CC..THydrogen-bonded Turntrans-75.73.8177.8-77.7-66.7000114.6M339 V341 F348 Q349 V353 V375 L378 G379 L382M339-F343 HydrophobicContact CE-CD2 4.03Å; M339-F343 HydrophobicContact CE-CE2 3.43Å; M339-F343 VanDerWaalsContact CE-CE2 3.43Å; M339-F343 HydrophobicContact CE-CZ 4.23Å; M339-F343 WeakPolarHBondContact O-CD2 3.45Å; M339-F343 PolarHBondContact O-N 3.43Å; V341-F343 VanDerWaalsContact C-N 3.31Å; V341-F343 PolarHBondContact O-N 3.04Å; F343-F348 HydrophobicContact CD1-CB 4.42Å; F343-Q349 WeakPolarHBondContact O-CG 3.15Å; F343-Q349 PolarHBondContact O-NE2 3.49Å; F343-V353 HydrophobicContact CD1-CG2 4.31Å; F343-V353 HydrophobicContact CE1-CG2 4.21Å; F343-V375 HydrophobicContact CE1-CG1 4.43Å; F343-V375 HydrophobicContact CZ-CG1 3.78Å; F343-V375 VanDerWaalsContact CZ-O 3.3Å; F343-V375 WeakPolarHBondContact CZ-O 3.26Å; F343-L378 HydrophobicContact CE2-CB 4.26Å; F343-L378 HydrophobicContact CE2-CD2 3.96Å; F343-L378 HydrophobicContact CE2-CG 3.81Å; F343-G379 VanDerWaalsContact CD1-CA 3.5Å; F343-L382 HydrophobicContact CB-CD1 4.22Å; F343-L382 HydrophobicContact CD2-CD1 3.55Å; F343-L382 HydrophobicContact CE2-CD1 4.27Å; F343-L382 HydrophobicContact CG-CD1 4.17Å
344T95.1Very high95.6Very high27 Ų2719.4 Ų19.417%0.16612%0.119CC..THydrogen-bonded Turntrans-91.4-12.5165.167.20000113.5Q340 V341 L342 F775 I794Q340-T344 WeakPolarHBondContact O-CG2 3.44Å; V341-T344 WeakPolarHBondContact O-CB 3.46Å; V341-T344 PolarHBondContact O-N 3.27Å; V341-T344 PolarHBondContact O-OG1 2.86Å; L342-T344 PolarHBondContact O-N 2.91Å; L342-T344 VanDerWaalsContact O-N 3.16Å; T344-F775 WeakPolarHBondContact OG1-CE2 2.96Å; T344-I794 HydrophobicContact CG2-CD1 3.98Å; T344-I794 HydrophobicContact CG2-CG2 3.9Å
345V96Very high95.6Very high0 Ų022.9 Ų22.90%014%0.138CC..SBendtrans-79.5122.8176177.70000109.7L342 D347 F348 Q349 A458 F459 F775L342-V345 WeakPolarHBondContact O-CB 3.46Å; L342-V345 PolarHBondContact O-N 2.87Å; V345-D347 HydrophobicContact CG1-CB 4.15Å; V345-D347 PolarHBondContact O-N 2.91Å; V345-D347 VanDerWaalsContact O-N 3.12Å; V345-F348 HydrophobicContact CB-CD2 4.06Å; V345-F348 HydrophobicContact CG1-CD2 4.1Å; V345-F348 PolarHBondContact O-N 3.43Å; V345-Q349 PolarHBondContact O-N 3.29Å; V345-A458 HydrophobicContact CG1-CB 4.22Å; V345-F459 HydrophobicContact CG2-CE1 4.22Å; V345-F459 HydrophobicContact CG2-CZ 3.78Å; V345-F775 HydrophobicContact CG2-CZ 4.3Å
346P94.8Very high95.4Very high73 Ų7323.5 Ų23.547%0.47414%0.142SC..Hα-helixtrans-55.7-32.6-175.5-28.436000114.6F348 Q349 S350P346-F348 PolarHBondContact O-N 3.32Å; P346-Q349 PolarHBondContact O-N 3.18Å; P346-S350 WeakPolarHBondContact O-CB 3.44Å; P346-S350 PolarHBondContact O-N 2.97Å; P346-S350 PolarHBondContact O-OG 3.44Å
347D94.9Very high95.3Very high31 Ų3127.5 Ų27.517%0.16616%0.163CC..Hα-helixtrans-62.2-41.2177.4-60-108.3000112.3V345 S350 T351 P455 A458 R766V345-D347 HydrophobicContact CG1-CB 4.15Å; V345-D347 PolarHBondContact O-N 2.91Å; V345-D347 VanDerWaalsContact O-N 3.12Å; D347-S350 WeakPolarHBondContact CA-OG 3.37Å; D347-S350 PolarHBondContact O-OG 3.22Å; D347-T351 VanDerWaalsContact O-CB 3.24Å; D347-T351 WeakPolarHBondContact O-CB 3.47Å; D347-T351 PolarHBondContact O-N 3.37Å; D347-T351 PolarHBondContact O-OG1 2.84Å; D347-P455 HydrophobicContact CB-CB 3.86Å; D347-A458 HydrophobicContact CB-CB 4.2Å; D347-R766 IonicContact OD1-CZ 3.2Å; D347-R766 IonicContact OD1-NH1 2.66Å; D347-R766 PolarHBondContact OD1-NH1 3.04Å; D347-R766 IonicContact OD1-NH2 3.36Å; D347-R766 PolarHBondContact OD1-NH2 3.27Å; D347-R766 IonicContact OD2-NH1 2.91Å
348F96.2Very high95Very high0 Ų033.1 Ų33.10%019%0.187CC..Hα-helixtrans-69.2-39.4175-79.6-97000111.3L342 F343 V345 P346 Y352 F441 V445 P455 F459L342-F348 HydrophobicContact CD2-CE2 4.35Å; L342-F348 HydrophobicContact CD2-CZ 4.28Å; L342-F348 WeakPolarHBondContact O-CB 3.35Å; F343-F348 HydrophobicContact CD1-CB 4.42Å; V345-F348 HydrophobicContact CB-CD2 4.06Å; V345-F348 HydrophobicContact CG1-CD2 4.1Å; V345-F348 PolarHBondContact O-N 3.43Å; P346-F348 PolarHBondContact O-N 3.32Å; F348-Y352 HydrophobicContact CD1-CD2 4.14Å; F348-Y352 AromaticContact CD1-CE2 3.98Å; F348-Y352 HydrophobicContact CD1-CE2 3.98Å; F348-Y352 HydrophobicContact CE1-CE2 4.31Å; F348-Y352 PolarHBondContact O-N 2.78Å; F348-F441 AromaticContact CE1-CE1 3.89Å; F348-F441 HydrophobicContact CE1-CE1 3.89Å; F348-V445 HydrophobicContact CE1-CG2 4.21Å; F348-P455 HydrophobicContact CD1-CB 4.34Å; F348-P455 HydrophobicContact CD1-CG 4.22Å; F348-P455 HydrophobicContact CD2-CB 3.76Å; F348-P455 HydrophobicContact CD2-CG 4.46Å; F348-P455 HydrophobicContact CE1-CB 4.35Å; F348-P455 HydrophobicContact CE1-CG 4.05Å; F348-P455 HydrophobicContact CE2-CB 3.73Å; F348-P455 HydrophobicContact CE2-CG 4.27Å; F348-P455 HydrophobicContact CG-CB 4.05Å; F348-P455 HydrophobicContact CG-CG 4.42Å; F348-P455 HydrophobicContact CZ-CB 4.07Å; F348-P455 HydrophobicContact CZ-CG 4.08Å; F348-F459 HydrophobicContact CD2-CE2 4.31Å; F348-F459 HydrophobicContact CE2-CD2 4.19Å; F348-F459 AromaticContact CE2-CE2 3.43Å; F348-F459 HydrophobicContact CE2-CE2 3.43Å; F348-F459 VanDerWaalsContact CE2-CE2 3.43Å; F348-F459 HydrophobicContact CE2-CZ 4.28Å; F348-F459 HydrophobicContact CZ-CE2 4.03Å
349Q95.6Very high94.8Very high63 Ų6334 Ų3429%0.29419%0.191SC..Iπ-helixtrans-64.5-46.5177.5-58.3-177.4-400111.9F343 V345 P346 V353 S354 L383F343-Q349 WeakPolarHBondContact O-CG 3.15Å; F343-Q349 PolarHBondContact O-NE2 3.49Å; V345-Q349 PolarHBondContact O-N 3.29Å; P346-Q349 PolarHBondContact O-N 3.18Å; Q349-V353 CarbonylContact O-C 3.59Å; Q349-V353 WeakPolarHBondContact O-CA 3.28Å; Q349-V353 VanDerWaalsContact O-CB 3.3Å; Q349-V353 WeakPolarHBondContact O-CB 3.19Å; Q349-V353 PolarHBondContact O-N 2.79Å; Q349-S354 PolarHBondContact O-N 2.91Å; Q349-S354 PolarHBondContact O-OG 3.3Å; Q349-L383 HydrophobicContact CB-CD1 4.27Å; Q349-L383 HydrophobicContact CG-CD1 3.64Å
350S94.2Very high94.5Very high55 Ų5534.2 Ų34.239%0.38519%0.192SC..Iπ-helixtrans-66.8-42.1178.956.70000111.7P346 D347 N355P346-S350 WeakPolarHBondContact O-CB 3.44Å; P346-S350 PolarHBondContact O-N 2.97Å; P346-S350 PolarHBondContact O-OG 3.44Å; D347-S350 WeakPolarHBondContact CA-OG 3.37Å; D347-S350 PolarHBondContact O-OG 3.22Å; S350-N355 PolarHBondContact O-ND2 2.94Å
351T93.5Very high94.1Very high19 Ų1938 Ų3812%0.11721%0.213CC..Iπ-helixtrans-67.5-48.6-178.8-57.70000112.1D347 P455D347-T351 VanDerWaalsContact O-CB 3.24Å; D347-T351 WeakPolarHBondContact O-CB 3.47Å; D347-T351 PolarHBondContact O-N 3.37Å; D347-T351 PolarHBondContact O-OG1 2.84Å; T351-P455 HydrophobicContact CG2-CG 4.2Å
352Y95.3Very high93.7Very high2 Ų244.3 Ų44.31%0.00824%0.242CC..Iπ-helixtrans-105.6-28.6-168.6-64.9-67.5000114.8F348 I359 K372 V375 A376 P455F348-Y352 HydrophobicContact CD1-CD2 4.14Å; F348-Y352 AromaticContact CD1-CE2 3.98Å; F348-Y352 HydrophobicContact CD1-CE2 3.98Å; F348-Y352 HydrophobicContact CE1-CE2 4.31Å; F348-Y352 PolarHBondContact O-N 2.78Å; Y352-I359 HydrophobicContact CD1-CD1 4.24Å; Y352-K372 HydrophobicContact CE1-CG 4.49Å; Y352-V375 HydrophobicContact CD1-CB 3.99Å; Y352-V375 HydrophobicContact CD1-CG1 3.66Å; Y352-V375 HydrophobicContact CD2-CG1 3.56Å; Y352-V375 HydrophobicContact CE1-CB 4.1Å; Y352-V375 HydrophobicContact CE1-CG1 3.85Å; Y352-V375 HydrophobicContact CE2-CG1 3.75Å; Y352-V375 HydrophobicContact CG-CB 4.31Å; Y352-V375 HydrophobicContact CG-CG1 3.51Å; Y352-A376 WeakPolarHBondContact O-CA 3.44Å; Y352-A376 WeakPolarHBondContact O-CB 3.39Å; Y352-P455 HydrophobicContact CE2-CG 3.77Å
353V94.6Very high93.4Very high23 Ų2344.3 Ų44.314%0.13924%0.243CC..Iπ-helixtrans-102.1-45.9-173.1-175.40000111.4F343 Q349 N355 I356 G379 Y380 L383F343-V353 HydrophobicContact CD1-CG2 4.31Å; F343-V353 HydrophobicContact CE1-CG2 4.21Å; Q349-V353 CarbonylContact O-C 3.59Å; Q349-V353 WeakPolarHBondContact O-CA 3.28Å; Q349-V353 VanDerWaalsContact O-CB 3.3Å; Q349-V353 WeakPolarHBondContact O-CB 3.19Å; Q349-V353 PolarHBondContact O-N 2.79Å; V353-N355 PolarHBondContact O-N 3.01Å; V353-I356 WeakPolarHBondContact O-CB 3.4Å; V353-I356 VanDerWaalsContact O-CG2 3.27Å; V353-I356 WeakPolarHBondContact O-CG2 3.47Å; V353-I356 PolarHBondContact O-N 2.87Å; V353-G379 VanDerWaalsContact CG2-C 3.47Å; V353-Y380 HydrophobicContact CG1-CD2 4.39Å; V353-L383 HydrophobicContact CB-CD1 4.35Å; V353-L383 HydrophobicContact CG1-CD1 4.28Å; V353-L383 HydrophobicContact CG2-CD1 3.95Å
354S93.3Very high93.1Very high94 Ų9447.2 Ų47.266%0.65726%0.262SS*.Iπ-helixtrans-67.1-28.9177.4-56.10000112.4Q349Q349-S354 PolarHBondContact O-N 2.91Å; Q349-S354 PolarHBondContact O-OG 3.3Å
355N89.6Confident92.8Very high75 Ų7550.6 Ų50.640%0.40129%0.286SS..THydrogen-bonded Turntrans-99.816.9178.2-65.3-38.9000113.5S350 V353 D357 K358 I359S350-N355 PolarHBondContact O-ND2 2.94Å; V353-N355 PolarHBondContact O-N 3.01Å; N355-D357 VanDerWaalsContact C-N 3.28Å; N355-D357 PolarHBondContact O-N 3.31Å; N355-K358 PolarHBondContact O-N 2.95Å; N355-K358 VanDerWaalsContact O-N 3.13Å; N355-I359 WeakPolarHBondContact O-CG1 3.33Å; N355-I359 PolarHBondContact O-N 2.96Å
356I92.8Very high92.6Very high15 Ų1552.2 Ų52.28%0.07730%0.295CS..Hα-helixtrans-55.8-40.5-173.1-173.3161.4000113V353 K358 I359 I360 A376 Y380V353-I356 WeakPolarHBondContact O-CB 3.4Å; V353-I356 VanDerWaalsContact O-CG2 3.27Å; V353-I356 WeakPolarHBondContact O-CG2 3.47Å; V353-I356 PolarHBondContact O-N 2.87Å; I356-K358 PolarHBondContact O-N 3.36Å; I356-I359 PolarHBondContact O-N 2.58Å; I356-I360 HydrophobicContact CD1-CD1 4.31Å; I356-I360 HydrophobicContact CG1-CD1 3.73Å; I356-I360 HydrophobicContact CG1-CG1 4.18Å; I356-I360 VanDerWaalsContact O-CG1 3.29Å; I356-I360 WeakPolarHBondContact O-CG1 3.2Å; I356-I360 PolarHBondContact O-N 3.05Å; I356-A376 HydrophobicContact CD1-CB 4.36Å; I356-A376 HydrophobicContact CG1-CB 4.16Å; I356-Y380 VanDerWaalsContact CD1-CB 3.5Å; I356-Y380 HydrophobicContact CD1-CD2 3.96Å; I356-Y380 HydrophobicContact CD1-CG 3.79Å; I356-Y380 HydrophobicContact CG2-CD2 4.44Å
357D91.7Very high92.5Very high87 Ų8749 Ų4947%0.46527%0.274SS..Hα-helixtrans-61.9-44.8179.7-75.7-45.4000112R59 N355 I359 I360 D361R59-D357 IonicContact CZ-OD1 2.71Å; R59-D357 VanDerWaalsContact CZ-OD1 3.23Å; R59-D357 IonicContact NH1-OD1 2.77Å; R59-D357 PolarHBondContact NH1-OD1 2.83Å; R59-D357 IonicContact NH2-OD1 3.78Å; R59-D357 PolarHBondContact NH2-OD1 2.91Å; N355-D357 VanDerWaalsContact C-N 3.28Å; N355-D357 PolarHBondContact O-N 3.31Å; D357-I359 VanDerWaalsContact C-N 3.33Å; D357-I359 PolarHBondContact O-N 3.32Å; D357-I360 PolarHBondContact O-N 2.86Å; D357-D361 WeakPolarHBondContact O-CB 3.35Å; D357-D361 PolarHBondContact O-N 3.37Å
358K91.8Very high92.3Very high121 Ų12147.7 Ų47.753%0.52627%0.268SS..Hα-helixtrans-61.6-42.9176-177.3179.4177-176.20111.4N355 I356 I360 D361 E362N355-K358 PolarHBondContact O-N 2.95Å; N355-K358 VanDerWaalsContact O-N 3.13Å; I356-K358 PolarHBondContact O-N 3.36Å; K358-I360 PolarHBondContact O-N 3.31Å; K358-D361 PolarHBondContact O-N 3.47Å; K358-E362 WeakPolarHBondContact CE-OE1 3.11Å; K358-E362 IonicContact NZ-OE1 2.64Å; K358-E362 WeakPolarHBondContact O-CB 3.34Å; K358-E362 WeakPolarHBondContact O-CG 3.48Å; K358-E362 PolarHBondContact O-N 2.92Å
359I92.6Very high92Very high17 Ų1750.6 Ų50.69%0.08728%0.281CS..Hα-helixtrans-61.7-45.1178.1-66.6169.6000110.5Y352 N355 I356 D357 D361 E362 A363 K372 A376Y352-I359 HydrophobicContact CD1-CD1 4.24Å; N355-I359 WeakPolarHBondContact O-CG1 3.33Å; N355-I359 PolarHBondContact O-N 2.96Å; I356-I359 PolarHBondContact O-N 2.58Å; D357-I359 VanDerWaalsContact C-N 3.33Å; D357-I359 PolarHBondContact O-N 3.32Å; I359-D361 VanDerWaalsContact C-N 3.32Å; I359-D361 PolarHBondContact O-N 2.84Å; I359-E362 PolarHBondContact O-N 3.12Å; I359-A363 WeakPolarHBondContact O-CB 3.33Å; I359-A363 PolarHBondContact O-N 2.76Å; I359-K372 HydrophobicContact CG2-CB 3.85Å; I359-A376 HydrophobicContact CD1-CB 3.91Å; I359-A376 HydrophobicContact CG2-CB 4.17Å
360I91.9Very high91.9Very high5 Ų549.1 Ų49.13%0.02628%0.275CS..Hα-helixtrans-64.1-38.3178.7-69.9174.3000111.6L31 Y56 R63 I356 D357 K358 A363L31-I360 HydrophobicContact CD1-CG2 3.82Å; L31-I360 HydrophobicContact CD2-CG1 4.33Å; L31-I360 HydrophobicContact CD2-CG2 4.44Å; Y56-I360 HydrophobicContact CD1-CD1 4.45Å; Y56-I360 HydrophobicContact CE1-CD1 3.79Å; R63-I360 PolarHBondContact NH1-O 3.38Å; I356-I360 HydrophobicContact CD1-CD1 4.31Å; I356-I360 HydrophobicContact CG1-CD1 3.73Å; I356-I360 HydrophobicContact CG1-CG1 4.18Å; I356-I360 VanDerWaalsContact O-CG1 3.29Å; I356-I360 WeakPolarHBondContact O-CG1 3.2Å; I356-I360 PolarHBondContact O-N 3.05Å; D357-I360 PolarHBondContact O-N 2.86Å; K358-I360 PolarHBondContact O-N 3.31Å; I360-A363 WeakPolarHBondContact O-CB 3.35Å
361D90Very high91.9Very high88 Ų8847 Ų4747%0.47126%0.259SS..Hα-helixtrans-71.3-35-179.8-69.2-16.7000112.1R63 D357 K358 I359R63-D361 PolarHBondContact NE-O 2.89Å; R63-D361 PolarHBondContact NH2-O 2.98Å; D357-D361 WeakPolarHBondContact O-CB 3.35Å; D357-D361 PolarHBondContact O-N 3.37Å; K358-D361 PolarHBondContact O-N 3.47Å; I359-D361 VanDerWaalsContact C-N 3.32Å; I359-D361 PolarHBondContact O-N 2.84Å
362E89.7Confident92Very high132 Ų13249.9 Ų49.962%0.61727%0.27SS*.Hα-helixtrans-85.3-11.6177.2-68.4176178.900113.7K358 I359K358-E362 WeakPolarHBondContact CE-OE1 3.11Å; K358-E362 IonicContact NZ-OE1 2.64Å; K358-E362 WeakPolarHBondContact O-CB 3.34Å; K358-E362 WeakPolarHBondContact O-CG 3.48Å; K358-E362 PolarHBondContact O-N 2.92Å; I359-E362 PolarHBondContact O-N 3.12Å
363A91.5Very high92Very high2 Ų249.9 Ų49.92%0.01727%0.27CS..  trans-57.9146.3-175.800000112.9R63 I359 I360 P367 T373R63-A363 PolarHBondContact NH1-O 3.45Å; R63-A363 PolarHBondContact NH2-O 2.7Å; I359-A363 WeakPolarHBondContact O-CB 3.33Å; I359-A363 PolarHBondContact O-N 2.76Å; I360-A363 WeakPolarHBondContact O-CB 3.35Å; A363-P367 HydrophobicContact CB-CB 4.28Å; A363-T373 VanDerWaalsContact CB-OG1 3.31Å; A363-T373 WeakPolarHBondContact CB-OG1 3.32Å
364P91.2Very high92.1Very high62 Ų6248.9 Ų48.940%0.40326%0.264SS..  trans-65.9177.4177.329.3-36.1000113D366 D370P364-D366 PolarHBondContact O-N 2.81Å; P364-D370 HydrophobicContact CG-CB 3.72Å
365S88.2Confident92.3Very high98 Ų9844.4 Ų44.469%0.68523%0.233SC*.SBendtrans-59.4-31.2179.357.20000113.7L50 P367L50-S365 WeakPolarHBondContact CD1-O 3.32Å; S365-P367 WeakPolarHBondContact O-CD 3.48Å
366D91.3Very high92.6Very high34 Ų3440.9 Ų40.918%0.18221%0.214CC..  trans-110.990.9170.6-176.1-3.5000109.9R23 L50 P364 T368 Q369R23-D366 IonicContact NH2-OD2 3.86Å; R23-D366 PolarHBondContact NH2-OD2 2.79Å; R23-D366 VanDerWaalsContact NH2-OD2 3.09Å; L50-D366 HydrophobicContact CD1-CB 4.48Å; P364-D366 PolarHBondContact O-N 2.81Å; D366-T368 PolarHBondContact O-N 3.48Å; D366-T368 VanDerWaalsContact OD1-CB 3.32Å; D366-T368 WeakPolarHBondContact OD1-CB 3.4Å; D366-T368 WeakPolarHBondContact OD1-CG2 3.41Å; D366-T368 PolarHBondContact OD1-N 2.88Å; D366-T368 PolarHBondContact OD1-OG1 3.39Å; D366-T368 PolarHBondContact OD2-OG1 3.37Å; D366-Q369 PolarHBondContact O-N 3.43Å; D366-Q369 WeakPolarHBondContact OD2-CG 3.28Å
367P93.5Very high92.8Very high6 Ų640.4 Ų40.44%0.03921%0.211CC..G310 helixtrans-69.8-10.5179.722.8-28.4000113.8A30 L31 F52 A363 S365 Q369 D370 T373 Q374A30-P367 HydrophobicContact CB-CG 3.85Å; L31-P367 HydrophobicContact CD2-CB 3.67Å; L31-P367 HydrophobicContact CD2-CG 3.94Å; F52-P367 HydrophobicContact CE1-CG 4.38Å; A363-P367 HydrophobicContact CB-CB 4.28Å; S365-P367 WeakPolarHBondContact O-CD 3.48Å; P367-Q369 PolarHBondContact O-N 2.86Å; P367-D370 PolarHBondContact O-N 3.25Å; P367-T373 HydrophobicContact CB-CG2 3.86Å; P367-Q374 PolarHBondContact O-NE2 3.41Å
368T90.6Very high93.1Very high4 Ų436.2 Ų36.23%0.02519%0.189CC..G310 helixtrans-71.6-22177.675.10000112.2A30 L50 D366 M414A30-T368 HydrophobicContact CB-CG2 3.63Å; L50-T368 HydrophobicContact CD2-CG2 3.92Å; D366-T368 PolarHBondContact O-N 3.48Å; D366-T368 VanDerWaalsContact OD1-CB 3.32Å; D366-T368 WeakPolarHBondContact OD1-CB 3.4Å; D366-T368 WeakPolarHBondContact OD1-CG2 3.41Å; D366-T368 PolarHBondContact OD1-N 2.88Å; D366-T368 PolarHBondContact OD1-OG1 3.39Å; D366-T368 PolarHBondContact OD2-OG1 3.37Å; T368-M414 HydrophobicContact CG2-SD 4.07Å
369Q89.9Confident93.3Very high61 Ų6130.5 Ų30.529%0.28516%0.164SC..G310 helixtrans-100.71.8179.5-56.8-57.2-60.100112.7D366 P367D366-Q369 PolarHBondContact O-N 3.43Å; D366-Q369 WeakPolarHBondContact OD2-CG 3.28Å; P367-Q369 PolarHBondContact O-N 2.86Å
370D93.7Very high93.5Very high32 Ų3233.5 Ų33.517%0.17118%0.175CC..  trans-93.9123.8-178.6179.754.8000111.8P364 P367 T373 Q374P364-D370 HydrophobicContact CG-CB 3.72Å; P367-D370 PolarHBondContact O-N 3.25Å; D370-T373 PolarHBondContact O-N 3.43Å; D370-T373 WeakPolarHBondContact OD2-CB 3.44Å; D370-T373 PolarHBondContact OD2-N 3.12Å; D370-T373 PolarHBondContact OD2-OG1 2.77Å; D370-Q374 WeakPolarHBondContact O-CG 3.04Å; D370-Q374 PolarHBondContact O-N 3.32Å
371F93.9Very high93.6Very high11 Ų1133.2 Ų33.25%0.04817%0.174CC..Hα-helixtrans-60.8-51-177.1177.9-99.9000111.7T373 Q374 V375 F441 M444 V445 N448F371-T373 VanDerWaalsContact C-N 3.31Å; F371-T373 PolarHBondContact O-N 2.97Å; F371-Q374 PolarHBondContact O-N 3.32Å; F371-V375 HydrophobicContact CD1-CG2 4.2Å; F371-V375 HydrophobicContact CD2-CG2 4.1Å; F371-V375 HydrophobicContact CE1-CG2 3.91Å; F371-V375 HydrophobicContact CE2-CG2 3.8Å; F371-V375 HydrophobicContact CG-CG2 4.31Å; F371-V375 HydrophobicContact CZ-CG2 3.7Å; F371-V375 WeakPolarHBondContact O-CB 3.31Å; F371-V375 WeakPolarHBondContact O-CG2 3.46Å; F371-V375 PolarHBondContact O-N 3.24Å; F371-F441 HydrophobicContact CE2-CD2 4.44Å; F371-F441 AromaticContact CE2-CE2 3.91Å; F371-F441 HydrophobicContact CE2-CE2 3.91Å; F371-F441 AromaticContact CZ-CE2 3.91Å; F371-F441 HydrophobicContact CZ-CE2 3.91Å; F371-F441 HydrophobicContact CZ-CZ 4.27Å; F371-M444 HydrophobicContact CD2-CB 4.5Å; F371-M444 HydrophobicContact CD2-CE 3.74Å; F371-M444 HydrophobicContact CE2-CB 3.71Å; F371-M444 HydrophobicContact CE2-CE 3.85Å; F371-M444 HydrophobicContact CE2-SD 4.28Å; F371-M444 HydrophobicContact CZ-CB 3.94Å; F371-V445 HydrophobicContact CE1-CG2 4.19Å; F371-V445 HydrophobicContact CZ-CG2 3.85Å; F371-N448 HydrophobicContact CD1-CB 3.51Å; F371-N448 VanDerWaalsContact CD1-CG 3.46Å; F371-N448 HydrophobicContact CE1-CB 3.9Å; F371-N448 HydrophobicContact CG-CB 4.34Å
372K94.3Very high93.9Very high78 Ų7829.1 Ų29.134%0.33915%0.152SC..Hα-helixtrans-61.8-42.6-176.6-66.5-178.3-179.6175.50111Y352 I359 A376 N448Y352-K372 HydrophobicContact CE1-CG 4.49Å; I359-K372 HydrophobicContact CG2-CB 3.85Å; K372-A376 WeakPolarHBondContact O-CB 3.37Å; K372-A376 PolarHBondContact O-N 3.45Å; K372-N448 WeakPolarHBondContact CE-O 3.47Å; K372-N448 PolarHBondContact NZ-O 3.01Å
373T95.6Very high94.2Very high2 Ų224.6 Ų24.61%0.01213%0.131CC..Hα-helixtrans-63.7-47.1178.4-590000112.3L31 A363 P367 D370 F371 A376 K377L31-T373 HydrophobicContact CD2-CG2 3.46Å; L31-T373 VanDerWaalsContact CD2-CG2 3.46Å; A363-T373 VanDerWaalsContact CB-OG1 3.31Å; A363-T373 WeakPolarHBondContact CB-OG1 3.32Å; P367-T373 HydrophobicContact CB-CG2 3.86Å; D370-T373 PolarHBondContact O-N 3.43Å; D370-T373 WeakPolarHBondContact OD2-CB 3.44Å; D370-T373 PolarHBondContact OD2-N 3.12Å; D370-T373 PolarHBondContact OD2-OG1 2.77Å; F371-T373 VanDerWaalsContact C-N 3.31Å; F371-T373 PolarHBondContact O-N 2.97Å; T373-A376 PolarHBondContact O-N 2.75Å; T373-K377 VanDerWaalsContact O-CB 3.29Å; T373-K377 WeakPolarHBondContact O-CB 3.5Å; T373-K377 PolarHBondContact O-N 3.25Å
374Q96.9Very high94.3Very high2 Ų226.3 Ų26.31%0.00914%0.143CC..Hα-helixtrans-69.8-34.4-179.2-65.6-50.6-57.300112.7A30 P367 D370 F371 L378 M414 F415 L418A30-Q374 PolarHBondContact O-NE2 2.93Å; P367-Q374 PolarHBondContact O-NE2 3.41Å; D370-Q374 WeakPolarHBondContact O-CG 3.04Å; D370-Q374 PolarHBondContact O-N 3.32Å; F371-Q374 PolarHBondContact O-N 3.32Å; Q374-L378 WeakPolarHBondContact O-CB 3.25Å; Q374-L378 PolarHBondContact O-N 2.95Å; Q374-M414 VanDerWaalsContact OE1-CB 3.25Å; Q374-F415 HydrophobicContact CB-CD2 4.4Å; Q374-L418 HydrophobicContact CB-CD2 3.9Å; Q374-L418 HydrophobicContact CG-CD2 3.71Å
375V97.1Very high94.1Very high0 Ų023.9 Ų23.90%013%0.129CC..Hα-helixtrans-66.7-45.2172.9179.10000110.5F343 Y352 F371 L378 G379 F415 F441F343-V375 HydrophobicContact CE1-CG1 4.43Å; F343-V375 HydrophobicContact CZ-CG1 3.78Å; F343-V375 VanDerWaalsContact CZ-O 3.3Å; F343-V375 WeakPolarHBondContact CZ-O 3.26Å; Y352-V375 HydrophobicContact CD1-CB 3.99Å; Y352-V375 HydrophobicContact CD1-CG1 3.66Å; Y352-V375 HydrophobicContact CD2-CG1 3.56Å; Y352-V375 HydrophobicContact CE1-CB 4.1Å; Y352-V375 HydrophobicContact CE1-CG1 3.85Å; Y352-V375 HydrophobicContact CE2-CG1 3.75Å; Y352-V375 HydrophobicContact CG-CB 4.31Å; Y352-V375 HydrophobicContact CG-CG1 3.51Å; F371-V375 HydrophobicContact CD1-CG2 4.2Å; F371-V375 HydrophobicContact CD2-CG2 4.1Å; F371-V375 HydrophobicContact CE1-CG2 3.91Å; F371-V375 HydrophobicContact CE2-CG2 3.8Å; F371-V375 HydrophobicContact CG-CG2 4.31Å; F371-V375 HydrophobicContact CZ-CG2 3.7Å; F371-V375 WeakPolarHBondContact O-CB 3.31Å; F371-V375 WeakPolarHBondContact O-CG2 3.46Å; F371-V375 PolarHBondContact O-N 3.24Å; V375-L378 PolarHBondContact O-N 2.83Å; V375-G379 PolarHBondContact O-N 3.19Å; V375-F415 HydrophobicContact CG2-CE2 3.93Å; V375-F441 HydrophobicContact CG1-CZ 4.19Å; V375-F441 HydrophobicContact CG2-CE2 4.05Å; V375-F441 HydrophobicContact CG2-CZ 4.03Å
376A96.6Very high94Very high1 Ų122.1 Ų22.11%0.00811%0.111CC..Hα-helixtrans-61.5-45.2176.700000112.3Y352 I356 I359 K372 T373 L378 G379 Y380Y352-A376 WeakPolarHBondContact O-CA 3.44Å; Y352-A376 WeakPolarHBondContact O-CB 3.39Å; I356-A376 HydrophobicContact CD1-CB 4.36Å; I356-A376 HydrophobicContact CG1-CB 4.16Å; I359-A376 HydrophobicContact CD1-CB 3.91Å; I359-A376 HydrophobicContact CG2-CB 4.17Å; K372-A376 WeakPolarHBondContact O-CB 3.37Å; K372-A376 PolarHBondContact O-N 3.45Å; T373-A376 PolarHBondContact O-N 2.75Å; A376-L378 VanDerWaalsContact C-N 3.33Å; A376-L378 PolarHBondContact O-N 2.75Å; A376-G379 PolarHBondContact O-N 3.28Å; A376-Y380 WeakPolarHBondContact O-CB 3.35Å; A376-Y380 PolarHBondContact O-N 3.49Å
377K96.9Very high93.9Very high5 Ų522 Ų222%0.02211%0.108CC..Hα-helixtrans-55.1-47.5173.4169177164175.20111.5E28 C29 S32 F33 T373 G381 M414E28-K377 WeakPolarHBondContact OE1-CE 3.48Å; E28-K377 IonicContact OE1-NZ 3.43Å; E28-K377 PolarHBondContact OE1-NZ 3.43Å; C29-K377 PolarHBondContact O-NZ 3.39Å; S32-K377 VanDerWaalsContact C-CE 3.47Å; S32-K377 WeakPolarHBondContact O-CE 3.45Å; S32-K377 PolarHBondContact O-NZ 3.46Å; S32-K377 VanDerWaalsContact O-NZ 3.08Å; F33-K377 HydrophobicContact CD2-CG 4.38Å; F33-K377 HydrophobicContact CE2-CG 3.94Å; F33-K377 WeakPolarHBondContact CE2-O 3.12Å; F33-K377 HydrophobicContact CZ-CG 4.09Å; T373-K377 VanDerWaalsContact O-CB 3.29Å; T373-K377 WeakPolarHBondContact O-CB 3.5Å; T373-K377 PolarHBondContact O-N 3.25Å; K377-G381 PolarHBondContact O-N 3.01Å; K377-M414 PolarHBondContact NZ-SD 2.81Å; K377-M414 VanDerWaalsContact NZ-SD 3.43Å
378L97.5Very high93.6Very high0 Ų021.9 Ų21.90%011%0.107CC..Hα-helixtrans-62.2-50.7177.8179.158.4000111.6F33 M326 M339 F343 Q374 V375 A376 Y380 G381 L382 I410 P412 F415F33-L378 HydrophobicContact CZ-CD1 4.25Å; M326-L378 HydrophobicContact SD-CD1 4Å; M339-L378 HydrophobicContact CB-CD2 4.1Å; M339-L378 HydrophobicContact CE-CD2 3.84Å; M339-L378 HydrophobicContact CG-CD2 3.96Å; F343-L378 HydrophobicContact CE2-CB 4.26Å; F343-L378 HydrophobicContact CE2-CD2 3.96Å; F343-L378 HydrophobicContact CE2-CG 3.81Å; Q374-L378 WeakPolarHBondContact O-CB 3.25Å; Q374-L378 PolarHBondContact O-N 2.95Å; V375-L378 PolarHBondContact O-N 2.83Å; A376-L378 VanDerWaalsContact C-N 3.33Å; A376-L378 PolarHBondContact O-N 2.75Å; L378-Y380 PolarHBondContact O-N 3.33Å; L378-G381 PolarHBondContact O-N 3.29Å; L378-G381 VanDerWaalsContact O-N 3.16Å; L378-L382 HydrophobicContact CD1-CD1 4.13Å; L378-L382 HydrophobicContact CD1-CG 4.28Å; L378-L382 HydrophobicContact CG-CD1 4.17Å; L378-L382 WeakPolarHBondContact O-CG 3.39Å; L378-L382 PolarHBondContact O-N 2.76Å; L378-I410 HydrophobicContact CD1-CD1 3.66Å; L378-P412 HydrophobicContact CD1-CB 4.04Å; L378-F415 HydrophobicContact CD2-CD1 3.71Å; L378-F415 HydrophobicContact CD2-CD2 3.94Å; L378-F415 HydrophobicContact CD2-CE1 3.71Å; L378-F415 HydrophobicContact CD2-CE2 3.95Å; L378-F415 HydrophobicContact CD2-CG 3.82Å; L378-F415 HydrophobicContact CD2-CZ 3.83Å
379G96.8Very high93.1Very high0 Ų027.9 Ų27.90%013%0.133CC..Hα-helixtrans-60.3-43.7-179.900000113F343 V353 V375 A376 L382 L383F343-G379 VanDerWaalsContact CD1-CA 3.5Å; V353-G379 VanDerWaalsContact CG2-C 3.47Å; V375-G379 PolarHBondContact O-N 3.19Å; A376-G379 PolarHBondContact O-N 3.28Å; G379-L382 PolarHBondContact O-N 2.92Å; G379-L383 WeakPolarHBondContact O-CB 3.41Å; G379-L383 WeakPolarHBondContact O-CG 3.39Å; G379-L383 PolarHBondContact O-N 3.21Å
380Y96.1Very high92.3Very high80 Ų8027.5 Ų27.531%0.31414%0.135SC..Hα-helixtrans-64.5-40.6174.9-175.2-87.5000111.8V353 I356 A376 L378 L382 L383 S384V353-Y380 HydrophobicContact CG1-CD2 4.39Å; I356-Y380 VanDerWaalsContact CD1-CB 3.5Å; I356-Y380 HydrophobicContact CD1-CD2 3.96Å; I356-Y380 HydrophobicContact CD1-CG 3.79Å; I356-Y380 HydrophobicContact CG2-CD2 4.44Å; A376-Y380 WeakPolarHBondContact O-CB 3.35Å; A376-Y380 PolarHBondContact O-N 3.49Å; L378-Y380 PolarHBondContact O-N 3.33Å; Y380-L382 VanDerWaalsContact C-N 3.26Å; Y380-L382 PolarHBondContact O-N 3.2Å; Y380-L383 PolarHBondContact O-N 2.85Å; Y380-S384 WeakPolarHBondContact O-CB 3.31Å; Y380-S384 PolarHBondContact O-N 3.36Å; Y380-S384 PolarHBondContact O-OG 3.21Å
381G95.1Very high90.8Very high0 Ų027.6 Ų27.60%014%0.141CC..Hα-helixtrans-59.5-36.9174.200000113.2T324 K377 L378T324-G381 WeakPolarHBondContact CG2-O 3.49Å; T324-G381 PolarHBondContact OG1-O 3.13Å; K377-G381 PolarHBondContact O-N 3.01Å; L378-G381 PolarHBondContact O-N 3.29Å; L378-G381 VanDerWaalsContact O-N 3.16Å
382L95.9Very high88.8Confident2 Ų232.8 Ų32.81%0.0118%0.176CC..Hα-helixtrans-76.1-38.1178.3-68.2173.6000113.3G322 T324 M326 F343 L378 G379 Y380 I410G322-L382 WeakPolarHBondContact CA-O 3.36Å; G322-L382 PolarHBondContact N-O 2.96Å; T324-L382 HydrophobicContact CG2-CD2 4.5Å; T324-L382 PolarHBondContact OG1-O 3.09Å; M326-L382 HydrophobicContact CE-CD1 4.3Å; M326-L382 HydrophobicContact CE-CD2 4.09Å; M326-L382 HydrophobicContact CG-CD2 3.89Å; M326-L382 HydrophobicContact SD-CD2 4.11Å; F343-L382 HydrophobicContact CB-CD1 4.22Å; F343-L382 HydrophobicContact CD2-CD1 3.55Å; F343-L382 HydrophobicContact CE2-CD1 4.27Å; F343-L382 HydrophobicContact CG-CD1 4.17Å; L378-L382 HydrophobicContact CD1-CD1 4.13Å; L378-L382 HydrophobicContact CD1-CG 4.28Å; L378-L382 HydrophobicContact CG-CD1 4.17Å; L378-L382 WeakPolarHBondContact O-CG 3.39Å; L378-L382 PolarHBondContact O-N 2.76Å; G379-L382 PolarHBondContact O-N 2.92Å; Y380-L382 VanDerWaalsContact C-N 3.26Å; Y380-L382 PolarHBondContact O-N 3.2Å; L382-I410 HydrophobicContact CD2-CD1 3.63Å; L382-I410 HydrophobicContact CD2-CG1 4.45Å; L382-I410 HydrophobicContact CG-CD1 3.88Å
383L95.6Very high86.7Confident36 Ų3633.7 Ų33.719%0.18818%0.184CC..Hα-helixtrans-99.3-24-168.8-62176.9000114.7P321 G322 Q349 V353 G379 Y380 G385P321-L383 WeakPolarHBondContact CA-O 3.4Å; P321-L383 WeakPolarHBondContact CB-O 3.49Å; G322-L383 PolarHBondContact N-O 3.47Å; Q349-L383 HydrophobicContact CB-CD1 4.27Å; Q349-L383 HydrophobicContact CG-CD1 3.64Å; V353-L383 HydrophobicContact CB-CD1 4.35Å; V353-L383 HydrophobicContact CG1-CD1 4.28Å; V353-L383 HydrophobicContact CG2-CD1 3.95Å; G379-L383 WeakPolarHBondContact O-CB 3.41Å; G379-L383 WeakPolarHBondContact O-CG 3.39Å; G379-L383 PolarHBondContact O-N 3.21Å; Y380-L383 PolarHBondContact O-N 2.85Å; L383-G385 VanDerWaalsContact C-N 3.34Å; L383-G385 PolarHBondContact O-N 3.39Å
384S92.9Very high84.3Confident38 Ų3838.8 Ų38.827%0.26622%0.217SC..SBendtrans-67.7-29.7-175.758.60000114.4Y380 E386Y380-S384 WeakPolarHBondContact O-CB 3.31Å; Y380-S384 PolarHBondContact O-N 3.36Å; Y380-S384 PolarHBondContact O-OG 3.21Å; S384-E386 PolarHBondContact O-N 3.35Å; S384-E386 PolarHBondContact OG-N 2.74Å
385G88.3Confident82Confident11 Ų1141.9 Ų41.911%0.11325%0.25CC..SBendtrans79.6-1.6-171.600000114.4L383 Y387 S388L383-G385 VanDerWaalsContact C-N 3.34Å; L383-G385 PolarHBondContact O-N 3.39Å; G385-Y387 PolarHBondContact O-N 3.28Å; G385-S388 PolarHBondContact O-N 2.87Å
386E86.4Confident79.3Confident62 Ų6247.2 Ų47.229%0.2928%0.279SS..THydrogen-bonded Turntrans-59.3-37.5179.5-172.9-177.5139.900112.2S384 K389S384-E386 PolarHBondContact O-N 3.35Å; S384-E386 PolarHBondContact OG-N 2.74Å; E386-K389 VanDerWaalsContact O-CE 3.31Å; E386-K389 WeakPolarHBondContact O-CE 3.35Å
387Y87.9Confident76.7Confident30 Ų3055.8 Ų55.812%0.11832%0.318CS..THydrogen-bonded Turntrans-100.23.6-176.6-50.6-72.5000113.6F33 G385 G409 I410F33-Y387 HydrophobicContact CB-CD1 4.28Å; F33-Y387 HydrophobicContact CB-CE1 3.77Å; F33-Y387 HydrophobicContact CB-CE2 4.23Å; F33-Y387 HydrophobicContact CD2-CD2 4.49Å; F33-Y387 HydrophobicContact CD2-CE2 4.12Å; G385-Y387 PolarHBondContact O-N 3.28Å; Y387-G409 PolarHBondContact O-N 2.91Å; Y387-I410 VanDerWaalsContact CB-CG2 3.48Å; Y387-I410 HydrophobicContact CD1-CG2 4.17Å; Y387-I410 HydrophobicContact CD2-CG2 3.58Å; Y387-I410 HydrophobicContact CE2-CG2 4.4Å; Y387-I410 HydrophobicContact CG-CG2 3.45Å; Y387-I410 VanDerWaalsContact CG-CG2 3.45Å
388S86.8Confident73.9Confident4 Ų464.4 Ų64.43%0.02836%0.363CS..  trans-110.263.1178-1730000109.6F319 G320 L323 G385F319-S388 WeakPolarHBondContact CA-OG 3.33Å; G320-S388 PolarHBondContact N-O 3.24Å; G320-S388 PolarHBondContact N-OG 3.36Å; G320-S388 WeakPolarHBondContact O-CB 3.43Å; G320-S388 PolarHBondContact O-OG 2.95Å; L323-S388 VanDerWaalsContact C-OG 3.27Å; L323-S388 PolarHBondContact O-OG 3.35Å; G385-S388 PolarHBondContact O-N 2.87Å
389K81.3Confident71.3Confident131 Ų13168.2 Ų68.257%0.5740%0.402SS*.  trans-117.6148.7177.1-64176.7-174.4168.80109.6E386 A391E386-K389 VanDerWaalsContact O-CE 3.31Å; E386-K389 WeakPolarHBondContact O-CE 3.35Å; K389-A391 PolarHBondContact O-N 3.26Å
390P72.6Confident68.2Low52 Ų5271.9 Ų71.934%0.33843%0.432SS..BIsolated β-bridgetrans-55136.5169.1-23.133.6000110.5F319 P403F319-P390 HydrophobicContact CD1-CG 4.26Å; F319-P390 HydrophobicContact CD2-CG 4.19Å; F319-P390 HydrophobicContact CE1-CB 4.36Å; F319-P390 HydrophobicContact CE1-CG 4.22Å; F319-P390 HydrophobicContact CE2-CG 4.16Å; F319-P390 HydrophobicContact CG-CG 4.23Å; F319-P390 HydrophobicContact CZ-CB 4.3Å; F319-P390 HydrophobicContact CZ-CG 4.18Å; P390-P403 HydrophobicContact CB-CB 3.48Å; P390-P403 VanDerWaalsContact CB-CB 3.48Å; P390-P403 HydrophobicContact CG-CB 3.4Å; P390-P403 HydrophobicContact CG-CG 3.94Å
391A61.8Low65.5Low35 Ų3573.4 Ų73.429%0.28946%0.455SS..PPolyproline II helixtrans-60130.6170.500000109.1K389 D393 D406K389-A391 PolarHBondContact O-N 3.26Å; A391-D393 PolarHBondContact O-N 2.97Å; A391-D406 WeakPolarHBondContact CB-O 3.32Å
392P53.7Low62.9Low120 Ų12081 Ų8178%0.77949%0.49SS*.PPolyproline II helixtrans-67.4121173.625.1-30000109.2
393D49.6Very low60.5Low96 Ų9684.5 Ų84.551%0.51351%0.513SS..PPolyproline II helixtrans-68129.1176.1-132.4-14.5000108.9A391 G395A391-D393 PolarHBondContact O-N 2.97Å; D393-G395 PolarHBondContact O-N 3.19Å
394P44.8Very low58Low109 Ų10993 Ų9371%0.70854%0.543SS*.THydrogen-bonded Turntrans-77.468.9178.131.6-32.1000109.7
395G48.6Very low56Low67 Ų6792.7 Ų92.769%0.69155%0.545SS*.THydrogen-bonded Turntrans170.4-17.9178.300000117D393 E397D393-G395 PolarHBondContact O-N 3.19Å; G395-E397 PolarHBondContact O-N 2.63Å
396D40.9Very low54.8Low113 Ų11396.1 Ų96.160%0.60456%0.561SS**  trans-86.4112.1-174.9-92.9-9.7000112.4
397E40.4Very low54.3Low181 Ų18193.6 Ų93.685%0.84655%0.549SS*.  trans-55.5137.7159.2-70.8-172.7160.500109.6G395 G399G395-E397 PolarHBondContact O-N 2.63Å; E397-G399 PolarHBondContact O-N 2.9Å
398I39Very low53.7Low185 Ų18596.1 Ų96.195%0.94957%0.568SS**THydrogen-bonded Turntrans-45.1105.2-179.8-57.8165.8000110.5
399G42Very low53.7Low81 Ų8196.3 Ų96.384%0.83557%0.57SS**THydrogen-bonded Turntrans1496.3167.600000120.6E397E397-G399 PolarHBondContact O-N 2.9Å
400A31.5Very low54.2Low76 Ų7690.1 Ų90.163%0.62854%0.544SS*.  trans-94.1136.6174.200000112.9
401S40.8Very low55.1Low113 Ų11388.4 Ų88.479%0.7953%0.533SS*.SBendtrans-74.7134.3-174.950.50000113.7
402E40.5Very low56.6Low159 Ų15986.7 Ų86.774%0.74352%0.52SS*.SBendtrans79.1118.7179.3-58-153.6152.800116.5R404E402-R404 PolarHBondContact O-N 2.93Å; E402-R404 VanDerWaalsContact O-N 3.08Å
403P44.8Very low58.3Low76 Ų7683.1 Ų83.149%0.49449%0.491SS..  trans-63.1112.1176.421.9-28.1000110.8F319 P390F319-P403 HydrophobicContact CE2-CB 4.39Å; F319-P403 HydrophobicContact CE2-CG 4.1Å; P390-P403 HydrophobicContact CB-CB 3.48Å; P390-P403 VanDerWaalsContact CB-CB 3.48Å; P390-P403 HydrophobicContact CG-CB 3.4Å; P390-P403 HydrophobicContact CG-CG 3.94Å
404R42.8Very low60.2Low214 Ų21479.3 Ų79.381%0.80847%0.47SS*.  trans-94.7112.9169.1-72.3-179.4174.9-177-1108.4E402E402-R404 PolarHBondContact O-N 2.93Å; E402-R404 VanDerWaalsContact O-N 3.08Å
405G51.9Low62.6Low31 Ų3174.3 Ų74.332%0.3244%0.437SS..SBendtrans153.3142173.100000113F319F319-G405 WeakPolarHBondContact CZ-O 3.48Å
406D62Low64.7Low84 Ų8471.7 Ų71.745%0.44941%0.407SS..  trans-65.5145.8169.8-72.7-23.7000109.5A391 K807A391-D406 WeakPolarHBondContact CB-O 3.32Å; D406-K807 WeakPolarHBondContact OD2-CE 3.41Å
407Q76.5Confident66.9Low8 Ų868.4 Ų68.44%0.03740%0.395CS..BIsolated β-bridgetrans-67.1147172.758.7178.6-69.300110.9F319 L323 T324 G325 G409 Q806 V808F319-Q407 HydrophobicContact CD1-CB 4.15Å; F319-Q407 HydrophobicContact CE1-CB 3.93Å; L323-Q407 PolarHBondContact O-NE2 2.77Å; L323-Q407 PolarHBondContact O-OE1 3.3Å; T324-Q407 VanDerWaalsContact CA-OE1 3.26Å; G325-Q407 VanDerWaalsContact N-CD 3.27Å; Q407-G409 VanDerWaalsContact C-N 3.26Å; Q407-G409 PolarHBondContact O-N 2.8Å; Q407-Q806 VanDerWaalsContact CG-O 3.29Å; Q407-Q806 WeakPolarHBondContact CG-O 3.44Å; Q407-V808 VanDerWaalsContact NE2-CG2 3.28Å
408V75.1Confident69.4Low83 Ų8360.8 Ų60.850%0.50336%0.36SS..  trans-64.3-35.7173.6-177.60000110.7K327K327-V408 WeakPolarHBondContact CE-O 3.18Å
409G86.7Confident72Confident8 Ų852.1 Ų52.18%0.08232%0.315CS..  trans65.1-162.6179.800000113.4G325 Y387 Q407G325-G409 CarbonylContact O-C 3.53Å; G325-G409 WeakPolarHBondContact O-CA 3.07Å; Y387-G409 PolarHBondContact O-N 2.91Å; Q407-G409 VanDerWaalsContact C-N 3.26Å; Q407-G409 PolarHBondContact O-N 2.8Å
410I92.5Very high74.2Confident2 Ų248.3 Ų48.31%0.0128%0.276CS..BIsolated β-bridgetrans-116.3149.9179.162.5178.4000111.6F33 T324 G325 M326 K327 L378 L382 Y387 P412F33-I410 HydrophobicContact CB-CG2 4.26Å; F33-I410 HydrophobicContact CD1-CB 4.18Å; F33-I410 HydrophobicContact CD2-CB 3.95Å; F33-I410 HydrophobicContact CD2-CD1 4.43Å; F33-I410 HydrophobicContact CD2-CG2 3.64Å; F33-I410 HydrophobicContact CE1-CB 4.3Å; F33-I410 HydrophobicContact CE2-CB 4.08Å; F33-I410 HydrophobicContact CE2-CD1 3.81Å; F33-I410 HydrophobicContact CE2-CG1 4.48Å; F33-I410 HydrophobicContact CE2-CG2 4.1Å; F33-I410 HydrophobicContact CG-CB 4Å; F33-I410 HydrophobicContact CG-CG2 3.91Å; F33-I410 HydrophobicContact CZ-CB 4.25Å; F33-I410 HydrophobicContact CZ-CD1 4.03Å; T324-I410 HydrophobicContact CG2-CD1 4.45Å; T324-I410 HydrophobicContact CG2-CG1 4.2Å; T324-I410 HydrophobicContact CG2-CG2 3.87Å; G325-I410 PolarHBondContact O-N 3.41Å; M326-I410 CarbonylContact C-O 3.58Å; M326-I410 WeakPolarHBondContact CA-O 3.2Å; M326-I410 HydrophobicContact CG-CD1 3.98Å; M326-I410 HydrophobicContact CG-CG1 3.7Å; M326-I410 HydrophobicContact SD-CD1 4.46Å; K327-I410 WeakPolarHBondContact CG-O 3.45Å; K327-I410 PolarHBondContact N-O 2.99Å; L378-I410 HydrophobicContact CD1-CD1 3.66Å; L382-I410 HydrophobicContact CD2-CD1 3.63Å; L382-I410 HydrophobicContact CD2-CG1 4.45Å; L382-I410 HydrophobicContact CG-CD1 3.88Å; Y387-I410 VanDerWaalsContact CB-CG2 3.48Å; Y387-I410 HydrophobicContact CD1-CG2 4.17Å; Y387-I410 HydrophobicContact CD2-CG2 3.58Å; Y387-I410 HydrophobicContact CE2-CG2 4.4Å; Y387-I410 HydrophobicContact CG-CG2 3.45Å; Y387-I410 VanDerWaalsContact CG-CG2 3.45Å; I410-P412 WeakPolarHBondContact O-CD 3.13Å
411A91Very high76.8Confident15 Ų1553 Ų5312%0.12428%0.278CS..  trans-111.799.9174.900000109.8F33 K327 L329 R413F33-A411 WeakPolarHBondContact CE1-O 3.3Å; K327-A411 HydrophobicContact CB-CB 4.16Å; K327-A411 HydrophobicContact CD-CB 4.19Å; K327-A411 HydrophobicContact CG-CB 4.15Å; L329-A411 HydrophobicContact CD2-CB 4.24Å; A411-R413 HydrophobicContact CB-CG 4.4Å; A411-R413 PolarHBondContact O-N 3.37Å
412P93.2Very high78.5Confident0 Ų051.4 Ų51.40%028%0.279CS..  trans-77.749-173.133.1-37.2000113.5M326 L329 L335 L378 I410 F415 K416M326-P412 HydrophobicContact SD-CG 4.19Å; L329-P412 HydrophobicContact CD1-CG 4.17Å; L335-P412 HydrophobicContact CD2-CG 4.2Å; L378-P412 HydrophobicContact CD1-CB 4.04Å; I410-P412 WeakPolarHBondContact O-CD 3.13Å; P412-F415 HydrophobicContact CB-CB 4.22Å; P412-F415 HydrophobicContact CB-CD1 4.48Å; P412-F415 PolarHBondContact O-N 3.44Å; P412-K416 WeakPolarHBondContact O-CB 3.44Å; P412-K416 PolarHBondContact O-N 2.95Å
413R88.5Confident80.6Confident45 Ų4545.7 Ų45.717%0.1725%0.252CS..Hα-helixtrans-64.8-50-174.5-65.7179.1-174.2-82.9-4112.1Q166 L329 A411 F415 K416 A417Q166-R413 VanDerWaalsContact NE2-NH1 3.16Å; L329-R413 HydrophobicContact CD1-CB 4.36Å; L329-R413 HydrophobicContact CD1-CG 3.81Å; L329-R413 HydrophobicContact CD2-CG 3.74Å; L329-R413 HydrophobicContact CG-CG 4.43Å; A411-R413 HydrophobicContact CB-CG 4.4Å; A411-R413 PolarHBondContact O-N 3.37Å; R413-F415 VanDerWaalsContact C-N 3.31Å; R413-F415 PolarHBondContact O-N 3.2Å; R413-K416 PolarHBondContact O-N 3.43Å; R413-A417 WeakPolarHBondContact O-CB 3.42Å; R413-A417 PolarHBondContact O-N 3.13Å
414M90.7Very high82.1Confident16 Ų1646.8 Ų46.88%0.07926%0.259CS..Hα-helixtrans-61.9-42.2178.6-65.1-168.8-16500111.5E28 C29 T368 Q374 K377 A417 L418E28-M414 HydrophobicContact CB-CE 3.69Å; E28-M414 HydrophobicContact CG-CE 3.82Å; E28-M414 WeakPolarHBondContact O-CE 3.44Å; C29-M414 WeakPolarHBondContact O-CE 3.23Å; T368-M414 HydrophobicContact CG2-SD 4.07Å; Q374-M414 VanDerWaalsContact OE1-CB 3.25Å; K377-M414 PolarHBondContact NZ-SD 2.81Å; K377-M414 VanDerWaalsContact NZ-SD 3.43Å; M414-A417 PolarHBondContact O-N 3.5Å; M414-L418 WeakPolarHBondContact O-CB 3.48Å; M414-L418 PolarHBondContact O-N 3.01Å
415F95Very high83.8Confident3 Ų339.9 Ų39.91%0.01324%0.236CC..Hα-helixtrans-61.5-52.8176.5174.9-96.6000111.5L335 M339 Q374 V375 L378 P412 R413 A417 L418 V419 F437 F441L335-F415 HydrophobicContact CD1-CD1 4.11Å; L335-F415 HydrophobicContact CD1-CE1 3.97Å; L335-F415 HydrophobicContact CD2-CD1 4.24Å; L335-F415 HydrophobicContact CD2-CE1 4.16Å; L335-F415 HydrophobicContact CG-CE1 4.14Å; M339-F415 HydrophobicContact CE-CE1 4.48Å; M339-F415 HydrophobicContact CE-CE2 4.46Å; M339-F415 HydrophobicContact CE-CZ 3.83Å; M339-F415 HydrophobicContact CG-CE1 3.93Å; M339-F415 HydrophobicContact CG-CZ 4.19Å; M339-F415 HydrophobicContact SD-CE1 4.14Å; M339-F415 HydrophobicContact SD-CZ 3.83Å; Q374-F415 HydrophobicContact CB-CD2 4.4Å; V375-F415 HydrophobicContact CG2-CE2 3.93Å; L378-F415 HydrophobicContact CD2-CD1 3.71Å; L378-F415 HydrophobicContact CD2-CD2 3.94Å; L378-F415 HydrophobicContact CD2-CE1 3.71Å; L378-F415 HydrophobicContact CD2-CE2 3.95Å; L378-F415 HydrophobicContact CD2-CG 3.82Å; L378-F415 HydrophobicContact CD2-CZ 3.83Å; P412-F415 HydrophobicContact CB-CB 4.22Å; P412-F415 HydrophobicContact CB-CD1 4.48Å; P412-F415 PolarHBondContact O-N 3.44Å; R413-F415 VanDerWaalsContact C-N 3.31Å; R413-F415 PolarHBondContact O-N 3.2Å; F415-A417 VanDerWaalsContact C-N 3.32Å; F415-A417 PolarHBondContact O-N 2.95Å; F415-L418 PolarHBondContact O-N 3.49Å; F415-L418 VanDerWaalsContact O-N 3.11Å; F415-V419 HydrophobicContact CD1-CG2 4.39Å; F415-V419 HydrophobicContact CD2-CG1 4.1Å; F415-V419 HydrophobicContact CE1-CG1 4.11Å; F415-V419 HydrophobicContact CE1-CG2 4.09Å; F415-V419 HydrophobicContact CE2-CG1 3.62Å; F415-V419 HydrophobicContact CZ-CG1 3.64Å; F415-V419 HydrophobicContact CZ-CG2 4.41Å; F415-V419 WeakPolarHBondContact O-CG2 3.4Å; F415-V419 PolarHBondContact O-N 3.16Å; F415-F437 HydrophobicContact CE1-CZ 4.41Å; F415-F441 AromaticContact CE2-CE2 3.82Å; F415-F441 HydrophobicContact CE2-CE2 3.82Å; F415-F441 HydrophobicContact CE2-CZ 4.48Å; F415-F441 HydrophobicContact CZ-CD2 4.09Å; F415-F441 AromaticContact CZ-CE2 3.62Å; F415-F441 HydrophobicContact CZ-CE2 3.62Å; F415-F441 HydrophobicContact CZ-CZ 4.35Å
416K92Very high85.5Confident13 Ų1338.6 Ų38.66%0.05722%0.222CC..Hα-helixtrans-55-47.5178-175.2-172.1179.6-165.90111.2L329 L335 P412 R413 L418 V419 G420 N429L329-K416 HydrophobicContact CB-CD 4.41Å; L329-K416 HydrophobicContact CD1-CB 4.39Å; L329-K416 HydrophobicContact CD1-CD 4.25Å; L335-K416 HydrophobicContact CD1-CB 4.01Å; L335-K416 HydrophobicContact CD1-CG 4Å; P412-K416 WeakPolarHBondContact O-CB 3.44Å; P412-K416 PolarHBondContact O-N 2.95Å; R413-K416 PolarHBondContact O-N 3.43Å; K416-L418 VanDerWaalsContact C-N 3.29Å; K416-L418 PolarHBondContact O-N 3.04Å; K416-V419 PolarHBondContact O-N 3.2Å; K416-G420 PolarHBondContact O-N 2.87Å; K416-N429 PolarHBondContact NZ-OD1 3.41Å
417A88.6Confident86.3Confident43 Ų4338 Ų3836%0.35522%0.224SC..Hα-helixtrans-61.6-37.6179.800000112.4L162 R413 M414 F415 R421L162-A417 HydrophobicContact CD1-CB 4.13Å; L162-A417 HydrophobicContact CD2-CB 4.32Å; R413-A417 WeakPolarHBondContact O-CB 3.42Å; R413-A417 PolarHBondContact O-N 3.13Å; M414-A417 PolarHBondContact O-N 3.5Å; F415-A417 VanDerWaalsContact C-N 3.32Å; F415-A417 PolarHBondContact O-N 2.95Å; A417-R421 WeakPolarHBondContact O-CB 3.27Å; A417-R421 PolarHBondContact O-N 2.85Å
418L92.2Very high86.1Confident21 Ų2139.4 Ų39.411%0.1123%0.233CC..Hα-helixtrans-72.1-49.5178.6-177.362000112.2Q374 M414 F415 K416 G420 R421Q374-L418 HydrophobicContact CB-CD2 3.9Å; Q374-L418 HydrophobicContact CG-CD2 3.71Å; M414-L418 WeakPolarHBondContact O-CB 3.48Å; M414-L418 PolarHBondContact O-N 3.01Å; F415-L418 PolarHBondContact O-N 3.49Å; F415-L418 VanDerWaalsContact O-N 3.11Å; K416-L418 VanDerWaalsContact C-N 3.29Å; K416-L418 PolarHBondContact O-N 3.04Å; L418-G420 VanDerWaalsContact C-N 3.29Å; L418-G420 PolarHBondContact O-N 2.99Å; L418-R421 WeakPolarHBondContact O-CB 3.11Å; L418-R421 PolarHBondContact O-N 3.46Å
419V93.1Very high85.8Confident3 Ų337 Ų372%0.01822%0.217CC..Hα-helixtrans-70.8-26.7-177.9-58.10000112.6L335 F415 K416 F437 H440 F441 M444L335-V419 HydrophobicContact CD1-CG2 4.34Å; F415-V419 HydrophobicContact CD1-CG2 4.39Å; F415-V419 HydrophobicContact CD2-CG1 4.1Å; F415-V419 HydrophobicContact CE1-CG1 4.11Å; F415-V419 HydrophobicContact CE1-CG2 4.09Å; F415-V419 HydrophobicContact CE2-CG1 3.62Å; F415-V419 HydrophobicContact CZ-CG1 3.64Å; F415-V419 HydrophobicContact CZ-CG2 4.41Å; F415-V419 WeakPolarHBondContact O-CG2 3.4Å; F415-V419 PolarHBondContact O-N 3.16Å; K416-V419 PolarHBondContact O-N 3.2Å; V419-F437 HydrophobicContact CG2-CE2 4.01Å; V419-F437 HydrophobicContact CG2-CZ 4.25Å; V419-H440 PolarHBondContact O-NE2 3.2Å; V419-F441 HydrophobicContact CG1-CD2 4.39Å; V419-F441 HydrophobicContact CG1-CE2 4.45Å; V419-M444 HydrophobicContact CB-CE 4.41Å; V419-M444 HydrophobicContact CB-SD 3.88Å; V419-M444 HydrophobicContact CG1-CE 4.32Å; V419-M444 HydrophobicContact CG1-SD 4.1Å
420G88.3Confident84.8Confident1 Ų144.4 Ų44.41%0.0124%0.243CC..Hα-helixtrans-82.7-13174.600000114.5K416 L418 G422 H423 F426 S427K416-G420 PolarHBondContact O-N 2.87Å; L418-G420 VanDerWaalsContact C-N 3.29Å; L418-G420 PolarHBondContact O-N 2.99Å; G420-G422 PolarHBondContact O-N 3.07Å; G420-H423 WeakPolarHBondContact O-CB 3.25Å; G420-H423 PolarHBondContact O-N 2.64Å; G420-F426 WeakPolarHBondContact CA-O 3.3Å; G420-S427 WeakPolarHBondContact O-CA 3.32Å; G420-S427 VanDerWaalsContact O-CB 3.25Å; G420-S427 WeakPolarHBondContact O-CB 3.47Å; G420-S427 PolarHBondContact O-N 2.82Å
421R87.3Confident83.8Confident175 Ų17547.6 Ų47.666%0.6626%0.258SS*.THydrogen-bonded Turntrans-60122.1-171.3-174.4176176.2-175-7.3111.6A417 L418 H423A417-R421 WeakPolarHBondContact O-CB 3.27Å; A417-R421 PolarHBondContact O-N 2.85Å; L418-R421 WeakPolarHBondContact O-CB 3.11Å; L418-R421 PolarHBondContact O-N 3.46Å; R421-H423 PolarHBondContact O-N 3.13Å
422G76.9Confident83.4Confident79 Ų7948 Ų4881%0.81426%0.257SS*.THydrogen-bonded Turntrans77.4-3.7179.400000114.6G420G420-G422 PolarHBondContact O-N 3.07Å
423H83.4Confident83.3Confident40 Ų4049.7 Ų49.719%0.18527%0.266CS..  trans-87.4129.3176.2-164.5-75.2000110.4G420 R421 E425 F426 S427 H440G420-H423 WeakPolarHBondContact O-CB 3.25Å; G420-H423 PolarHBondContact O-N 2.64Å; R421-H423 PolarHBondContact O-N 3.13Å; H423-E425 VanDerWaalsContact C-N 3.3Å; H423-E425 PolarHBondContact ND1-N 2.76Å; H423-E425 VanDerWaalsContact ND1-N 3.13Å; H423-E425 PolarHBondContact O-N 2.79Å; H423-F426 HydrophobicContact CB-CB 4.2Å; H423-F426 HydrophobicContact CB-CD2 4.27Å; H423-F426 AromaticContact CD2-CD2 3.66Å; H423-F426 AromaticContact CE1-CD2 3.39Å; H423-F426 WeakPolarHBondContact CE1-CD2 3.26Å; H423-F426 AromaticContact CE1-CE2 3.44Å; H423-F426 VanDerWaalsContact CE1-CE2 3.44Å; H423-F426 WeakPolarHBondContact CE1-CE2 3.34Å; H423-F426 AromaticContact CG-CD2 3.49Å; H423-F426 VanDerWaalsContact CG-CD2 3.49Å; H423-F426 AromaticContact ND1-CD2 3.33Å; H423-F426 VanDerWaalsContact ND1-CD2 3.33Å; H423-F426 WeakPolarHBondContact ND1-CD2 3.45Å; H423-F426 AromaticContact ND1-CE2 3.88Å; H423-F426 AromaticContact ND1-CG 3.95Å; H423-F426 PolarHBondContact ND1-N 2.85Å; H423-F426 AromaticContact NE2-CD2 3.6Å; H423-F426 AromaticContact NE2-CE2 3.56Å; H423-S427 WeakPolarHBondContact O-CB 3.42Å; H423-S427 PolarHBondContact O-N 2.73Å; H423-S427 VanDerWaalsContact O-N 3.15Å; H423-S427 PolarHBondContact O-OG 3.29Å; H423-H440 AromaticContact CD2-CE1 3.61Å; H423-H440 AromaticContact CD2-ND1 3.63Å
424P76.6Confident83.6Confident98 Ų9847.6 Ų47.664%0.63626%0.258SS*.THydrogen-bonded Turntrans-58.6-40.8-176.922.1-33.1000112.5T428P424-T428 VanDerWaalsContact O-CG2 3.3Å; P424-T428 WeakPolarHBondContact O-CG2 3.4Å
425E79.3Confident83.8Confident70 Ų7048.1 Ų48.133%0.32726%0.261SS..THydrogen-bonded Turntrans-84.1-59.5179.6-63.9-55150.800113.9H423 S427 T428 Q432H423-E425 VanDerWaalsContact C-N 3.3Å; H423-E425 PolarHBondContact ND1-N 2.76Å; H423-E425 VanDerWaalsContact ND1-N 3.13Å; H423-E425 PolarHBondContact O-N 2.79Å; E425-S427 VanDerWaalsContact C-N 3.27Å; E425-S427 PolarHBondContact O-N 3.29Å; E425-T428 WeakPolarHBondContact O-CB 3.38Å; E425-T428 PolarHBondContact O-N 3.3Å; E425-T428 PolarHBondContact O-OG1 3.17Å; E425-Q432 PolarHBondContact O-NE2 3.43Å; E425-Q432 PolarHBondContact OE2-NE2 2.94Å; E425-Q432 PolarHBondContact OE2-OE1 3.45Å
426F86.8Confident83.9Confident3 Ų351.8 Ų51.81%0.01328%0.278CS..THydrogen-bonded Turntrans-71.7-12.4-172.7-55-56.4000115.5Y334 G420 H423 Q432 E436 F437 H440Y334-F426 AromaticContact CE2-CD1 3.81Å; Y334-F426 HydrophobicContact CE2-CD1 3.81Å; Y334-F426 HydrophobicContact CE2-CE1 4Å; G420-F426 WeakPolarHBondContact CA-O 3.3Å; H423-F426 HydrophobicContact CB-CB 4.2Å; H423-F426 HydrophobicContact CB-CD2 4.27Å; H423-F426 AromaticContact CD2-CD2 3.66Å; H423-F426 AromaticContact CE1-CD2 3.39Å; H423-F426 WeakPolarHBondContact CE1-CD2 3.26Å; H423-F426 AromaticContact CE1-CE2 3.44Å; H423-F426 VanDerWaalsContact CE1-CE2 3.44Å; H423-F426 WeakPolarHBondContact CE1-CE2 3.34Å; H423-F426 AromaticContact CG-CD2 3.49Å; H423-F426 VanDerWaalsContact CG-CD2 3.49Å; H423-F426 AromaticContact ND1-CD2 3.33Å; H423-F426 VanDerWaalsContact ND1-CD2 3.33Å; H423-F426 WeakPolarHBondContact ND1-CD2 3.45Å; H423-F426 AromaticContact ND1-CE2 3.88Å; H423-F426 AromaticContact ND1-CG 3.95Å; H423-F426 PolarHBondContact ND1-N 2.85Å; H423-F426 AromaticContact NE2-CD2 3.6Å; H423-F426 AromaticContact NE2-CE2 3.56Å; F426-Q432 HydrophobicContact CD1-CB 4.24Å; F426-Q432 HydrophobicContact CD1-CG 4.04Å; F426-Q432 HydrophobicContact CE1-CB 3.85Å; F426-Q432 HydrophobicContact CE1-CG 4.11Å; F426-E436 HydrophobicContact CE2-CG 4.45Å; F426-E436 HydrophobicContact CZ-CB 4.26Å; F426-E436 HydrophobicContact CZ-CG 3.93Å; F426-F437 AromaticContact CD1-CD2 3.79Å; F426-F437 HydrophobicContact CD1-CD2 3.79Å; F426-F437 HydrophobicContact CE1-CB 3.74Å; F426-F437 AromaticContact CE1-CD2 3.77Å; F426-F437 HydrophobicContact CE1-CD2 3.77Å; F426-F437 HydrophobicContact CE1-CG 4.24Å; F426-F437 HydrophobicContact CG-CD2 4.2Å; F426-F437 HydrophobicContact CZ-CB 3.91Å; F426-F437 HydrophobicContact CZ-CD2 4.16Å; F426-H440 HydrophobicContact CD2-CB 4.23Å; F426-H440 AromaticContact CD2-CD2 3.47Å; F426-H440 VanDerWaalsContact CD2-CD2 3.47Å; F426-H440 WeakPolarHBondContact CD2-CD2 3.47Å; F426-H440 AromaticContact CD2-CG 3.76Å; F426-H440 AromaticContact CD2-NE2 3.9Å; F426-H440 HydrophobicContact CE2-CB 3.6Å; F426-H440 AromaticContact CE2-CD2 3.77Å; F426-H440 AromaticContact CE2-CG 3.65Å; F426-H440 HydrophobicContact CZ-CB 4.36Å
427S78.4Confident84.1Confident72 Ų7251.2 Ų51.250%0.50328%0.276SS..THydrogen-bonded Turntrans-72.6-20.6168.563.70000112.7G420 H423 E425G420-S427 WeakPolarHBondContact O-CA 3.32Å; G420-S427 VanDerWaalsContact O-CB 3.25Å; G420-S427 WeakPolarHBondContact O-CB 3.47Å; G420-S427 PolarHBondContact O-N 2.82Å; H423-S427 WeakPolarHBondContact O-CB 3.42Å; H423-S427 PolarHBondContact O-N 2.73Å; H423-S427 VanDerWaalsContact O-N 3.15Å; H423-S427 PolarHBondContact O-OG 3.29Å; E425-S427 VanDerWaalsContact C-N 3.27Å; E425-S427 PolarHBondContact O-N 3.29Å
428T73Confident84.5Confident37 Ų3749.2 Ų49.223%0.22726%0.259CS..SBendtrans-84.7171.7-179.876.80000111.9P424 E425 R430P424-T428 VanDerWaalsContact O-CG2 3.3Å; P424-T428 WeakPolarHBondContact O-CG2 3.4Å; E425-T428 WeakPolarHBondContact O-CB 3.38Å; E425-T428 PolarHBondContact O-N 3.3Å; E425-T428 PolarHBondContact O-OG1 3.17Å; T428-R430 PolarHBondContact OG1-N 3.06Å
429N68.7Low84.7Confident32 Ų3250.6 Ų50.617%0.17127%0.266CS..SBendtrans-102.321.9172.3-61.4-55000112.4Q165 Q166 N331 K416Q165-N429 VanDerWaalsContact C-ND2 3.34Å; Q165-N429 PolarHBondContact O-ND2 3.45Å; Q166-N429 VanDerWaalsContact CA-ND2 3.33Å; Q166-N429 WeakPolarHBondContact CA-ND2 3.49Å; Q166-N429 PolarHBondContact N-ND2 2.94Å; N331-N429 WeakPolarHBondContact CB-O 3.37Å; N331-N429 PolarHBondContact ND2-O 2.99Å; K416-N429 PolarHBondContact NZ-OD1 3.41Å
430R65.5Low84.8Confident164 Ų16451.9 Ų51.962%0.61927%0.272SS*.SBendtrans-77.8163.9176-64.3-179.8175.7-178.8-3.7111.4T428T428-R430 PolarHBondContact OG1-N 3.06Å
431Q71.7Confident85.2Confident70 Ų7051.8 Ų51.833%0.32727%0.271SS..  trans-69.3143.2168.9-63.6-174.413.100109.3N331 G788N331-Q431 HydrophobicContact CB-CB 4.46Å; N331-Q431 HydrophobicContact CB-CG 3.66Å; N331-Q431 VanDerWaalsContact OD1-CG 3.31Å; N331-Q431 WeakPolarHBondContact OD1-CG 3.43Å; N331-Q431 PolarHBondContact OD1-NE2 3.42Å; Q431-G788 PolarHBondContact OE1-O 2.72Å; Q431-G788 VanDerWaalsContact OE1-O 3.12Å
432Q82.5Confident85.6Confident23 Ų2343.5 Ų43.511%0.10724%0.24CC..  trans-139.7160-174.8-58.5-62.4-12.900110.7Y334 E425 F426 Y790Y334-Q432 WeakPolarHBondContact CB-O 3.49Å; Y334-Q432 HydrophobicContact CD1-CB 3.75Å; Y334-Q432 HydrophobicContact CD1-CG 4.41Å; Y334-Q432 HydrophobicContact CD2-CB 4.14Å; Y334-Q432 HydrophobicContact CE1-CB 3.58Å; Y334-Q432 HydrophobicContact CE1-CG 3.75Å; Y334-Q432 HydrophobicContact CE2-CB 4.03Å; Y334-Q432 HydrophobicContact CE2-CG 4.45Å; Y334-Q432 HydrophobicContact CG-CB 4.03Å; E425-Q432 PolarHBondContact O-NE2 3.43Å; E425-Q432 PolarHBondContact OE2-NE2 2.94Å; E425-Q432 PolarHBondContact OE2-OE1 3.45Å; F426-Q432 HydrophobicContact CD1-CB 4.24Å; F426-Q432 HydrophobicContact CD1-CG 4.04Å; F426-Q432 HydrophobicContact CE1-CB 3.85Å; F426-Q432 HydrophobicContact CE1-CG 4.11Å; Q432-Y790 VanDerWaalsContact O-CE2 3.3Å; Q432-Y790 WeakPolarHBondContact O-CE2 3.26Å
433D90.9Very high86.2Confident36 Ų3643.3 Ų43.319%0.19322%0.22CC..  trans-78.7137.7179.2-179.7-90000112.5Q435 E436 F437 Y790 Y820D433-Q435 VanDerWaalsContact OD1-CA 3.28Å; D433-Q435 WeakPolarHBondContact OD1-CA 3.42Å; D433-Q435 WeakPolarHBondContact OD1-CB 3.32Å; D433-Q435 PolarHBondContact OD1-N 3.38Å; D433-E436 HydrophobicContact CB-CB 4.18Å; D433-E436 PolarHBondContact OD1-N 3.17Å; D433-F437 PolarHBondContact O-N 2.94Å; D433-F437 VanDerWaalsContact O-N 3.12Å; D433-Y790 PolarHBondContact OD2-OH 3.01Å; D433-Y820 PolarHBondContact OD1-OH 3.2Å; D433-Y820 WeakPolarHBondContact OD2-CE1 3.29Å; D433-Y820 PolarHBondContact OD2-OH 3.05Å
434A94.3Very high86.6Confident0 Ų042.7 Ų42.70%022%0.218CC..Hα-helixtrans-70.9-31.2-177.700000113.3V338 L438 I778 Y790 L821V338-A434 HydrophobicContact CG2-CB 4.09Å; V338-A434 WeakPolarHBondContact CG2-O 3.2Å; A434-L438 WeakPolarHBondContact O-CB 3.49Å; A434-L438 PolarHBondContact O-N 3.07Å; A434-I778 HydrophobicContact CB-CG2 4.28Å; A434-Y790 HydrophobicContact CB-CD1 3.98Å; A434-Y790 HydrophobicContact CB-CE1 3.55Å; A434-Y790 HydrophobicContact CB-CE2 4.3Å; A434-Y790 HydrophobicContact CB-CG 4.5Å; A434-Y790 PolarHBondContact N-OH 3.49Å; A434-L821 HydrophobicContact CB-CD1 4.03Å
435Q96.2Very high87.4Confident28 Ų2838 Ų3813%0.13119%0.187CC..Hα-helixtrans-72.8-42.6177.8-176.9-93.8-13.100110.9D433 L438 L439 I484 Q566 Y820 L821D433-Q435 VanDerWaalsContact OD1-CA 3.28Å; D433-Q435 WeakPolarHBondContact OD1-CA 3.42Å; D433-Q435 WeakPolarHBondContact OD1-CB 3.32Å; D433-Q435 PolarHBondContact OD1-N 3.38Å; Q435-L438 PolarHBondContact O-N 2.92Å; Q435-L439 PolarHBondContact O-N 3.29Å; Q435-I484 HydrophobicContact CG-CD1 3.7Å; Q435-Q566 HydrophobicContact CG-CG 4.36Å; Q435-Y820 HydrophobicContact CB-CE1 4.31Å; Q435-L821 HydrophobicContact CB-CD1 4.19Å; Q435-L821 HydrophobicContact CB-CD2 4.02Å; Q435-L821 HydrophobicContact CG-CD2 4.21Å
436E95.4Very high87.8Confident80 Ų8035.8 Ų35.837%0.37418%0.177SC..Hα-helixtrans-60.4-46.3174.9-167.4-177.8171.500111F426 D433 L438 L439 H440F426-E436 HydrophobicContact CE2-CG 4.45Å; F426-E436 HydrophobicContact CZ-CB 4.26Å; F426-E436 HydrophobicContact CZ-CG 3.93Å; D433-E436 HydrophobicContact CB-CB 4.18Å; D433-E436 PolarHBondContact OD1-N 3.17Å; E436-L438 PolarHBondContact O-N 3.3Å; E436-L439 PolarHBondContact O-N 2.83Å; E436-H440 WeakPolarHBondContact O-CB 3.4Å; E436-H440 PolarHBondContact O-N 3.14Å
437F97.2Very high87.8Confident1 Ų140 Ų400%0.00419%0.193CC..Hα-helixtrans-63.2-39.9176.5-177.2-104.1000112.8Y334 L335 V338 M339 F415 V419 F426 D433 H440 F441Y334-F437 HydrophobicContact CD2-CB 3.73Å; Y334-F437 HydrophobicContact CD2-CD1 4.19Å; Y334-F437 HydrophobicContact CD2-CD2 4.05Å; Y334-F437 AromaticContact CD2-CG 3.7Å; Y334-F437 HydrophobicContact CD2-CG 3.7Å; Y334-F437 HydrophobicContact CE2-CB 4.15Å; Y334-F437 AromaticContact CE2-CD2 3.69Å; Y334-F437 HydrophobicContact CE2-CD2 3.69Å; Y334-F437 HydrophobicContact CE2-CE2 4.24Å; Y334-F437 AromaticContact CE2-CG 3.85Å; Y334-F437 HydrophobicContact CE2-CG 3.85Å; L335-F437 HydrophobicContact CB-CD1 4.45Å; L335-F437 HydrophobicContact CB-CE1 3.96Å; L335-F437 HydrophobicContact CB-CE2 4.47Å; L335-F437 HydrophobicContact CB-CZ 3.98Å; L335-F437 HydrophobicContact CD1-CE1 4.46Å; L335-F437 HydrophobicContact CD1-CE2 4.08Å; L335-F437 HydrophobicContact CD1-CZ 3.7Å; L335-F437 HydrophobicContact CG-CE1 3.83Å; L335-F437 HydrophobicContact CG-CE2 4.3Å; L335-F437 HydrophobicContact CG-CZ 3.55Å; V338-F437 HydrophobicContact CB-CD1 3.83Å; V338-F437 HydrophobicContact CB-CE1 4.17Å; V338-F437 HydrophobicContact CG1-CD1 3.9Å; V338-F437 HydrophobicContact CG1-CE1 4.12Å; V338-F437 HydrophobicContact CG2-CD1 4.05Å; M339-F437 HydrophobicContact CG-CE1 4.27Å; M339-F437 HydrophobicContact SD-CE1 4.09Å; F415-F437 HydrophobicContact CE1-CZ 4.41Å; V419-F437 HydrophobicContact CG2-CE2 4.01Å; V419-F437 HydrophobicContact CG2-CZ 4.25Å; F426-F437 AromaticContact CD1-CD2 3.79Å; F426-F437 HydrophobicContact CD1-CD2 3.79Å; F426-F437 HydrophobicContact CE1-CB 3.74Å; F426-F437 AromaticContact CE1-CD2 3.77Å; F426-F437 HydrophobicContact CE1-CD2 3.77Å; F426-F437 HydrophobicContact CE1-CG 4.24Å; F426-F437 HydrophobicContact CG-CD2 4.2Å; F426-F437 HydrophobicContact CZ-CB 3.91Å; F426-F437 HydrophobicContact CZ-CD2 4.16Å; D433-F437 PolarHBondContact O-N 2.94Å; D433-F437 VanDerWaalsContact O-N 3.12Å; F437-H440 PolarHBondContact O-N 2.81Å; F437-F441 WeakPolarHBondContact O-CB 3.36Å; F437-F441 PolarHBondContact O-N 3.22Å
438L97.3Very high88.2Confident0 Ų039.4 Ų39.40%018%0.184CC..Hα-helixtrans-60-47.8175.9173.461.7000111.4V338 L342 A434 Q435 E436 F441 I442 I484 V564 L821 F823V338-L438 HydrophobicContact CG1-CB 4.13Å; V338-L438 HydrophobicContact CG1-CD1 3.95Å; V338-L438 HydrophobicContact CG2-CB 4.35Å; L342-L438 HydrophobicContact CD1-CD1 4.14Å; L342-L438 HydrophobicContact CD2-CD1 3.86Å; L342-L438 HydrophobicContact CG-CD1 4.29Å; A434-L438 WeakPolarHBondContact O-CB 3.49Å; A434-L438 PolarHBondContact O-N 3.07Å; Q435-L438 PolarHBondContact O-N 2.92Å; E436-L438 PolarHBondContact O-N 3.3Å; L438-F441 PolarHBondContact O-N 3.16Å; L438-I442 HydrophobicContact CD1-CD1 3.86Å; L438-I442 HydrophobicContact CD1-CG1 4.21Å; L438-I442 HydrophobicContact CG-CD1 4.01Å; L438-I442 WeakPolarHBondContact O-CG1 3.18Å; L438-I442 PolarHBondContact O-N 3.11Å; L438-I484 HydrophobicContact CD2-CD1 3.88Å; L438-I484 HydrophobicContact CG-CD1 4.43Å; L438-V564 HydrophobicContact CD2-CG1 4.06Å; L438-L821 HydrophobicContact CD2-CD1 4.5Å; L438-F823 HydrophobicContact CD2-CE1 4.15Å; L438-F823 HydrophobicContact CD2-CZ 4.04Å
439L95.6Very high88.8Confident50 Ų5037.9 Ų37.926%0.26218%0.175SC..Hα-helixtrans-65.9-42.9177.8-73.1-173000112.2Q435 E436 F441 I442 N443 I484Q435-L439 PolarHBondContact O-N 3.29Å; E436-L439 PolarHBondContact O-N 2.83Å; L439-F441 VanDerWaalsContact C-N 3.3Å; L439-F441 PolarHBondContact O-N 3.33Å; L439-I442 PolarHBondContact O-N 3.03Å; L439-N443 WeakPolarHBondContact O-CB 3.49Å; L439-N443 PolarHBondContact O-N 3.11Å; L439-N443 PolarHBondContact O-ND2 3.11Å; L439-N443 VanDerWaalsContact O-ND2 3.09Å; L439-I484 HydrophobicContact CD2-CD1 3.62Å; L439-I484 HydrophobicContact CD2-CG1 4.08Å; L439-I484 HydrophobicContact CG-CD1 3.86Å
440H95.7Very high89Confident30 Ų3040.9 Ų40.914%0.13918%0.184CC..Hα-helixtrans-55.3-48.3174.1173.761.4000111V419 H423 F426 E436 F437 N443 M444V419-H440 PolarHBondContact O-NE2 3.2Å; H423-H440 AromaticContact CD2-CE1 3.61Å; H423-H440 AromaticContact CD2-ND1 3.63Å; F426-H440 HydrophobicContact CD2-CB 4.23Å; F426-H440 AromaticContact CD2-CD2 3.47Å; F426-H440 VanDerWaalsContact CD2-CD2 3.47Å; F426-H440 WeakPolarHBondContact CD2-CD2 3.47Å; F426-H440 AromaticContact CD2-CG 3.76Å; F426-H440 AromaticContact CD2-NE2 3.9Å; F426-H440 HydrophobicContact CE2-CB 3.6Å; F426-H440 AromaticContact CE2-CD2 3.77Å; F426-H440 AromaticContact CE2-CG 3.65Å; F426-H440 HydrophobicContact CZ-CB 4.36Å; E436-H440 WeakPolarHBondContact O-CB 3.4Å; E436-H440 PolarHBondContact O-N 3.14Å; F437-H440 PolarHBondContact O-N 2.81Å; H440-N443 PolarHBondContact O-N 3.36Å; H440-M444 PolarHBondContact NE2-SD 3.03Å; H440-M444 WeakPolarHBondContact O-CG 3.32Å; H440-M444 PolarHBondContact O-N 3.46Å
441F96.8Very high89.3Confident0 Ų038.2 Ų38.20%019%0.19CC..Hα-helixtrans-66.1-42178.9-173.1-104.6000112.9M339 L342 F348 F371 V375 F415 V419 F437 L438 L439 N443 M444 V445M339-F441 HydrophobicContact CE-CD1 4.43Å; M339-F441 HydrophobicContact CE-CE1 3.75Å; M339-F441 HydrophobicContact CE-CE2 4.12Å; M339-F441 HydrophobicContact CE-CZ 3.58Å; M339-F441 HydrophobicContact SD-CD1 4.17Å; M339-F441 HydrophobicContact SD-CD2 4.36Å; M339-F441 HydrophobicContact SD-CE1 4.08Å; M339-F441 HydrophobicContact SD-CE2 4.31Å; M339-F441 HydrophobicContact SD-CG 4.3Å; M339-F441 HydrophobicContact SD-CZ 4.16Å; L342-F441 HydrophobicContact CD1-CD1 3.36Å; L342-F441 HydrophobicContact CD1-CE1 3.59Å; L342-F441 HydrophobicContact CD1-CG 4.44Å; F348-F441 AromaticContact CE1-CE1 3.89Å; F348-F441 HydrophobicContact CE1-CE1 3.89Å; F371-F441 HydrophobicContact CE2-CD2 4.44Å; F371-F441 AromaticContact CE2-CE2 3.91Å; F371-F441 HydrophobicContact CE2-CE2 3.91Å; F371-F441 AromaticContact CZ-CE2 3.91Å; F371-F441 HydrophobicContact CZ-CE2 3.91Å; F371-F441 HydrophobicContact CZ-CZ 4.27Å; V375-F441 HydrophobicContact CG1-CZ 4.19Å; V375-F441 HydrophobicContact CG2-CE2 4.05Å; V375-F441 HydrophobicContact CG2-CZ 4.03Å; F415-F441 AromaticContact CE2-CE2 3.82Å; F415-F441 HydrophobicContact CE2-CE2 3.82Å; F415-F441 HydrophobicContact CE2-CZ 4.48Å; F415-F441 HydrophobicContact CZ-CD2 4.09Å; F415-F441 AromaticContact CZ-CE2 3.62Å; F415-F441 HydrophobicContact CZ-CE2 3.62Å; F415-F441 HydrophobicContact CZ-CZ 4.35Å; V419-F441 HydrophobicContact CG1-CD2 4.39Å; V419-F441 HydrophobicContact CG1-CE2 4.45Å; F437-F441 WeakPolarHBondContact O-CB 3.36Å; F437-F441 PolarHBondContact O-N 3.22Å; L438-F441 PolarHBondContact O-N 3.16Å; L439-F441 VanDerWaalsContact C-N 3.3Å; L439-F441 PolarHBondContact O-N 3.33Å; F441-N443 VanDerWaalsContact C-N 3.33Å; F441-N443 PolarHBondContact O-N 2.95Å; F441-M444 WeakPolarHBondContact O-CB 3.26Å; F441-M444 PolarHBondContact O-N 3.46Å; F441-V445 HydrophobicContact CD1-CG2 4.23Å; F441-V445 HydrophobicContact CE1-CG2 3.86Å; F441-V445 HydrophobicContact CZ-CG2 4.1Å; F441-V445 WeakPolarHBondContact O-CG2 3.33Å; F441-V445 PolarHBondContact O-N 3.49Å
442I94.6Very high89.3Confident0 Ų036.8 Ų36.80%019%0.194CC..Hα-helixtrans-58.2-45.6174-73170.5000110.5L438 L439 M444 V445 E446 F459 Y483L438-I442 HydrophobicContact CD1-CD1 3.86Å; L438-I442 HydrophobicContact CD1-CG1 4.21Å; L438-I442 HydrophobicContact CG-CD1 4.01Å; L438-I442 WeakPolarHBondContact O-CG1 3.18Å; L438-I442 PolarHBondContact O-N 3.11Å; L439-I442 PolarHBondContact O-N 3.03Å; I442-M444 VanDerWaalsContact C-N 3.32Å; I442-M444 PolarHBondContact O-N 3.41Å; I442-V445 WeakPolarHBondContact O-CA 3.3Å; I442-V445 WeakPolarHBondContact O-CB 3.45Å; I442-V445 PolarHBondContact O-N 2.89Å; I442-E446 WeakPolarHBondContact O-CG 3.27Å; I442-E446 PolarHBondContact O-N 3.2Å; I442-F459 HydrophobicContact CD1-CD2 4.43Å; I442-Y483 HydrophobicContact CD1-CD1 4.42Å; I442-Y483 HydrophobicContact CD1-CG 4.45Å; I442-Y483 HydrophobicContact CG2-CD1 3.91Å; I442-Y483 HydrophobicContact CG2-CD2 4.38Å; I442-Y483 HydrophobicContact CG2-CE1 3.82Å; I442-Y483 HydrophobicContact CG2-CE2 4.3Å; I442-Y483 HydrophobicContact CG2-CG 4.2Å
443N90.3Very high89.3Confident76 Ų7640 Ų4041%0.40622%0.217SC..Hα-helixtrans-63.6-36.5177-74.1-41000112.5L439 H440 F441 V445 E446 R447L439-N443 WeakPolarHBondContact O-CB 3.49Å; L439-N443 PolarHBondContact O-N 3.11Å; L439-N443 PolarHBondContact O-ND2 3.11Å; L439-N443 VanDerWaalsContact O-ND2 3.09Å; H440-N443 PolarHBondContact O-N 3.36Å; F441-N443 VanDerWaalsContact C-N 3.33Å; F441-N443 PolarHBondContact O-N 2.95Å; N443-V445 VanDerWaalsContact C-N 3.34Å; N443-E446 PolarHBondContact O-N 3.39Å; N443-R447 VanDerWaalsContact O-CG 3.3Å; N443-R447 WeakPolarHBondContact O-CG 3.49Å; N443-R447 PolarHBondContact O-N 3.5Å; N443-R447 VanDerWaalsContact O-N 3.08Å
444M92.6Very high89.2Confident27 Ų2739 Ų3913%0.13321%0.212CC..Hα-helixtrans-63.6-39.3171.3-69.9-171.177.100112F371 V419 H440 F441 I442 R447 N448F371-M444 HydrophobicContact CD2-CB 4.5Å; F371-M444 HydrophobicContact CD2-CE 3.74Å; F371-M444 HydrophobicContact CE2-CB 3.71Å; F371-M444 HydrophobicContact CE2-CE 3.85Å; F371-M444 HydrophobicContact CE2-SD 4.28Å; F371-M444 HydrophobicContact CZ-CB 3.94Å; V419-M444 HydrophobicContact CB-CE 4.41Å; V419-M444 HydrophobicContact CB-SD 3.88Å; V419-M444 HydrophobicContact CG1-CE 4.32Å; V419-M444 HydrophobicContact CG1-SD 4.1Å; H440-M444 PolarHBondContact NE2-SD 3.03Å; H440-M444 WeakPolarHBondContact O-CG 3.32Å; H440-M444 PolarHBondContact O-N 3.46Å; F441-M444 WeakPolarHBondContact O-CB 3.26Å; F441-M444 PolarHBondContact O-N 3.46Å; I442-M444 VanDerWaalsContact C-N 3.32Å; I442-M444 PolarHBondContact O-N 3.41Å; M444-R447 PolarHBondContact O-N 2.6Å; M444-N448 PolarHBondContact O-N 3.27Å; M444-N448 PolarHBondContact O-ND2 2.65Å
445V93.3Very high89.2Confident0 Ų039 Ų390%021%0.212CC..Hα-helixtrans-62.6-47.5174.3171.60000110.7F348 F371 F441 I442 N443 R447 N448 C449 N454 P455F348-V445 HydrophobicContact CE1-CG2 4.21Å; F371-V445 HydrophobicContact CE1-CG2 4.19Å; F371-V445 HydrophobicContact CZ-CG2 3.85Å; F441-V445 HydrophobicContact CD1-CG2 4.23Å; F441-V445 HydrophobicContact CE1-CG2 3.86Å; F441-V445 HydrophobicContact CZ-CG2 4.1Å; F441-V445 WeakPolarHBondContact O-CG2 3.33Å; F441-V445 PolarHBondContact O-N 3.49Å; I442-V445 WeakPolarHBondContact O-CA 3.3Å; I442-V445 WeakPolarHBondContact O-CB 3.45Å; I442-V445 PolarHBondContact O-N 2.89Å; N443-V445 VanDerWaalsContact C-N 3.34Å; V445-R447 VanDerWaalsContact C-N 3.28Å; V445-R447 PolarHBondContact O-N 3.09Å; V445-N448 PolarHBondContact O-N 3.38Å; V445-C449 HydrophobicContact CG1-CB 4.45Å; V445-C449 VanDerWaalsContact O-CB 3.3Å; V445-C449 WeakPolarHBondContact O-CB 3.43Å; V445-C449 PolarHBondContact O-N 3.15Å; V445-N454 WeakPolarHBondContact CG1-OD1 3.38Å; V445-P455 HydrophobicContact CG1-CG 3.84Å
446E87.9Confident89.1Confident23 Ų2337.7 Ų37.711%0.10721%0.206CC..Hα-helixtrans-53-46.6176.1-70.1-62162.600112.2I442 N443 N448 C449 N454 S456 R460 Y483I442-E446 WeakPolarHBondContact O-CG 3.27Å; I442-E446 PolarHBondContact O-N 3.2Å; N443-E446 PolarHBondContact O-N 3.39Å; E446-N448 PolarHBondContact O-N 2.94Å; E446-C449 PolarHBondContact O-N 3.31Å; E446-N454 PolarHBondContact OE2-ND2 3.47Å; E446-S456 WeakPolarHBondContact OE1-CB 3.46Å; E446-S456 PolarHBondContact OE1-OG 3.09Å; E446-R460 IonicContact OE1-CZ 2.84Å; E446-R460 IonicContact OE1-NE 3.09Å; E446-R460 IonicContact OE1-NH2 3.66Å; E446-R460 PolarHBondContact OE1-NH2 3.23Å; E446-R460 IonicContact OE2-NH2 3.01Å; E446-R460 PolarHBondContact OE2-NH2 2.96Å; E446-Y483 PolarHBondContact OE1-OH 3.45Å
447R86.3Confident89Confident90 Ų9036.1 Ų36.134%0.3420%0.199SC..Hα-helixtrans-62.5-30.1179.7-72169.5177.2171.2-2.1113.2N443 M444 V445 D729 F732N443-R447 VanDerWaalsContact O-CG 3.3Å; N443-R447 WeakPolarHBondContact O-CG 3.49Å; N443-R447 PolarHBondContact O-N 3.5Å; N443-R447 VanDerWaalsContact O-N 3.08Å; M444-R447 PolarHBondContact O-N 2.6Å; V445-R447 VanDerWaalsContact C-N 3.28Å; V445-R447 PolarHBondContact O-N 3.09Å; R447-D729 IonicContact CZ-OD1 2.78Å; R447-D729 IonicContact NH2-OD1 3.45Å; R447-D729 PolarHBondContact NH2-OD1 2.89Å; R447-F732 HydrophobicContact CB-CE2 4.39Å; R447-F732 HydrophobicContact CB-CZ 4.24Å; R447-F732 HydrophobicContact CG-CD2 4.26Å; R447-F732 HydrophobicContact CG-CE2 3.81Å; R447-F732 HydrophobicContact CG-CZ 4.02Å
448N87.4Confident88.9Confident60 Ų6036.1 Ų36.132%0.32120%0.198SC..Hα-helixtrans-102.6-9.2-174.8-73.5-84.4000114.4F371 K372 M444 V445 E446F371-N448 HydrophobicContact CD1-CB 3.51Å; F371-N448 VanDerWaalsContact CD1-CG 3.46Å; F371-N448 HydrophobicContact CE1-CB 3.9Å; F371-N448 HydrophobicContact CG-CB 4.34Å; K372-N448 WeakPolarHBondContact CE-O 3.47Å; K372-N448 PolarHBondContact NZ-O 3.01Å; M444-N448 PolarHBondContact O-N 3.27Å; M444-N448 PolarHBondContact O-ND2 2.65Å; V445-N448 PolarHBondContact O-N 3.38Å; E446-N448 PolarHBondContact O-N 2.94Å
449C84.2Confident88.8Confident5 Ų536.1 Ų36.13%0.03420%0.199CC..Hα-helixtrans-116.511-175.1-75.10000115V445 E446 S451 G452 N454V445-C449 HydrophobicContact CG1-CB 4.45Å; V445-C449 VanDerWaalsContact O-CB 3.3Å; V445-C449 WeakPolarHBondContact O-CB 3.43Å; V445-C449 PolarHBondContact O-N 3.15Å; E446-C449 PolarHBondContact O-N 3.31Å; C449-S451 VanDerWaalsContact C-N 3.34Å; C449-S451 PolarHBondContact O-N 3.22Å; C449-G452 PolarHBondContact O-N 3.3Å; C449-G452 VanDerWaalsContact O-N 3.17Å; C449-N454 HydrophobicContact CB-CB 3.98Å
450R73.6Confident88.8Confident95 Ų9534.8 Ų34.836%0.35819%0.19SC..THydrogen-bonded Turntrans-52.6-43.6-175.9-179.959.6-175.8171.84.4114.8L735 D739R450-L735 VanDerWaalsContact NH2-CD2 3.3Å; R450-D739 IonicContact CZ-OD2 3.98Å; R450-D739 IonicContact NH2-OD1 3.59Å; R450-D739 IonicContact NH2-OD2 3.12Å; R450-D739 PolarHBondContact NH2-OD2 2.82Å
451S70.6Confident88.8Confident108 Ų10833.5 Ų33.576%0.75518%0.184SC*.THydrogen-bonded Turntrans-95.74.9-175.956.60000114.5C449C449-S451 VanDerWaalsContact C-N 3.34Å; C449-S451 PolarHBondContact O-N 3.22Å
452G73.4Confident88.8Confident40 Ų4034.7 Ų34.741%0.41219%0.19SC..SBendtrans-136.4-167.9-173.700000113.5C449 N454C449-G452 PolarHBondContact O-N 3.3Å; C449-G452 VanDerWaalsContact O-N 3.17Å; G452-N454 PolarHBondContact O-N 2.68Å
453P81.4Confident88.8Confident92 Ų9235 Ų3560%0.59719%0.192SC*.  trans-59.8123.8172.4-18.631.2000109.9
454N89.8Confident89Confident14 Ų1432.1 Ų32.18%0.07518%0.176CC..  trans-111.4104.6-178.2-168.8-1.5000110.6V445 E446 C449 G452 S456 E457V445-N454 WeakPolarHBondContact CG1-OD1 3.38Å; E446-N454 PolarHBondContact OE2-ND2 3.47Å; C449-N454 HydrophobicContact CB-CB 3.98Å; G452-N454 PolarHBondContact O-N 2.68Å; N454-S456 PolarHBondContact ND2-OG 2.87Å; N454-S456 PolarHBondContact O-N 2.99Å; N454-S456 PolarHBondContact OD1-N 3.39Å; N454-S456 PolarHBondContact OD1-OG 3.35Å; N454-E457 HydrophobicContact CB-CG 4.18Å; N454-E457 WeakPolarHBondContact O-CB 3.21Å; N454-E457 WeakPolarHBondContact O-CG 3.17Å; N454-E457 PolarHBondContact O-N 3.33Å
455P94.1Very high89.1Confident1 Ų132.2 Ų32.21%0.00618%0.176CC..G310 helixtrans-72-13.6-174.729.2-33.7000113.1D347 F348 T351 Y352 V445 E457 A458D347-P455 HydrophobicContact CB-CB 3.86Å; F348-P455 HydrophobicContact CD1-CB 4.34Å; F348-P455 HydrophobicContact CD1-CG 4.22Å; F348-P455 HydrophobicContact CD2-CB 3.76Å; F348-P455 HydrophobicContact CD2-CG 4.46Å; F348-P455 HydrophobicContact CE1-CB 4.35Å; F348-P455 HydrophobicContact CE1-CG 4.05Å; F348-P455 HydrophobicContact CE2-CB 3.73Å; F348-P455 HydrophobicContact CE2-CG 4.27Å; F348-P455 HydrophobicContact CG-CB 4.05Å; F348-P455 HydrophobicContact CG-CG 4.42Å; F348-P455 HydrophobicContact CZ-CB 4.07Å; F348-P455 HydrophobicContact CZ-CG 4.08Å; T351-P455 HydrophobicContact CG2-CG 4.2Å; Y352-P455 HydrophobicContact CE2-CG 3.77Å; V445-P455 HydrophobicContact CG1-CG 3.84Å; P455-E457 PolarHBondContact O-N 3Å; P455-A458 WeakPolarHBondContact O-CB 3.44Å; P455-A458 PolarHBondContact O-N 3.25Å
456S93.2Very high89.1Confident0 Ų034.6 Ų34.60%019%0.187CC..G310 helixtrans-65.9-21.9173.266.60000113E446 N454 A458 F459 R460E446-S456 WeakPolarHBondContact OE1-CB 3.46Å; E446-S456 PolarHBondContact OE1-OG 3.09Å; N454-S456 PolarHBondContact ND2-OG 2.87Å; N454-S456 PolarHBondContact O-N 2.99Å; N454-S456 PolarHBondContact OD1-N 3.39Å; N454-S456 PolarHBondContact OD1-OG 3.35Å; S456-A458 PolarHBondContact O-N 3.3Å; S456-F459 PolarHBondContact O-N 2.95Å; S456-R460 PolarHBondContact O-N 2.76Å; S456-R460 VanDerWaalsContact O-N 3.11Å
457E92.8Very high89.4Confident47 Ų4734.8 Ų34.822%0.2219%0.188CC..G310 helixtrans-59.5-18.3175.5-68.7-179.9-177.500112.3N454 P455 F459 R766N454-E457 HydrophobicContact CB-CG 4.18Å; N454-E457 WeakPolarHBondContact O-CB 3.21Å; N454-E457 WeakPolarHBondContact O-CG 3.17Å; N454-E457 PolarHBondContact O-N 3.33Å; P455-E457 PolarHBondContact O-N 3Å; E457-F459 VanDerWaalsContact C-N 3.27Å; E457-R766 VanDerWaalsContact C-NH2 3.32Å; E457-R766 PolarHBondContact O-NE 3.4Å
458A95.1Very high89.7Confident0 Ų032 Ų320%018%0.181CC..G310 helixtrans-70.8-26.4176.100000112.2V345 D347 P455 S456 D561 H562V345-A458 HydrophobicContact CG1-CB 4.22Å; D347-A458 HydrophobicContact CB-CB 4.2Å; P455-A458 WeakPolarHBondContact O-CB 3.44Å; P455-A458 PolarHBondContact O-N 3.25Å; S456-A458 PolarHBondContact O-N 3.3Å; A458-D561 PolarHBondContact O-N 3.41Å; A458-D561 VanDerWaalsContact O-N 3.16Å; A458-H562 PolarHBondContact O-N 3.41Å
459F96.6Very high90Very high1 Ų129.2 Ų29.20%0.00417%0.166CC..THydrogen-bonded Turntrans-103.2-22.7-179.7-58.2-65.7000113.1L342 V345 F348 I442 S456 E457 F461 Y483 H562 V564 F823L342-F459 HydrophobicContact CD2-CE2 3.59Å; L342-F459 HydrophobicContact CD2-CZ 3.58Å; V345-F459 HydrophobicContact CG2-CE1 4.22Å; V345-F459 HydrophobicContact CG2-CZ 3.78Å; F348-F459 HydrophobicContact CD2-CE2 4.31Å; F348-F459 HydrophobicContact CE2-CD2 4.19Å; F348-F459 AromaticContact CE2-CE2 3.43Å; F348-F459 HydrophobicContact CE2-CE2 3.43Å; F348-F459 VanDerWaalsContact CE2-CE2 3.43Å; F348-F459 HydrophobicContact CE2-CZ 4.28Å; F348-F459 HydrophobicContact CZ-CE2 4.03Å; I442-F459 HydrophobicContact CD1-CD2 4.43Å; S456-F459 PolarHBondContact O-N 2.95Å; E457-F459 VanDerWaalsContact C-N 3.27Å; F459-F461 WeakPolarHBondContact O-CD1 3.47Å; F459-F461 PolarHBondContact O-N 2.89Å; F459-Y483 HydrophobicContact CB-CD1 4.14Å; F459-H562 HydrophobicContact CD1-CB 3.66Å; F459-H562 WeakPolarHBondContact CD1-O 3.39Å; F459-H562 HydrophobicContact CE1-CB 3.57Å; F459-V564 HydrophobicContact CD1-CG2 3.64Å; F459-V564 HydrophobicContact CE1-CG2 4Å; F459-V564 HydrophobicContact CG-CG2 4.44Å; F459-F823 HydrophobicContact CE1-CD1 4.41Å
460R95.4Very high90.4Very high22 Ų2232.6 Ų32.68%0.08318%0.182CC..  trans-67.3130.2-173.7-164.9-172.2-67.5152.7-4.1111.7E446 S456 V481 Y483 R764 V765E446-R460 IonicContact OE1-CZ 2.84Å; E446-R460 IonicContact OE1-NE 3.09Å; E446-R460 IonicContact OE1-NH2 3.66Å; E446-R460 PolarHBondContact OE1-NH2 3.23Å; E446-R460 IonicContact OE2-NH2 3.01Å; E446-R460 PolarHBondContact OE2-NH2 2.96Å; S456-R460 PolarHBondContact O-N 2.76Å; S456-R460 VanDerWaalsContact O-N 3.11Å; R460-V481 HydrophobicContact CG-CG1 3.43Å; R460-V481 VanDerWaalsContact CG-CG1 3.43Å; R460-Y483 HydrophobicContact CB-CD1 4.15Å; R460-Y483 HydrophobicContact CB-CE1 3.69Å; R460-Y483 HydrophobicContact CG-CE1 3.86Å; R460-Y483 PolarHBondContact NE-OH 2.99Å; R460-Y483 VanDerWaalsContact NE-OH 3.13Å; R460-R764 WeakPolarHBondContact CD-O 3.33Å; R460-R764 PolarHBondContact NH1-O 3.03Å; R460-V765 HydrophobicContact CG-CG1 4.04Å
461F95.8Very high91.2Very high3 Ų334 Ų341%0.01319%0.192CC..EExtended strand (participates in β ladder)trans-141.4167.6173.867.9-85000112.6F459 V463 V481 D482 V485 F556 P560F459-F461 WeakPolarHBondContact O-CD1 3.47Å; F459-F461 PolarHBondContact O-N 2.89Å; F461-V463 HydrophobicContact CD2-CG2 4.01Å; F461-V463 HydrophobicContact CE2-CG2 3.45Å; F461-V463 VanDerWaalsContact CE2-CG2 3.45Å; F461-V463 HydrophobicContact CZ-CG2 4.33Å; F461-V481 WeakPolarHBondContact O-CA 3.09Å; F461-D482 WeakPolarHBondContact CD1-O 3.41Å; F461-D482 HydrophobicContact CE1-CB 4.1Å; F461-D482 HydrophobicContact CE2-CB 4.04Å; F461-D482 HydrophobicContact CZ-CB 3.75Å; F461-D482 PolarHBondContact N-O 2.9Å; F461-D482 PolarHBondContact O-N 3.4Å; F461-V485 HydrophobicContact CE1-CG2 4.21Å; F461-V485 HydrophobicContact CE2-CG2 4.21Å; F461-V485 HydrophobicContact CZ-CG2 3.58Å; F461-F556 AromaticContact CD2-CD1 3.77Å; F461-F556 HydrophobicContact CD2-CD1 3.77Å; F461-F556 HydrophobicContact CD2-CE1 4Å; F461-F556 AromaticContact CE2-CD1 3.76Å; F461-F556 HydrophobicContact CE2-CD1 3.76Å; F461-F556 AromaticContact CE2-CE1 3.57Å; F461-F556 HydrophobicContact CE2-CE1 3.57Å; F461-F556 HydrophobicContact CZ-CE1 4.17Å; F461-P560 HydrophobicContact CB-CB 4.13Å; F461-P560 HydrophobicContact CB-CG 4.01Å; F461-P560 HydrophobicContact CD1-CG 3.96Å; F461-P560 HydrophobicContact CG-CG 4.24Å
462L95.8Very high92.2Very high25 Ų2530.5 Ų30.513%0.13117%0.167CC..EExtended strand (participates in β ladder)trans-103.7130.6177.5-64.3177.3000110.7R480 V481 A557 S558 P763 V765L462-R480 WeakPolarHBondContact CA-O 3.44Å; L462-V481 HydrophobicContact CD2-CG2 3.86Å; L462-A557 HydrophobicContact CB-CB 3.64Å; L462-A557 PolarHBondContact O-N 3.14Å; L462-S558 PolarHBondContact N-OG 3.46Å; L462-S558 PolarHBondContact O-N 3.38Å; L462-P763 HydrophobicContact CD2-CG 4.08Å; L462-V765 HydrophobicContact CD1-CG2 3.89Å; L462-V765 HydrophobicContact CD2-CG1 4.22Å; L462-V765 HydrophobicContact CG-CG1 3.99Å; L462-V765 HydrophobicContact CG-CG2 4.09Å
463V95Very high93.1Very high7 Ų734.9 Ų34.94%0.04218%0.177CC..EExtended strand (participates in β ladder)trans-100.2128.4169.3178.10000108.2F461 E465 Q479 R480 D482 T554 R555F461-V463 HydrophobicContact CD2-CG2 4.01Å; F461-V463 HydrophobicContact CE2-CG2 3.45Å; F461-V463 VanDerWaalsContact CE2-CG2 3.45Å; F461-V463 HydrophobicContact CZ-CG2 4.33Å; V463-E465 HydrophobicContact CG1-CG 4.21Å; V463-Q479 CarbonylContact O-C 3.59Å; V463-Q479 VanDerWaalsContact O-CA 3.25Å; V463-Q479 WeakPolarHBondContact O-CA 3.39Å; V463-R480 HydrophobicContact CB-CG 3.95Å; V463-R480 PolarHBondContact N-O 3.07Å; V463-R480 PolarHBondContact O-N 2.92Å; V463-D482 HydrophobicContact CG2-CB 3.97Å; V463-T554 HydrophobicContact CG1-CG2 3.38Å; V463-R555 WeakPolarHBondContact CA-O 3.26Å
464E95.3Very high93.6Very high14 Ų1433.1 Ų33.17%0.06516%0.16CC..EExtended strand (participates in β ladder)trans-97.8123.6168.7-179.1172.5100.500109.3Y477 Q479 R555 A557 A598 G600E464-Y477 HydrophobicContact CG-CD1 4.05Å; E464-Q479 HydrophobicContact CB-CG 4.47Å; E464-R555 PolarHBondContact N-O 3.43Å; E464-R555 PolarHBondContact O-N 3.36Å; E464-A557 HydrophobicContact CB-CB 4.11Å; E464-A598 HydrophobicContact CB-CB 3.6Å; E464-A598 HydrophobicContact CG-CB 4.03Å; E464-A598 WeakPolarHBondContact OE1-CB 3.49Å; E464-G600 PolarHBondContact OE1-N 3.08Å; E464-G600 WeakPolarHBondContact OE2-CA 3.42Å
465E93.4Very high93.8Very high29 Ų2932.5 Ų32.514%0.13616%0.157CC..EExtended strand (participates in β ladder)trans-106.6122.4171.1-59.8-172164.700108.9V463 Y477 T478 R480 K552V463-E465 HydrophobicContact CG1-CG 4.21Å; E465-Y477 WeakPolarHBondContact O-CA 3.5Å; E465-T478 PolarHBondContact N-O 2.9Å; E465-T478 PolarHBondContact O-N 2.95Å; E465-T478 PolarHBondContact O-OG1 2.53Å; E465-R480 IonicContact OE1-CZ 2.76Å; E465-R480 IonicContact OE1-NE 3.98Å; E465-R480 PolarHBondContact OE1-NE 2.85Å; E465-K552 IonicContact OE1-NZ 3.86Å; E465-K552 PolarHBondContact OE1-NZ 3.4Å; E465-K552 VanDerWaalsContact OE1-NZ 3.09Å; E465-K552 WeakPolarHBondContact OE2-CE 3.35Å; E465-K552 IonicContact OE2-NZ 3.64Å; E465-K552 PolarHBondContact OE2-NZ 3.37Å
466K94.5Very high93.6Very high51 Ų5137.8 Ų37.822%0.22218%0.18CC..EExtended strand (participates in β ladder)trans-107.1121.4175.7179.2-176.7-176.1168.80109V468 K476 Y477 K552 T553 E605K466-V468 HydrophobicContact CD-CG2 4.22Å; K466-V468 HydrophobicContact CG-CG2 4.04Å; K466-K476 WeakPolarHBondContact CA-O 3.44Å; K466-Y477 HydrophobicContact CB-CD1 4.11Å; K466-Y477 HydrophobicContact CB-CE1 3.87Å; K466-Y477 HydrophobicContact CD-CE1 3.72Å; K466-Y477 WeakPolarHBondContact CD-OH 3.48Å; K466-Y477 WeakPolarHBondContact CE-OH 3.44Å; K466-Y477 HydrophobicContact CG-CD1 4.23Å; K466-Y477 HydrophobicContact CG-CE1 3.67Å; K466-Y477 PolarHBondContact NZ-OH 3.49Å; K466-K552 CarbonylContact O-C 3.54Å; K466-K552 WeakPolarHBondContact O-CA 3.35Å; K466-T553 PolarHBondContact N-O 3.19Å; K466-T553 PolarHBondContact O-N 2.89Å; K466-E605 IonicContact NZ-OE1 2.9Å; K466-E605 PolarHBondContact NZ-OE1 3.41Å; K466-E605 IonicContact NZ-OE2 2.67Å
467I92.8Very high93.5Very high26 Ų2640 Ų4013%0.13319%0.189CC..EExtended strand (participates in β ladder)trans-111.7122.2174.5-60.2173.9000108.3A475 K476 F539 A550 T551 K552I467-A475 CarbonylContact O-C 3.43Å; I467-A475 VanDerWaalsContact O-CA 3.26Å; I467-A475 WeakPolarHBondContact O-CA 3.16Å; I467-K476 PolarHBondContact N-O 3.31Å; I467-K476 PolarHBondContact O-N 3.48Å; I467-F539 HydrophobicContact CG2-CD2 4.43Å; I467-F539 HydrophobicContact CG2-CE1 4.47Å; I467-F539 HydrophobicContact CG2-CE2 3.89Å; I467-F539 HydrophobicContact CG2-CZ 3.9Å; I467-A550 HydrophobicContact CG2-CB 3.8Å; I467-T551 WeakPolarHBondContact CA-O 3.47Å; I467-K552 HydrophobicContact CG1-CB 4.48Å; I467-K552 HydrophobicContact CG1-CG 4.25Å
468V94.3Very high93.4Very high33 Ų3340.2 Ų40.220%0.219%0.193CC..EExtended strand (participates in β ladder)trans-114.4121.7177.1-175.20000109.6K466 Q470 A475 A550 T551K466-V468 HydrophobicContact CD-CG2 4.22Å; K466-V468 HydrophobicContact CG-CG2 4.04Å; V468-Q470 PolarHBondContact O-N 3.24Å; V468-A475 HydrophobicContact CG2-CB 4.17Å; V468-A550 CarbonylContact O-C 3.45Å; V468-A550 VanDerWaalsContact O-CA 3.24Å; V468-A550 WeakPolarHBondContact O-CA 3.15Å; V468-A550 WeakPolarHBondContact O-CB 3.4Å; V468-T551 PolarHBondContact N-O 3.08Å; V468-T551 PolarHBondContact O-N 2.78Å
469C92.5Very high93.2Very high0 Ų045.9 Ų45.90%022%0.22CC..EExtended strand (participates in β ladder)trans-70.4125.1173.2170.70000109.8Q471 S472 Q473 K474 F539 S541 L608C469-Q471 VanDerWaalsContact C-N 3.3Å; C469-Q471 PolarHBondContact O-N 3.1Å; C469-S472 VanDerWaalsContact CB-OG 3.27Å; C469-S472 WeakPolarHBondContact CB-OG 3.28Å; C469-S472 PolarHBondContact SG-N 3.05Å; C469-S472 PolarHBondContact SG-OG 3.04Å; C469-Q473 VanDerWaalsContact O-CA 3.24Å; C469-Q473 WeakPolarHBondContact O-CA 3.44Å; C469-Q473 PolarHBondContact O-N 2.8Å; C469-K474 PolarHBondContact N-O 3.09Å; C469-F539 HydrophobicContact CB-CE1 4.41Å; C469-S541 PolarHBondContact SG-OG 3.11Å; C469-L608 HydrophobicContact CB-CD2 4.22Å
470Q92.9Very high92.9Very high77 Ų7750.8 Ų50.836%0.3624%0.238SC..THydrogen-bonded Turntrans-69.4-27.3-175.3-68.6-161.1-19.800113.6V468 Q473 S549 T551V468-Q470 PolarHBondContact O-N 3.24Å; Q470-Q473 PolarHBondContact O-NE2 3.38Å; Q470-S549 PolarHBondContact N-O 2.97Å; Q470-S549 PolarHBondContact OE1-OG 2.89Å; Q470-T551 PolarHBondContact NE2-OG1 3.08Å
471Q90.9Very high92.8Very high125 Ų12552.2 Ų52.258%0.58425%0.249SC*.THydrogen-bonded Turntrans-82.3-47.8179.1-70-179.411.800112.7C469 V544 T548C469-Q471 VanDerWaalsContact C-N 3.3Å; C469-Q471 PolarHBondContact O-N 3.1Å; Q471-V544 HydrophobicContact CB-CG2 4.08Å; Q471-T548 VanDerWaalsContact CG-OG1 3.32Å; Q471-T548 WeakPolarHBondContact CG-OG1 3.41Å; Q471-T548 PolarHBondContact NE2-OG1 3.38Å
472S90.7Very high92.7Very high33 Ų3353.7 Ų53.723%0.23126%0.257CS..THydrogen-bonded Turntrans-87.1-15.2-176.766.80000113.9C469 K474C469-S472 VanDerWaalsContact CB-OG 3.27Å; C469-S472 WeakPolarHBondContact CB-OG 3.28Å; C469-S472 PolarHBondContact SG-N 3.05Å; C469-S472 PolarHBondContact SG-OG 3.04Å; S472-K474 PolarHBondContact O-N 2.81Å; S472-K474 VanDerWaalsContact O-N 3.07Å; S472-K474 PolarHBondContact OG-N 2.85Å
473Q93.3Very high92.7Very high133 Ų13354 Ų5462%0.62126%0.257SS*.  trans5813-171.8-61.7-65.3-55.900114.3C469 Q470C469-Q473 VanDerWaalsContact O-CA 3.24Å; C469-Q473 WeakPolarHBondContact O-CA 3.44Å; C469-Q473 PolarHBondContact O-N 2.8Å; Q470-Q473 PolarHBondContact O-NE2 3.38Å
474K92.3Very high92.9Very high54 Ų5453.8 Ų53.824%0.23526%0.256CS..  trans-83.5144.8176.3-61.6-169.3179.3-1590111.1C469 S472 A543 E606 L608C469-K474 PolarHBondContact N-O 3.09Å; S472-K474 PolarHBondContact O-N 2.81Å; S472-K474 VanDerWaalsContact O-N 3.07Å; S472-K474 PolarHBondContact OG-N 2.85Å; K474-A543 HydrophobicContact CD-CB 3.79Å; K474-E606 CarbonylContact C-O 3.5Å; K474-E606 WeakPolarHBondContact CA-O 3.48Å; K474-E606 WeakPolarHBondContact CB-O 3.39Å; K474-E606 HydrophobicContact CD-CB 4.33Å; K474-E606 WeakPolarHBondContact CE-OE2 3.33Å; K474-E606 HydrophobicContact CG-CB 4.01Å; K474-E606 IonicContact NZ-OE2 3.09Å; K474-E606 PolarHBondContact NZ-OE2 3.45Å; K474-L608 HydrophobicContact CB-CD2 3.79Å; K474-L608 HydrophobicContact CB-CG 3.9Å
475A92.9Very high92.9Very high2 Ų253.6 Ų53.62%0.01726%0.255CS..EExtended strand (participates in β ladder)trans-110.3151-174.700000112.7I467 V468 Y477 E606 L607 L608I467-A475 CarbonylContact O-C 3.43Å; I467-A475 VanDerWaalsContact O-CA 3.26Å; I467-A475 WeakPolarHBondContact O-CA 3.16Å; V468-A475 HydrophobicContact CG2-CB 4.17Å; A475-Y477 HydrophobicContact CB-CE2 3.91Å; A475-E606 PolarHBondContact N-O 2.93Å; A475-L607 CarbonylContact O-C 3.53Å; A475-L607 VanDerWaalsContact O-CA 3.23Å; A475-L607 WeakPolarHBondContact O-CA 3.46Å; A475-L607 WeakPolarHBondContact O-CD2 3.4Å; A475-L608 PolarHBondContact O-N 2.9Å
476K90Very high93Very high112 Ų11256.5 Ų56.549%0.48727%0.269SS..EExtended strand (participates in β ladder)trans-126132.9165.3-179.8177-178.4-179.70108.5K466 I467 T478 L608K466-K476 WeakPolarHBondContact CA-O 3.44Å; I467-K476 PolarHBondContact N-O 3.31Å; I467-K476 PolarHBondContact O-N 3.48Å; K476-T478 HydrophobicContact CG-CG2 4.41Å; K476-L608 HydrophobicContact CB-CB 4.43Å; K476-L608 HydrophobicContact CB-CD1 3.88Å
477Y91.8Very high93Very high47 Ų4754.1 Ų54.118%0.18426%0.258CS..EExtended strand (participates in β ladder)trans-109.6131.2176.1-68.7-91000108.8E464 E465 K466 A475 G600 Q601 E605 L607E464-Y477 HydrophobicContact CG-CD1 4.05Å; E465-Y477 WeakPolarHBondContact O-CA 3.5Å; K466-Y477 HydrophobicContact CB-CD1 4.11Å; K466-Y477 HydrophobicContact CB-CE1 3.87Å; K466-Y477 HydrophobicContact CD-CE1 3.72Å; K466-Y477 WeakPolarHBondContact CD-OH 3.48Å; K466-Y477 WeakPolarHBondContact CE-OH 3.44Å; K466-Y477 HydrophobicContact CG-CD1 4.23Å; K466-Y477 HydrophobicContact CG-CE1 3.67Å; K466-Y477 PolarHBondContact NZ-OH 3.49Å; A475-Y477 HydrophobicContact CB-CE2 3.91Å; Y477-G600 PolarHBondContact OH-O 3.45Å; Y477-Q601 HydrophobicContact CD2-CB 4.28Å; Y477-Q601 HydrophobicContact CE2-CB 3.97Å; Y477-Q601 HydrophobicContact CE2-CG 4.29Å; Y477-E605 PolarHBondContact OH-OE1 3.24Å; Y477-E605 PolarHBondContact OH-OE2 2.91Å; Y477-L607 HydrophobicContact CD2-CD2 3.95Å; Y477-L607 HydrophobicContact CE2-CD2 4.3Å
478T90.3Very high93.1Very high51 Ų5154.7 Ų54.731%0.31326%0.264SS..EExtended strand (participates in β ladder)trans-132.2138.2173.646.80000109E465 K476E465-T478 PolarHBondContact N-O 2.9Å; E465-T478 PolarHBondContact O-N 2.95Å; E465-T478 PolarHBondContact O-OG1 2.53Å; K476-T478 HydrophobicContact CG-CG2 4.41Å
479Q91.2Very high93.1Very high118 Ų11854 Ų5455%0.55126%0.26SS*.EExtended strand (participates in β ladder)trans-110.8143.1175.3-67.5-176.1-1000109.9V463 E464V463-Q479 CarbonylContact O-C 3.59Å; V463-Q479 VanDerWaalsContact O-CA 3.25Å; V463-Q479 WeakPolarHBondContact O-CA 3.39Å; E464-Q479 HydrophobicContact CB-CG 4.47Å
480R90.4Very high93.1Very high105 Ų10554.8 Ų54.840%0.39627%0.265SS..EExtended strand (participates in β ladder)trans-138.2149.2174.465.8-176.6-17578.94110.8L462 V463 E465 D482L462-R480 WeakPolarHBondContact CA-O 3.44Å; V463-R480 HydrophobicContact CB-CG 3.95Å; V463-R480 PolarHBondContact N-O 3.07Å; V463-R480 PolarHBondContact O-N 2.92Å; E465-R480 IonicContact OE1-CZ 2.76Å; E465-R480 IonicContact OE1-NE 3.98Å; E465-R480 PolarHBondContact OE1-NE 2.85Å; R480-D482 IonicContact CZ-OD2 2.69Å; R480-D482 IonicContact NH1-OD2 3.31Å; R480-D482 PolarHBondContact NH1-OD2 3.18Å; R480-D482 IonicContact NH2-OD2 2.86Å; R480-D482 PolarHBondContact NH2-OD2 2.85Å
481V92.1Very high92.9Very high52 Ų5254.8 Ų54.832%0.31527%0.266SS..EExtended strand (participates in β ladder)trans-77.8139.5172.9177.10000109.6R460 F461 L462 Y483 P763R460-V481 HydrophobicContact CG-CG1 3.43Å; R460-V481 VanDerWaalsContact CG-CG1 3.43Å; F461-V481 WeakPolarHBondContact O-CA 3.09Å; L462-V481 HydrophobicContact CD2-CG2 3.86Å; V481-Y483 HydrophobicContact CG1-CE2 4.28Å; V481-P763 HydrophobicContact CG2-CB 3.76Å; V481-P763 HydrophobicContact CG2-CG 3.37Å
482D94.9Very high92.8Very high34 Ų3455.1 Ų55.118%0.18227%0.272CS..EExtended strand (participates in β ladder)trans-143.4164.5171.8-147.7-35.4000110.6F461 V463 R480 I484F461-D482 WeakPolarHBondContact CD1-O 3.41Å; F461-D482 HydrophobicContact CE1-CB 4.1Å; F461-D482 HydrophobicContact CE2-CB 4.04Å; F461-D482 HydrophobicContact CZ-CB 3.75Å; F461-D482 PolarHBondContact N-O 2.9Å; F461-D482 PolarHBondContact O-N 3.4Å; V463-D482 HydrophobicContact CG2-CB 3.97Å; R480-D482 IonicContact CZ-OD2 2.69Å; R480-D482 IonicContact NH1-OD2 3.31Å; R480-D482 PolarHBondContact NH1-OD2 3.18Å; R480-D482 IonicContact NH2-OD2 2.86Å; R480-D482 PolarHBondContact NH2-OD2 2.85Å; D482-I484 PolarHBondContact OD1-N 3.44Å; D482-I484 VanDerWaalsContact OD1-N 3.14Å
483Y96.1Very high92.8Very high31 Ų3158 Ų5812%0.12228%0.281CS..SBendtrans-124.1-19.9177.8-61.7-85.6000112.3I442 E446 F459 R460 V481I442-Y483 HydrophobicContact CD1-CD1 4.42Å; I442-Y483 HydrophobicContact CD1-CG 4.45Å; I442-Y483 HydrophobicContact CG2-CD1 3.91Å; I442-Y483 HydrophobicContact CG2-CD2 4.38Å; I442-Y483 HydrophobicContact CG2-CE1 3.82Å; I442-Y483 HydrophobicContact CG2-CE2 4.3Å; I442-Y483 HydrophobicContact CG2-CG 4.2Å; E446-Y483 PolarHBondContact OE1-OH 3.45Å; F459-Y483 HydrophobicContact CB-CD1 4.14Å; R460-Y483 HydrophobicContact CB-CD1 4.15Å; R460-Y483 HydrophobicContact CB-CE1 3.69Å; R460-Y483 HydrophobicContact CG-CE1 3.86Å; R460-Y483 PolarHBondContact NE-OH 2.99Å; R460-Y483 VanDerWaalsContact NE-OH 3.13Å; V481-Y483 HydrophobicContact CG1-CE2 4.28Å
484I97.5Very high92.6Very high3 Ų352.1 Ų52.12%0.01526%0.256CS..  trans-136.3126.7-173.8-56-180000110.1Q435 L438 L439 D482 Q486 V564 Q566Q435-I484 HydrophobicContact CG-CD1 3.7Å; L438-I484 HydrophobicContact CD2-CD1 3.88Å; L438-I484 HydrophobicContact CG-CD1 4.43Å; L439-I484 HydrophobicContact CD2-CD1 3.62Å; L439-I484 HydrophobicContact CD2-CG1 4.08Å; L439-I484 HydrophobicContact CG-CD1 3.86Å; D482-I484 PolarHBondContact OD1-N 3.44Å; D482-I484 VanDerWaalsContact OD1-N 3.14Å; I484-Q486 PolarHBondContact O-N 3.47Å; I484-V564 HydrophobicContact CD1-CG1 4.49Å; I484-V564 HydrophobicContact CG1-CB 4.17Å; I484-V564 HydrophobicContact CG1-CG1 4.07Å; I484-V564 HydrophobicContact CG2-CG1 4.19Å; I484-Q566 HydrophobicContact CG2-CB 3.66Å
485V96.4Very high92.5Very high10 Ų1053.2 Ų53.26%0.06128%0.275CS..EExtended strand (participates in β ladder)trans-80.8116.1169.9-179.40000109F461 L487 L530 F556 L563 V564 I565 Q566F461-V485 HydrophobicContact CE1-CG2 4.21Å; F461-V485 HydrophobicContact CE2-CG2 4.21Å; F461-V485 HydrophobicContact CZ-CG2 3.58Å; V485-L487 PolarHBondContact O-N 2.8Å; V485-L530 HydrophobicContact CG1-CD1 4.48Å; V485-L530 HydrophobicContact CG1-CD2 3.64Å; V485-F556 HydrophobicContact CG1-CZ 4.18Å; V485-F556 HydrophobicContact CG2-CE1 3.5Å; V485-F556 HydrophobicContact CG2-CZ 3.55Å; V485-L563 HydrophobicContact CG2-CD1 3.67Å; V485-V564 PolarHBondContact N-O 3.13Å; V485-I565 HydrophobicContact CB-CG1 4.39Å; V485-I565 CarbonylContact O-C 3.58Å; V485-I565 WeakPolarHBondContact O-CA 3.04Å; V485-Q566 PolarHBondContact O-N 2.94Å
486Q95.4Very high92.4Very high90 Ų9053.6 Ų53.642%0.42128%0.277SS..EExtended strand (participates in β ladder)trans-87.6104.2175.7-56.7-170.6-22.300110.4I484 P488 K568I484-Q486 PolarHBondContact O-N 3.47Å; Q486-P488 WeakPolarHBondContact O-CD 3.38Å; Q486-K568 HydrophobicContact CB-CD 3.92Å; Q486-K568 HydrophobicContact CB-CG 4.09Å
487L95.2Very high92.2Very high0 Ų050.6 Ų50.60%027%0.268CS..EExtended strand (participates in β ladder)trans-87.4118.9-174.8-165.371.1000111V485 F523 C526 M527 L530 I565 Q566 I567 K568V485-L487 PolarHBondContact O-N 2.8Å; L487-F523 HydrophobicContact CD2-CD2 4.08Å; L487-F523 HydrophobicContact CD2-CE2 3.67Å; L487-F523 HydrophobicContact CD2-CZ 4.43Å; L487-C526 HydrophobicContact CD1-CB 4.09Å; L487-C526 HydrophobicContact CD2-CB 3.57Å; L487-C526 HydrophobicContact CG-CB 3.71Å; L487-M527 HydrophobicContact CD1-CG 4.44Å; L487-M527 HydrophobicContact CD1-SD 3.49Å; L487-M527 WeakPolarHBondContact CD1-SD 3.29Å; L487-L530 HydrophobicContact CD1-CB 4.26Å; L487-L530 HydrophobicContact CD1-CD2 4.19Å; L487-I565 HydrophobicContact CB-CG2 3.77Å; L487-I565 HydrophobicContact CD2-CG2 4.16Å; L487-I565 HydrophobicContact CG-CG2 4.48Å; L487-Q566 PolarHBondContact N-O 2.98Å; L487-I567 HydrophobicContact CB-CD1 4.21Å; L487-I567 HydrophobicContact CD2-CD1 3.67Å; L487-K568 WeakPolarHBondContact O-CB 3.44Å; L487-K568 WeakPolarHBondContact O-CG 3.43Å; L487-K568 PolarHBondContact O-N 2.77Å
488P94.3Very high92Very high38 Ų3854.6 Ų54.625%0.24729%0.288CS..  trans-69.5153.117729.3-34.1000111.8Q486 P490 C526 A529 L530Q486-P488 WeakPolarHBondContact O-CD 3.38Å; P488-P490 WeakPolarHBondContact O-CD 3.06Å; P488-C526 WeakPolarHBondContact O-CB 2.85Å; P488-C526 PolarHBondContact O-SG 2.64Å; P488-A529 HydrophobicContact CG-CB 3.78Å; P488-L530 HydrophobicContact CG-CB 4.38Å
489V94.3Very high91.8Very high19 Ų1957.9 Ų57.912%0.11530%0.3CS..  trans-11793.6178.8-173.90000109.1M491 I521 I567 L581 V583 I585V489-M491 HydrophobicContact CG1-SD 4.12Å; V489-M491 PolarHBondContact O-N 2.76Å; V489-I521 HydrophobicContact CG1-CG1 3.98Å; V489-I567 HydrophobicContact CG2-CG2 3.5Å; V489-I567 VanDerWaalsContact CG2-CG2 3.5Å; V489-L581 HydrophobicContact CB-CD1 4.42Å; V489-V583 HydrophobicContact CG1-CB 4.49Å; V489-V583 HydrophobicContact CG1-CG1 4.09Å; V489-V583 HydrophobicContact CG1-CG2 4.25Å; V489-I585 HydrophobicContact CG1-CD1 4.25Å; V489-I585 HydrophobicContact CG2-CD1 3.99Å
490P92.4Very high91.4Very high17 Ų1753.5 Ų53.511%0.1128%0.28CS..  trans-74.995179.629.9-33.2000110.4P488 D492 Q493 I521 A525 A529P488-P490 WeakPolarHBondContact O-CD 3.06Å; P490-D492 WeakPolarHBondContact CB-OD1 3.4Å; P490-D492 PolarHBondContact O-N 2.83Å; P490-Q493 HydrophobicContact CB-CB 4.43Å; P490-Q493 HydrophobicContact CB-CG 4.24Å; P490-Q493 HydrophobicContact CG-CB 4.36Å; P490-Q493 HydrophobicContact CG-CG 4.48Å; P490-Q493 PolarHBondContact O-N 2.86Å; P490-Q493 VanDerWaalsContact O-N 3.08Å; P490-I521 HydrophobicContact CG-CG2 4.42Å; P490-A525 HydrophobicContact CG-CB 4.19Å; P490-A529 HydrophobicContact CG-CB 4.31Å
491M89.2Confident91.1Very high77 Ų7753.8 Ų53.838%0.37928%0.284SS..G310 helixtrans-62.6-24.8-177.4-68.4-62.4-64.300113.5V489 Q493 A494 A519 L581 V583V489-M491 HydrophobicContact CG1-SD 4.12Å; V489-M491 PolarHBondContact O-N 2.76Å; M491-Q493 PolarHBondContact O-N 2.74Å; M491-A494 WeakPolarHBondContact O-CB 3.48Å; M491-A494 PolarHBondContact O-N 3.08Å; M491-A519 HydrophobicContact CE-CB 3.79Å; M491-L581 HydrophobicContact CG-CD1 4.16Å; M491-L581 HydrophobicContact CG-CD2 4.38Å; M491-L581 HydrophobicContact SD-CB 4.44Å; M491-L581 HydrophobicContact SD-CD1 4.09Å; M491-L581 HydrophobicContact SD-CD2 4.28Å; M491-V583 HydrophobicContact CE-CG1 4.11Å; M491-V583 HydrophobicContact SD-CG1 3.53Å; M491-V583 VanDerWaalsContact SD-CG1 3.53Å
492D89.1Confident90.7Very high132 Ų13253.9 Ų53.971%0.70628%0.281SS*.G310 helixtrans-69.9-18.217661.8-54.5000113.3P490P490-D492 WeakPolarHBondContact CB-OD1 3.4Å; P490-D492 PolarHBondContact O-N 2.83Å
493Q89.3Confident89.9Confident92 Ų9253 Ų5343%0.4328%0.278SS..G310 helixtrans-97.621.4177.4-59.4-164.227.400113.1P490 M491 A495 A525P490-Q493 HydrophobicContact CB-CB 4.43Å; P490-Q493 HydrophobicContact CB-CG 4.24Å; P490-Q493 HydrophobicContact CG-CB 4.36Å; P490-Q493 HydrophobicContact CG-CG 4.48Å; P490-Q493 PolarHBondContact O-N 2.86Å; P490-Q493 VanDerWaalsContact O-N 3.08Å; M491-Q493 PolarHBondContact O-N 2.74Å; Q493-A495 PolarHBondContact O-N 2.86Å; Q493-A525 HydrophobicContact CB-CB 4.19Å
494A89.8Confident89Confident11 Ų1156.8 Ų56.89%0.09130%0.297CS..  trans-66.7125.4177.600000112.2M491 N496 T497 A519 Q520 I521M491-A494 WeakPolarHBondContact O-CB 3.48Å; M491-A494 PolarHBondContact O-N 3.08Å; A494-N496 VanDerWaalsContact C-N 3.26Å; A494-N496 PolarHBondContact O-N 2.67Å; A494-T497 PolarHBondContact O-OG1 2.78Å; A494-A519 HydrophobicContact CB-CB 4.37Å; A494-Q520 WeakPolarHBondContact CA-O 3.21Å; A494-I521 HydrophobicContact CB-CD1 3.54Å
495A90.4Very high88.2Confident76 Ų7662.3 Ų62.363%0.62832%0.318SS*.THydrogen-bonded Turntrans-66.5-27.2-177.200000113.2Q493 Q520Q493-A495 PolarHBondContact O-N 2.86Å; A495-Q520 HydrophobicContact CB-CB 4.45Å; A495-Q520 PolarHBondContact N-O 2.94Å
496N91Very high87.3Confident11 Ų1166.6 Ų66.66%0.05933%0.333CS..THydrogen-bonded Turntrans-115.837-175.267.7-28.2000113.2A494 E498 E499 L500 R518 Q520A494-N496 VanDerWaalsContact C-N 3.26Å; A494-N496 PolarHBondContact O-N 2.67Å; N496-E498 VanDerWaalsContact C-N 3.27Å; N496-E498 PolarHBondContact O-N 3.49Å; N496-E499 HydrophobicContact CB-CB 4.35Å; N496-E499 HydrophobicContact CB-CG 4.49Å; N496-E499 PolarHBondContact O-N 2.82Å; N496-E499 VanDerWaalsContact O-N 3.14Å; N496-L500 PolarHBondContact O-N 3.45Å; N496-L500 VanDerWaalsContact O-N 3.11Å; N496-R518 PolarHBondContact ND2-O 3.43Å; N496-Q520 PolarHBondContact OD1-N 2.66Å
497T85.8Confident86.2Confident48 Ų4869.3 Ų69.329%0.29434%0.339SS..Hα-helixtrans-54.5-38-176.4-62.30000113.6A494 K501A494-T497 PolarHBondContact O-OG1 2.78Å; T497-K501 HydrophobicContact CG2-CD 4.47Å; T497-K501 WeakPolarHBondContact O-CG 3.4Å; T497-K501 PolarHBondContact O-N 2.8Å
498E86.8Confident85.1Confident131 Ų13177.3 Ų77.361%0.61238%0.377SS*.Hα-helixtrans-73.5-35.2-179.4-64.2-57.311600112.8N496 K501 E502N496-E498 VanDerWaalsContact C-N 3.27Å; N496-E498 PolarHBondContact O-N 3.49Å; E498-K501 IonicContact OE1-NZ 3.09Å; E498-K501 PolarHBondContact OE1-NZ 3.42Å; E498-E502 PolarHBondContact O-N 3.44Å; E498-E502 VanDerWaalsContact O-N 3.16Å
499E86.3Confident84.3Confident120 Ų12081.8 Ų81.856%0.56140%0.395SS*.Hα-helixtrans-67.8-38.8175.9-62.2178.7175.600111.4N496 E502 A503 V517N496-E499 HydrophobicContact CB-CB 4.35Å; N496-E499 HydrophobicContact CB-CG 4.49Å; N496-E499 PolarHBondContact O-N 2.82Å; N496-E499 VanDerWaalsContact O-N 3.14Å; E499-E502 PolarHBondContact O-N 2.89Å; E499-A503 WeakPolarHBondContact O-CB 3.14Å; E499-A503 PolarHBondContact O-N 2.9Å; E499-V517 HydrophobicContact CB-CG1 4.27Å
500L83.4Confident82.9Confident26 Ų2683.9 Ų83.914%0.13642%0.42CS..Hα-helixtrans-59.8-51.6174.3-86.8170.8000112.2N496 E502 A503 E504 V517 A519N496-L500 PolarHBondContact O-N 3.45Å; N496-L500 VanDerWaalsContact O-N 3.11Å; L500-E502 VanDerWaalsContact C-N 3.28Å; L500-E502 PolarHBondContact O-N 3.03Å; L500-A503 PolarHBondContact O-N 2.76Å; L500-A503 VanDerWaalsContact O-N 3.15Å; L500-E504 WeakPolarHBondContact O-CB 3.38Å; L500-E504 WeakPolarHBondContact O-CG 3.4Å; L500-E504 PolarHBondContact O-N 3.25Å; L500-V517 HydrophobicContact CD2-CG1 4.24Å; L500-V517 WeakPolarHBondContact CD2-O 3.14Å; L500-V517 HydrophobicContact CG-CG1 4.4Å; L500-A519 HydrophobicContact CD1-CB 3.56Å
501K82.9Confident81.8Confident111 Ų11186 Ų8648%0.48343%0.43SS..Hα-helixtrans-59.8-40179.8-70.8171.8-172.2161.90112T497 E498 R505T497-K501 HydrophobicContact CG2-CD 4.47Å; T497-K501 WeakPolarHBondContact O-CG 3.4Å; T497-K501 PolarHBondContact O-N 2.8Å; E498-K501 IonicContact OE1-NZ 3.09Å; E498-K501 PolarHBondContact OE1-NZ 3.42Å; K501-R505 WeakPolarHBondContact O-CB 3.5Å; K501-R505 PolarHBondContact O-N 3.42Å
502E84.2Confident80.2Confident54 Ų5488.4 Ų88.425%0.25246%0.455SS..Hα-helixtrans-66.3-41.4176.8177.763.4-162.600111.6E498 E499 L500 R505 R506E498-E502 PolarHBondContact O-N 3.44Å; E498-E502 VanDerWaalsContact O-N 3.16Å; E499-E502 PolarHBondContact O-N 2.89Å; L500-E502 VanDerWaalsContact C-N 3.28Å; L500-E502 PolarHBondContact O-N 3.03Å; E502-R505 PolarHBondContact O-N 3.46Å; E502-R505 IonicContact OE1-CZ 3.14Å; E502-R505 IonicContact OE1-NH2 3.9Å; E502-R505 PolarHBondContact OE1-NH2 3.19Å; E502-R505 IonicContact OE2-CZ 3.92Å; E502-R505 IonicContact OE2-NE 3.82Å; E502-R505 IonicContact OE2-NH1 2.8Å; E502-R505 PolarHBondContact OE2-NH1 2.98Å; E502-R505 IonicContact OE2-NH2 3.96Å; E502-R505 PolarHBondContact OE2-NH2 3.46Å; E502-R506 WeakPolarHBondContact O-CG 3.4Å; E502-R506 PolarHBondContact O-N 3.13Å; E502-R506 IonicContact OE1-CZ 2.63Å; E502-R506 VanDerWaalsContact OE1-CZ 3.23Å; E502-R506 IonicContact OE1-NE 2.91Å; E502-R506 PolarHBondContact OE1-NE 2.96Å; E502-R506 IonicContact OE1-NH2 2.77Å; E502-R506 PolarHBondContact OE1-NH2 3.3Å
503A78.3Confident78.8Confident15 Ų1586.7 Ų86.712%0.12445%0.453CS..Hα-helixtrans-67.5-40.3176.900000112.4E499 L500 R506 R507 V517E499-A503 WeakPolarHBondContact O-CB 3.14Å; E499-A503 PolarHBondContact O-N 2.9Å; L500-A503 PolarHBondContact O-N 2.76Å; L500-A503 VanDerWaalsContact O-N 3.15Å; A503-R506 PolarHBondContact O-N 2.91Å; A503-R507 PolarHBondContact O-N 3.46Å; A503-V517 HydrophobicContact CB-CB 3.89Å; A503-V517 HydrophobicContact CB-CG2 3.76Å
504E77.1Confident77.3Confident111 Ų11183.2 Ų83.252%0.51944%0.44SS..Hα-helixtrans-62.3-45.9173.7-73.9179.4158.500111L500 R506 R507 E508L500-E504 WeakPolarHBondContact O-CB 3.38Å; L500-E504 WeakPolarHBondContact O-CG 3.4Å; L500-E504 PolarHBondContact O-N 3.25Å; E504-R506 PolarHBondContact O-N 3.15Å; E504-R507 WeakPolarHBondContact O-CB 3.31Å; E504-R507 PolarHBondContact O-N 3.21Å; E504-R507 VanDerWaalsContact O-N 3.16Å; E504-E508 WeakPolarHBondContact O-CG 3.33Å; E504-E508 PolarHBondContact O-N 3.46Å
505R80.4Confident76Confident120 Ų12086.9 Ų86.945%0.45346%0.462SS..Hα-helixtrans-58.7-45.5176.2-166.5-170.875.1-148.9-12.4111.9K501 E502 R507 E508 E509K501-R505 WeakPolarHBondContact O-CB 3.5Å; K501-R505 PolarHBondContact O-N 3.42Å; E502-R505 PolarHBondContact O-N 3.46Å; E502-R505 IonicContact OE1-CZ 3.14Å; E502-R505 IonicContact OE1-NH2 3.9Å; E502-R505 PolarHBondContact OE1-NH2 3.19Å; E502-R505 IonicContact OE2-CZ 3.92Å; E502-R505 IonicContact OE2-NE 3.82Å; E502-R505 IonicContact OE2-NH1 2.8Å; E502-R505 PolarHBondContact OE2-NH1 2.98Å; E502-R505 IonicContact OE2-NH2 3.96Å; E502-R505 PolarHBondContact OE2-NH2 3.46Å; R505-R507 VanDerWaalsContact C-N 3.31Å; R505-R507 PolarHBondContact O-N 3.31Å; R505-E508 PolarHBondContact O-N 3.09Å; R505-E509 WeakPolarHBondContact CG-OE1 3.44Å; R505-E509 IonicContact NE-OE1 2.66Å; R505-E509 PolarHBondContact NE-OE1 3.28Å; R505-E509 WeakPolarHBondContact O-CB 3.2Å; R505-E509 VanDerWaalsContact O-CG 3.28Å; R505-E509 WeakPolarHBondContact O-CG 3.31Å; R505-E509 PolarHBondContact O-N 2.84Å
506R78.5Confident74.9Confident99 Ų9986.1 Ų86.137%0.37445%0.45SS..Hα-helixtrans-63.8-35.8177.6-72.5-176.5-166.2170.85.6112.6E502 A503 E504 E509 G510 D511 A514E502-R506 WeakPolarHBondContact O-CG 3.4Å; E502-R506 PolarHBondContact O-N 3.13Å; E502-R506 IonicContact OE1-CZ 2.63Å; E502-R506 VanDerWaalsContact OE1-CZ 3.23Å; E502-R506 IonicContact OE1-NE 2.91Å; E502-R506 PolarHBondContact OE1-NE 2.96Å; E502-R506 IonicContact OE1-NH2 2.77Å; E502-R506 PolarHBondContact OE1-NH2 3.3Å; A503-R506 PolarHBondContact O-N 2.91Å; E504-R506 PolarHBondContact O-N 3.15Å; R506-E509 PolarHBondContact O-N 2.66Å; R506-G510 PolarHBondContact O-N 3.22Å; R506-D511 HydrophobicContact CB-CB 4.37Å; R506-D511 WeakPolarHBondContact O-CB 3.35Å; R506-D511 PolarHBondContact O-N 2.85Å; R506-A514 HydrophobicContact CB-CB 4.03Å
507R71.3Confident74.3Confident147 Ų14787.5 Ų87.556%0.55546%0.459SS*.Hα-helixtrans-65.2-44.5173-93.7-178.1167.2177.5-3111.9A503 E504 R505 E509 G510A503-R507 PolarHBondContact O-N 3.46Å; E504-R507 WeakPolarHBondContact O-CB 3.31Å; E504-R507 PolarHBondContact O-N 3.21Å; E504-R507 VanDerWaalsContact O-N 3.16Å; R505-R507 VanDerWaalsContact C-N 3.31Å; R505-R507 PolarHBondContact O-N 3.31Å; R507-E509 VanDerWaalsContact C-N 3.26Å; R507-E509 PolarHBondContact O-N 2.82Å; R507-G510 PolarHBondContact O-N 3.13Å
508E71.9Confident74.3Confident169 Ų16987.4 Ų87.479%0.7945%0.453SS*.Hα-helixtrans-63.2-33.6176.1-71.7-179.6170.500112.3E504 R505 G510E504-E508 WeakPolarHBondContact O-CG 3.33Å; E504-E508 PolarHBondContact O-N 3.46Å; R505-E508 PolarHBondContact O-N 3.09Å; E508-G510 PolarHBondContact O-N 3.23Å
509E78.2Confident74.3Confident132 Ų13281.2 Ų81.262%0.61743%0.425SS*.THydrogen-bonded Turntrans-73.7-3.9173.5-70.6169179.200113.4R505 R506 R507R505-E509 WeakPolarHBondContact CG-OE1 3.44Å; R505-E509 IonicContact NE-OE1 2.66Å; R505-E509 PolarHBondContact NE-OE1 3.28Å; R505-E509 WeakPolarHBondContact O-CB 3.2Å; R505-E509 VanDerWaalsContact O-CG 3.28Å; R505-E509 WeakPolarHBondContact O-CG 3.31Å; R505-E509 PolarHBondContact O-N 2.84Å; R506-E509 PolarHBondContact O-N 2.66Å; R507-E509 VanDerWaalsContact C-N 3.26Å; R507-E509 PolarHBondContact O-N 2.82Å
510G63.9Low74.6Confident62 Ų6280.3 Ų80.364%0.63942%0.42SS*.THydrogen-bonded Turntrans82.916.7175.800000115R506 R507 E508 S512R506-G510 PolarHBondContact O-N 3.22Å; R507-G510 PolarHBondContact O-N 3.13Å; E508-G510 PolarHBondContact O-N 3.23Å; G510-S512 PolarHBondContact O-N 3.42Å
511D69.1Low75Confident63 Ų6379.2 Ų79.234%0.33741%0.414SS..  trans-74.995.7176.9-176.29.2000111.4R506 S513 A514R506-D511 HydrophobicContact CB-CB 4.37Å; R506-D511 WeakPolarHBondContact O-CB 3.35Å; R506-D511 PolarHBondContact O-N 2.85Å; D511-S513 PolarHBondContact O-N 2.9Å; D511-S513 VanDerWaalsContact O-N 3.14Å; D511-S513 WeakPolarHBondContact OD1-CB 3.29Å; D511-S513 PolarHBondContact OD1-N 3.34Å; D511-S513 PolarHBondContact OD1-OG 3.49Å; D511-S513 PolarHBondContact OD2-OG 2.98Å; D511-A514 WeakPolarHBondContact O-CB 3.46Å; D511-A514 PolarHBondContact O-N 3.21Å
512S56.2Low75.6Confident127 Ų12776.4 Ų76.489%0.88841%0.408SS*.THydrogen-bonded Turntrans-64.3-9.9175.561.80000115G510G510-S512 PolarHBondContact O-N 3.42Å
513S59.1Low76Confident96 Ų9674.8 Ų74.867%0.67140%0.4SS*.THydrogen-bonded Turntrans-94.6-4178.3750000114D511D511-S513 PolarHBondContact O-N 2.9Å; D511-S513 VanDerWaalsContact O-N 3.14Å; D511-S513 WeakPolarHBondContact OD1-CB 3.29Å; D511-S513 PolarHBondContact OD1-N 3.34Å; D511-S513 PolarHBondContact OD1-OG 3.49Å; D511-S513 PolarHBondContact OD2-OG 2.98Å
514A59.2Low76.7Confident18 Ų1878.2 Ų78.215%0.14942%0.423CS..  trans-64.5129.9-178.400000111.6R506 D511R506-A514 HydrophobicContact CB-CB 4.03Å; D511-A514 WeakPolarHBondContact O-CB 3.46Å; D511-A514 PolarHBondContact O-N 3.21Å
515P61Low77.5Confident88 Ų8873.2 Ų73.257%0.57140%0.401SS*.  trans-63.3143.8177.725.7-32.4000110.6V517P515-V517 PolarHBondContact O-N 2.93Å
516T67.3Low78.2Confident60 Ų6067.5 Ų67.537%0.36838%0.379SS..  trans-75108.6175.8-48.40000108.8
517V79.8Confident78.8Confident40 Ų4063.8 Ų63.824%0.24237%0.366CS..  trans-102131.5179-177.40000109.2E499 L500 A503 P515E499-V517 HydrophobicContact CB-CG1 4.27Å; L500-V517 HydrophobicContact CD2-CG1 4.24Å; L500-V517 WeakPolarHBondContact CD2-O 3.14Å; L500-V517 HydrophobicContact CG-CG1 4.4Å; A503-V517 HydrophobicContact CB-CB 3.89Å; A503-V517 HydrophobicContact CB-CG2 3.76Å; P515-V517 PolarHBondContact O-N 2.93Å
518R84.6Confident79.8Confident46 Ų4659.1 Ų59.117%0.17436%0.359CS..  trans-104.3155.1178-64.9-170178.880.114.4111.7E304 N496 Q520 D582E304-R518 IonicContact OE1-NE 3.88Å; E304-R518 IonicContact OE1-NH2 3.59Å; E304-R518 PolarHBondContact OE1-NH2 3.12Å; N496-R518 PolarHBondContact ND2-O 3.43Å; R518-Q520 PolarHBondContact O-N 3.5Å; R518-D582 WeakPolarHBondContact CD-OD1 3.24Å; R518-D582 WeakPolarHBondContact CG-OD1 3.19Å; R518-D582 IonicContact NE-OD1 3.13Å; R518-D582 PolarHBondContact NE-OD1 3.37Å; R518-D582 IonicContact NE-OD2 3.06Å
519A87.9Confident80.8Confident2 Ų252.3 Ų52.32%0.01733%0.332CS..EExtended strand (participates in β ladder)trans-70.3118.7171.200000109.9M491 A494 L500 I521 D582 V583 S584M491-A519 HydrophobicContact CE-CB 3.79Å; A494-A519 HydrophobicContact CB-CB 4.37Å; L500-A519 HydrophobicContact CD1-CB 3.56Å; A519-I521 HydrophobicContact CB-CD1 4.14Å; A519-I521 PolarHBondContact O-N 3.48Å; A519-D582 PolarHBondContact N-O 3.41Å; A519-V583 HydrophobicContact CB-CG1 4.09Å; A519-V583 CarbonylContact O-C 3.59Å; A519-V583 WeakPolarHBondContact O-CA 3.2Å; A519-S584 PolarHBondContact O-N 2.98Å
520Q91.8Very high81.4Confident100 Ų10048 Ų4847%0.46731%0.312SS..EExtended strand (participates in β ladder)trans-89105.1175.5-68.9-178.2-4.200109A494 A495 N496 R518 S584A494-Q520 WeakPolarHBondContact CA-O 3.21Å; A495-Q520 HydrophobicContact CB-CB 4.45Å; A495-Q520 PolarHBondContact N-O 2.94Å; N496-Q520 PolarHBondContact OD1-N 2.66Å; R518-Q520 PolarHBondContact O-N 3.5Å; Q520-S584 WeakPolarHBondContact CA-O 3.38Å
521I93.4Very high82.6Confident3 Ų346.1 Ų46.12%0.01529%0.29CS..EExtended strand (participates in β ladder)trans-103.9122.3179.2-48.4-55.9000108.8V489 P490 A494 A519 F523 V583 S584 I585V489-I521 HydrophobicContact CG1-CG1 3.98Å; P490-I521 HydrophobicContact CG-CG2 4.42Å; A494-I521 HydrophobicContact CB-CD1 3.54Å; A519-I521 HydrophobicContact CB-CD1 4.14Å; A519-I521 PolarHBondContact O-N 3.48Å; I521-F523 PolarHBondContact O-N 3.15Å; I521-V583 HydrophobicContact CG1-CB 4.42Å; I521-V583 HydrophobicContact CG1-CG1 4.44Å; I521-S584 PolarHBondContact N-O 3.03Å; I521-I585 HydrophobicContact CB-CG1 4.22Å; I521-I585 WeakPolarHBondContact O-CA 3.33Å
522P94Very high83.7Confident53 Ų5349.2 Ų49.234%0.34430%0.302SS..  trans-63.4131.6173.6-21.833.3000111.3S524 A525 C526P522-S524 PolarHBondContact O-N 3.38Å; P522-S524 VanDerWaalsContact O-N 3.16Å; P522-A525 HydrophobicContact CB-CB 4.39Å; P522-A525 VanDerWaalsContact O-CB 3.3Å; P522-A525 WeakPolarHBondContact O-CB 3.4Å; P522-A525 PolarHBondContact O-N 3.39Å; P522-C526 PolarHBondContact O-N 2.84Å
523F93.7Very high85.4Confident19 Ų1947 Ų478%0.08329%0.285CS..Hα-helixtrans-57.7-32.9177.8179.2-93.1000113L487 I521 A525 C526 M527 I565 I585 D586 V587 P588 L591L487-F523 HydrophobicContact CD2-CD2 4.08Å; L487-F523 HydrophobicContact CD2-CE2 3.67Å; L487-F523 HydrophobicContact CD2-CZ 4.43Å; I521-F523 PolarHBondContact O-N 3.15Å; F523-A525 VanDerWaalsContact C-N 3.27Å; F523-A525 PolarHBondContact O-N 2.72Å; F523-C526 WeakPolarHBondContact O-CB 3.31Å; F523-C526 PolarHBondContact O-N 3.34Å; F523-M527 HydrophobicContact CD1-CG 3.84Å; F523-M527 HydrophobicContact CE1-CG 3.32Å; F523-M527 HydrophobicContact CE1-SD 3.82Å; F523-M527 HydrophobicContact CE2-SD 4.42Å; F523-M527 HydrophobicContact CZ-CG 3.73Å; F523-M527 HydrophobicContact CZ-SD 3.61Å; F523-M527 WeakPolarHBondContact O-CG 3.1Å; F523-M527 PolarHBondContact O-N 3.26Å; F523-I565 HydrophobicContact CZ-CD1 4.46Å; F523-I585 HydrophobicContact CB-CG2 4.1Å; F523-I585 HydrophobicContact CD2-CG2 4.21Å; F523-D586 VanDerWaalsContact CB-O 3.25Å; F523-D586 WeakPolarHBondContact CB-O 3.46Å; F523-V587 HydrophobicContact CD2-CG2 4.09Å; F523-V587 HydrophobicContact CE2-CG2 4.49Å; F523-P588 HydrophobicContact CD1-CG 3.8Å; F523-P588 HydrophobicContact CE1-CG 3.89Å; F523-P588 HydrophobicContact CG-CG 4.36Å; F523-P588 HydrophobicContact CZ-CG 4.48Å; F523-L591 HydrophobicContact CE1-CD1 3.47Å; F523-L591 VanDerWaalsContact CE1-CD1 3.47Å; F523-L591 HydrophobicContact CZ-CD1 3.88Å; F523-L591 HydrophobicContact CZ-CD2 4.35Å
524S92.7Very high87Confident88 Ų8847.8 Ų47.862%0.61528%0.278SS*.Hα-helixtrans-61.5-33.2174.756.80000113.3P522 M527 A528P522-S524 PolarHBondContact O-N 3.38Å; P522-S524 VanDerWaalsContact O-N 3.16Å; S524-M527 PolarHBondContact O-N 3.16Å; S524-A528 WeakPolarHBondContact O-CB 3.27Å; S524-A528 PolarHBondContact O-N 3.36Å
525A93.6Very high88.6Confident5 Ų552.8 Ų52.84%0.04130%0.299CS..Hα-helixtrans-67.9-43.6176.300000110.9P490 Q493 P522 F523 M527 A528 A529P490-A525 HydrophobicContact CG-CB 4.19Å; Q493-A525 HydrophobicContact CB-CB 4.19Å; P522-A525 HydrophobicContact CB-CB 4.39Å; P522-A525 VanDerWaalsContact O-CB 3.3Å; P522-A525 WeakPolarHBondContact O-CB 3.4Å; P522-A525 PolarHBondContact O-N 3.39Å; F523-A525 VanDerWaalsContact C-N 3.27Å; F523-A525 PolarHBondContact O-N 2.72Å; A525-M527 VanDerWaalsContact C-N 3.34Å; A525-M527 PolarHBondContact O-N 3.08Å; A525-A528 PolarHBondContact O-N 2.99Å; A525-A529 WeakPolarHBondContact O-CB 3.48Å; A525-A529 PolarHBondContact O-N 2.93Å
526C94.3Very high89.9Confident0 Ų050.7 Ų50.70%028%0.283CS..Hα-helixtrans-58.9-43.8173.9-67.30000112.4L487 P488 P522 F523 A529 L530L487-C526 HydrophobicContact CD1-CB 4.09Å; L487-C526 HydrophobicContact CD2-CB 3.57Å; L487-C526 HydrophobicContact CG-CB 3.71Å; P488-C526 WeakPolarHBondContact O-CB 2.85Å; P488-C526 PolarHBondContact O-SG 2.64Å; P522-C526 PolarHBondContact O-N 2.84Å; F523-C526 WeakPolarHBondContact O-CB 3.31Å; F523-C526 PolarHBondContact O-N 3.34Å; C526-A529 PolarHBondContact O-N 3.39Å; C526-L530 PolarHBondContact O-N 2.79Å; C526-L530 VanDerWaalsContact O-N 3.08Å
527M92.4Very high90.9Very high22 Ų2253.4 Ų53.411%0.10830%0.3CS..Hα-helixtrans-67.8-38.2177-68.8-57.5-51.800112.8L487 F523 S524 A525 L530 S531 L593 L596L487-M527 HydrophobicContact CD1-CG 4.44Å; L487-M527 HydrophobicContact CD1-SD 3.49Å; L487-M527 WeakPolarHBondContact CD1-SD 3.29Å; F523-M527 HydrophobicContact CD1-CG 3.84Å; F523-M527 HydrophobicContact CE1-CG 3.32Å; F523-M527 HydrophobicContact CE1-SD 3.82Å; F523-M527 HydrophobicContact CE2-SD 4.42Å; F523-M527 HydrophobicContact CZ-CG 3.73Å; F523-M527 HydrophobicContact CZ-SD 3.61Å; F523-M527 WeakPolarHBondContact O-CG 3.1Å; F523-M527 PolarHBondContact O-N 3.26Å; S524-M527 PolarHBondContact O-N 3.16Å; A525-M527 VanDerWaalsContact C-N 3.34Å; A525-M527 PolarHBondContact O-N 3.08Å; M527-L530 HydrophobicContact CE-CD2 4.17Å; M527-L530 PolarHBondContact O-N 3.29Å; M527-S531 PolarHBondContact O-N 3.03Å; M527-S531 PolarHBondContact O-OG 2.83Å; M527-L593 HydrophobicContact CE-CD2 3.39Å; M527-L593 HydrophobicContact SD-CD2 4.47Å; M527-L596 HydrophobicContact CE-CD1 3.44Å; M527-L596 VanDerWaalsContact CE-CD1 3.44Å
528A91.8Very high91.1Very high49 Ų4956.5 Ų56.541%0.40532%0.315SS..Hα-helixtrans-62-47.917500000110.6S524 A525 L530 S531 E532S524-A528 WeakPolarHBondContact O-CB 3.27Å; S524-A528 PolarHBondContact O-N 3.36Å; A525-A528 PolarHBondContact O-N 2.99Å; A528-L530 VanDerWaalsContact C-N 3.29Å; A528-L530 PolarHBondContact O-N 3.24Å; A528-S531 CarbonylContact O-C 3.56Å; A528-S531 PolarHBondContact O-N 3.42Å; A528-S531 PolarHBondContact O-OG 3.12Å; A528-E532 PolarHBondContact O-N 3.29Å
529A92.3Very high91.1Very high26 Ų2656.4 Ų56.422%0.21532%0.316CS..Hα-helixtrans-60.5-34177.600000113P488 P490 A525 C526 S531P488-A529 HydrophobicContact CG-CB 3.78Å; P490-A529 HydrophobicContact CG-CB 4.31Å; A525-A529 WeakPolarHBondContact O-CB 3.48Å; A525-A529 PolarHBondContact O-N 2.93Å; C526-A529 PolarHBondContact O-N 3.39Å; A529-S531 VanDerWaalsContact C-N 3.28Å; A529-S531 PolarHBondContact O-N 2.86Å
530L91.1Very high90.9Very high40 Ų4060 Ų6021%0.20933%0.329CS..Hα-helixtrans-62.8-35.3173.5-179.666.9000112.7V485 L487 P488 C526 M527 A528V485-L530 HydrophobicContact CG1-CD1 4.48Å; V485-L530 HydrophobicContact CG1-CD2 3.64Å; L487-L530 HydrophobicContact CD1-CB 4.26Å; L487-L530 HydrophobicContact CD1-CD2 4.19Å; P488-L530 HydrophobicContact CG-CB 4.38Å; C526-L530 PolarHBondContact O-N 2.79Å; C526-L530 VanDerWaalsContact O-N 3.08Å; M527-L530 HydrophobicContact CE-CD2 4.17Å; M527-L530 PolarHBondContact O-N 3.29Å; A528-L530 VanDerWaalsContact C-N 3.29Å; A528-L530 PolarHBondContact O-N 3.24Å
531S89.1Confident90.4Very high24 Ų2455.2 Ų55.217%0.16831%0.307CS..Hα-helixtrans-97.4-1.9-175.671.60000114.1M527 A528 A529M527-S531 PolarHBondContact O-N 3.03Å; M527-S531 PolarHBondContact O-OG 2.83Å; A528-S531 CarbonylContact O-C 3.56Å; A528-S531 PolarHBondContact O-N 3.42Å; A528-S531 PolarHBondContact O-OG 3.12Å; A529-S531 VanDerWaalsContact C-N 3.28Å; A529-S531 PolarHBondContact O-N 2.86Å
532E91.8Very high89.9Confident128 Ų12856.5 Ų56.560%0.59832%0.316SS*.SBendtrans-67134.1-177.2-171.2169.7-167.400110.2A528 E534A528-E532 PolarHBondContact O-N 3.29Å; E532-E534 PolarHBondContact O-N 2.92Å
533P92.3Very high89.4Confident79 Ų7955.6 Ų55.651%0.51331%0.313SS..PPolyproline II helixtrans-65.5117.6176.9-18.631000111.4T551 K552P533-T551 HydrophobicContact CB-CG2 3.39Å; P533-K552 CarbonylContact C-O 3.55Å; P533-K552 WeakPolarHBondContact CA-O 3.35Å
534E92.1Very high88.9Confident114 Ų11457.1 Ų57.153%0.53332%0.324SS..EExtended strand (participates in β ladder)trans-83.1133.2177.2-175.2-175.5178.900110.1E532 L536 T551 K552E532-E534 PolarHBondContact O-N 2.92Å; E534-L536 HydrophobicContact CG-CD2 4.45Å; E534-T551 CarbonylContact O-C 3.58Å; E534-T551 WeakPolarHBondContact O-CA 3.42Å; E534-K552 HydrophobicContact CB-CB 4.47Å; E534-K552 PolarHBondContact N-O 3.05Å; E534-K552 PolarHBondContact O-N 2.91Å
535M92.9Very high88.3Confident122 Ų12259.3 Ų59.360%0.60132%0.324SS*.EExtended strand (participates in β ladder)trans-89.1115.1175.1-169.3179.2-59.200110.2
536L90.1Very high87.6Confident45 Ų4560.8 Ų60.824%0.23634%0.337CS..EExtended strand (participates in β ladder)trans-88.4114.1172.5-57.1-180000109E534 S549 A550 K552E534-L536 HydrophobicContact CG-CD2 4.45Å; L536-S549 WeakPolarHBondContact O-CA 3.33Å; L536-A550 HydrophobicContact CB-CB 4.42Å; L536-A550 PolarHBondContact N-O 3.07Å; L536-A550 PolarHBondContact O-N 3.09Å; L536-K552 HydrophobicContact CD1-CB 3.97Å; L536-K552 HydrophobicContact CD1-CD 4.49Å; L536-K552 HydrophobicContact CG-CB 4.13Å
537T86.8Confident87Confident117 Ų11765.4 Ų65.472%0.71836%0.357SS*.EExtended strand (participates in β ladder)trans-84.2146.9168.554.30000109.4F539T537-F539 PolarHBondContact O-N 3Å
538D85.5Confident86.8Confident105 Ų10564.9 Ų64.956%0.56136%0.355SS*.EExtended strand (participates in β ladder)trans65.234.7178.7-155.728.3000115.4K547 T548D538-K547 WeakPolarHBondContact OD1-CD 3.47Å; D538-K547 WeakPolarHBondContact OD1-CE 3.28Å; D538-K547 WeakPolarHBondContact OD1-CG 3.49Å; D538-K547 IonicContact OD1-NZ 3.09Å; D538-K547 PolarHBondContact OD1-NZ 3.12Å; D538-K547 IonicContact OD2-NZ 2.76Å; D538-K547 PolarHBondContact OD2-NZ 3.4Å; D538-T548 PolarHBondContact N-O 2.92Å
539F83.9Confident86.8Confident43 Ų4364.1 Ų64.119%0.18935%0.347CS..EExtended strand (participates in β ladder)trans-79.9127.4175.3172.3-101.6000112I467 C469 T537 S541 K547 T548 A550 L608I467-F539 HydrophobicContact CG2-CD2 4.43Å; I467-F539 HydrophobicContact CG2-CE1 4.47Å; I467-F539 HydrophobicContact CG2-CE2 3.89Å; I467-F539 HydrophobicContact CG2-CZ 3.9Å; C469-F539 HydrophobicContact CB-CE1 4.41Å; T537-F539 PolarHBondContact O-N 3Å; F539-S541 PolarHBondContact O-N 3.49Å; F539-K547 CarbonylContact O-C 3.56Å; F539-K547 WeakPolarHBondContact O-CA 3.28Å; F539-T548 HydrophobicContact CD1-CG2 4.06Å; F539-T548 PolarHBondContact N-O 3.48Å; F539-T548 WeakPolarHBondContact O-CG2 3.48Å; F539-T548 PolarHBondContact O-N 3.12Å; F539-A550 HydrophobicContact CB-CB 3.82Å; F539-A550 HydrophobicContact CD1-CB 3.51Å; F539-A550 HydrophobicContact CD2-CB 4.16Å; F539-A550 HydrophobicContact CE1-CB 4.06Å; F539-A550 HydrophobicContact CG-CB 3.55Å; F539-L608 HydrophobicContact CE1-CD1 4.31Å; F539-L608 HydrophobicContact CZ-CD1 4.06Å
540W82.7Confident86.8Confident78 Ų7862.9 Ų62.930%0.29534%0.337SS..EExtended strand (participates in β ladder)trans-76.4118.6171.7-179.5-98.8000111.8Q545 K547 D671W540-Q545 VanDerWaalsContact CH2-C 3.46Å; W540-Q545 WeakPolarHBondContact CH2-O 3.3Å; W540-K547 HydrophobicContact CE3-CG 4Å; W540-D671 HydrophobicContact CH2-CB 4.48Å; W540-D671 WeakPolarHBondContact CH2-OD1 3.46Å
541S82.2Confident87Confident0 Ų062.7 Ų62.70%034%0.337CS..EExtended strand (participates in β ladder)trans-102117.7177.1177.10000111.5C469 F539 A543 V544 Q545 A546C469-S541 PolarHBondContact SG-OG 3.11Å; F539-S541 PolarHBondContact O-N 3.49Å; S541-A543 PolarHBondContact O-N 2.85Å; S541-A543 PolarHBondContact OG-N 3.37Å; S541-V544 PolarHBondContact O-N 3.07Å; S541-V544 PolarHBondContact OG-N 2.98Å; S541-Q545 WeakPolarHBondContact O-CA 3.49Å; S541-Q545 PolarHBondContact O-N 2.98Å; S541-A546 PolarHBondContact N-O 3.01Å
542S83.2Confident87.3Confident29 Ų2963.5 Ų63.520%0.20334%0.337CS..THydrogen-bonded Turntrans-64.8-22.6175.256.80000113.8P609S542-P609 VanDerWaalsContact CB-O 3.29Å; S542-P609 WeakPolarHBondContact CB-O 3.4Å; S542-P609 PolarHBondContact OG-O 3.3Å
543A82.7Confident87.3Confident35 Ų3558.8 Ų58.829%0.28932%0.317SS..THydrogen-bonded Turntrans-79.2-32.2176.500000113.2K474 S541 L608 P609K474-A543 HydrophobicContact CD-CB 3.79Å; S541-A543 PolarHBondContact O-N 2.85Å; S541-A543 PolarHBondContact OG-N 3.37Å; A543-L608 HydrophobicContact CB-CD2 3.78Å; A543-P609 HydrophobicContact CB-CG 4.32Å
544V83.9Confident87.4Confident51 Ų5157.2 Ų57.231%0.30931%0.306SS..THydrogen-bonded Turntrans-93.9-23.4179.4-176.40000110.9Q471 S541 A546Q471-V544 HydrophobicContact CB-CG2 4.08Å; S541-V544 PolarHBondContact O-N 3.07Å; S541-V544 PolarHBondContact OG-N 2.98Å; V544-A546 VanDerWaalsContact C-N 3.27Å; V544-A546 HydrophobicContact CG1-CB 4.06Å; V544-A546 PolarHBondContact O-N 2.82Å
545Q80.2Confident87.5Confident133 Ų13355.6 Ų55.662%0.62130%0.295SS*.THydrogen-bonded Turntrans56.541.2-171.2-55.3-176.3-60.100112W540 S541W540-Q545 VanDerWaalsContact CH2-C 3.46Å; W540-Q545 WeakPolarHBondContact CH2-O 3.3Å; S541-Q545 WeakPolarHBondContact O-CA 3.49Å; S541-Q545 PolarHBondContact O-N 2.98Å
546A77.9Confident87.7Confident37 Ų3750.3 Ų50.331%0.30627%0.269SS..EExtended strand (participates in β ladder)trans-156.4164.7177.900000111.1S541 V544S541-A546 PolarHBondContact N-O 3.01Å; V544-A546 VanDerWaalsContact C-N 3.27Å; V544-A546 HydrophobicContact CG1-CB 4.06Å; V544-A546 PolarHBondContact O-N 2.82Å
547K82.7Confident88Confident97 Ų9749.1 Ų49.142%0.42227%0.266SS..EExtended strand (participates in β ladder)trans-69.7131.2168.3-71.6168.9152.4-131.70110.4D538 F539 W540D538-K547 WeakPolarHBondContact OD1-CD 3.47Å; D538-K547 WeakPolarHBondContact OD1-CE 3.28Å; D538-K547 WeakPolarHBondContact OD1-CG 3.49Å; D538-K547 IonicContact OD1-NZ 3.09Å; D538-K547 PolarHBondContact OD1-NZ 3.12Å; D538-K547 IonicContact OD2-NZ 2.76Å; D538-K547 PolarHBondContact OD2-NZ 3.4Å; F539-K547 CarbonylContact O-C 3.56Å; F539-K547 WeakPolarHBondContact O-CA 3.28Å; W540-K547 HydrophobicContact CE3-CG 4Å
548T87.9Confident88.4Confident11 Ų1143.7 Ų43.77%0.06723%0.233CC..EExtended strand (participates in β ladder)trans-149.1-174.3-174.8-168.60000111Q471 D538 F539Q471-T548 VanDerWaalsContact CG-OG1 3.32Å; Q471-T548 WeakPolarHBondContact CG-OG1 3.41Å; Q471-T548 PolarHBondContact NE2-OG1 3.38Å; D538-T548 PolarHBondContact N-O 2.92Å; F539-T548 HydrophobicContact CD1-CG2 4.06Å; F539-T548 PolarHBondContact N-O 3.48Å; F539-T548 WeakPolarHBondContact O-CG2 3.48Å; F539-T548 PolarHBondContact O-N 3.12Å
549S92.1Very high88.9Confident33 Ų3338.7 Ų38.723%0.23121%0.206CC..EExtended strand (participates in β ladder)trans-94.7144.9169.455.40000110.9Q470 L536Q470-S549 PolarHBondContact N-O 2.97Å; Q470-S549 PolarHBondContact OE1-OG 2.89Å; L536-S549 WeakPolarHBondContact O-CA 3.33Å
550A92.6Very high89.6Confident0 Ų036.7 Ų36.70%020%0.197CC..EExtended strand (participates in β ladder)trans-131.6157.7170.700000110.9I467 V468 L536 F539I467-A550 HydrophobicContact CG2-CB 3.8Å; V468-A550 CarbonylContact O-C 3.45Å; V468-A550 VanDerWaalsContact O-CA 3.24Å; V468-A550 WeakPolarHBondContact O-CA 3.15Å; V468-A550 WeakPolarHBondContact O-CB 3.4Å; L536-A550 HydrophobicContact CB-CB 4.42Å; L536-A550 PolarHBondContact N-O 3.07Å; L536-A550 PolarHBondContact O-N 3.09Å; F539-A550 HydrophobicContact CB-CB 3.82Å; F539-A550 HydrophobicContact CD1-CB 3.51Å; F539-A550 HydrophobicContact CD2-CB 4.16Å; F539-A550 HydrophobicContact CE1-CB 4.06Å; F539-A550 HydrophobicContact CG-CB 3.55Å
551T95.3Very high90.2Very high35 Ų3534.1 Ų34.122%0.21519%0.189CC..EExtended strand (participates in β ladder)trans-110.2123.4173.1-61.90000108.5I467 V468 Q470 P533 E534I467-T551 WeakPolarHBondContact CA-O 3.47Å; V468-T551 PolarHBondContact N-O 3.08Å; V468-T551 PolarHBondContact O-N 2.78Å; Q470-T551 PolarHBondContact NE2-OG1 3.08Å; P533-T551 HydrophobicContact CB-CG2 3.39Å; E534-T551 CarbonylContact O-C 3.58Å; E534-T551 WeakPolarHBondContact O-CA 3.42Å
552K93.8Very high90.9Very high41 Ų4134.7 Ų34.718%0.17819%0.192CC..EExtended strand (participates in β ladder)trans-100.7135.4176.2-175.5179179178.50109.6E465 K466 I467 P533 E534 L536E465-K552 IonicContact OE1-NZ 3.86Å; E465-K552 PolarHBondContact OE1-NZ 3.4Å; E465-K552 VanDerWaalsContact OE1-NZ 3.09Å; E465-K552 WeakPolarHBondContact OE2-CE 3.35Å; E465-K552 IonicContact OE2-NZ 3.64Å; E465-K552 PolarHBondContact OE2-NZ 3.37Å; K466-K552 CarbonylContact O-C 3.54Å; K466-K552 WeakPolarHBondContact O-CA 3.35Å; I467-K552 HydrophobicContact CG1-CB 4.48Å; I467-K552 HydrophobicContact CG1-CG 4.25Å; P533-K552 CarbonylContact C-O 3.55Å; P533-K552 WeakPolarHBondContact CA-O 3.35Å; E534-K552 HydrophobicContact CB-CB 4.47Å; E534-K552 PolarHBondContact N-O 3.05Å; E534-K552 PolarHBondContact O-N 2.91Å; L536-K552 HydrophobicContact CD1-CB 3.97Å; L536-K552 HydrophobicContact CD1-CD 4.49Å; L536-K552 HydrophobicContact CG-CB 4.13Å
553T93.8Very high91.6Very high29 Ų2933.3 Ų33.318%0.17818%0.182CC..EExtended strand (participates in β ladder)trans-133.9134.8174.3-54.90000109.5K466 R555K466-T553 PolarHBondContact N-O 3.19Å; K466-T553 PolarHBondContact O-N 2.89Å; T553-R555 HydrophobicContact CG2-CG 4.41Å
554T93.4Very high92.4Very high46 Ų4631.7 Ų31.728%0.28217%0.169SC..EExtended strand (participates in β ladder)trans-110.8132.3-177.3-55.20000109.9V463V463-T554 HydrophobicContact CG1-CG2 3.38Å
555R95.1Very high93.1Very high80 Ų8029.5 Ų29.530%0.30216%0.155SC..EExtended strand (participates in β ladder)trans-142.4165.5-179.2-66.7-65.4173.7139.4-9.3111.2V463 E464 T553 G595 L596 A598V463-R555 WeakPolarHBondContact CA-O 3.26Å; E464-R555 PolarHBondContact N-O 3.43Å; E464-R555 PolarHBondContact O-N 3.36Å; T553-R555 HydrophobicContact CG2-CG 4.41Å; R555-G595 PolarHBondContact NH1-O 3.18Å; R555-L596 WeakPolarHBondContact CD-O 3.33Å; R555-A598 HydrophobicContact CB-CB 3.71Å
556F96Very high93.9Very high12 Ų1224 Ų245%0.05313%0.129CC..EExtended strand (participates in β ladder)trans-88.9111177.5-67.9-92000110.4F461 V485 S558 F559 L563 L593 L596 R597 A598F461-F556 AromaticContact CD2-CD1 3.77Å; F461-F556 HydrophobicContact CD2-CD1 3.77Å; F461-F556 HydrophobicContact CD2-CE1 4Å; F461-F556 AromaticContact CE2-CD1 3.76Å; F461-F556 HydrophobicContact CE2-CD1 3.76Å; F461-F556 AromaticContact CE2-CE1 3.57Å; F461-F556 HydrophobicContact CE2-CE1 3.57Å; F461-F556 HydrophobicContact CZ-CE1 4.17Å; V485-F556 HydrophobicContact CG1-CZ 4.18Å; V485-F556 HydrophobicContact CG2-CE1 3.5Å; V485-F556 HydrophobicContact CG2-CZ 3.55Å; F556-S558 VanDerWaalsContact C-N 3.33Å; F556-F559 HydrophobicContact CB-CD1 3.93Å; F556-F559 HydrophobicContact CB-CE1 3.37Å; F556-F559 HydrophobicContact CB-CZ 3.8Å; F556-F559 HydrophobicContact CD1-CD1 4.08Å; F556-F559 AromaticContact CD1-CE1 3.9Å; F556-F559 HydrophobicContact CD1-CE1 3.9Å; F556-F559 AromaticContact CD2-CE1 3.77Å; F556-F559 HydrophobicContact CD2-CE1 3.77Å; F556-F559 HydrophobicContact CD2-CZ 4.4Å; F556-F559 HydrophobicContact CG-CD1 4.01Å; F556-F559 AromaticContact CG-CE1 3.4Å; F556-F559 HydrophobicContact CG-CE1 3.4Å; F556-F559 VanDerWaalsContact CG-CE1 3.4Å; F556-F559 HydrophobicContact CG-CZ 4.2Å; F556-L563 HydrophobicContact CE1-CD1 4.41Å; F556-L593 HydrophobicContact CE2-CD1 4.49Å; F556-L593 HydrophobicContact CZ-CD1 4.41Å; F556-L596 HydrophobicContact CD2-CB 3.89Å; F556-L596 HydrophobicContact CE2-CB 4.29Å; F556-L596 HydrophobicContact CE2-CD1 4.22Å; F556-L596 PolarHBondContact N-O 2.87Å; F556-R597 CarbonylContact O-C 3.59Å; F556-R597 WeakPolarHBondContact O-CA 3.47Å; F556-A598 PolarHBondContact O-N 3.14Å
557A95.5Very high94.8Very high20 Ų2022.3 Ų22.317%0.16512%0.115CC..SBendtrans-71.7-32.2170.600000111.4L462 E464 R597L462-A557 HydrophobicContact CB-CB 3.64Å; L462-A557 PolarHBondContact O-N 3.14Å; E464-A557 HydrophobicContact CB-CB 4.11Å; A557-R597 PolarHBondContact O-NH1 3.19Å
558S96Very high95.3Very high3 Ų322.6 Ų22.62%0.02112%0.116CC..SBendtrans-139.4161.9171.466.80000112.4L462 F556 D767L462-S558 PolarHBondContact N-OG 3.46Å; L462-S558 PolarHBondContact O-N 3.38Å; F556-S558 VanDerWaalsContact C-N 3.33Å; S558-D767 VanDerWaalsContact CA-OD1 3.27Å; S558-D767 WeakPolarHBondContact CA-OD1 3.34Å; S558-D767 WeakPolarHBondContact CB-OD1 3.26Å
559F97.3Very high95.2Very high0 Ų022.4 Ų22.40%012%0.115CC..  trans-118.1118.5-179.8-77.9-47.5000111.3F556 L593 R597 R766 D767 Y772 R826F556-F559 HydrophobicContact CB-CD1 3.93Å; F556-F559 HydrophobicContact CB-CE1 3.37Å; F556-F559 HydrophobicContact CB-CZ 3.8Å; F556-F559 HydrophobicContact CD1-CD1 4.08Å; F556-F559 AromaticContact CD1-CE1 3.9Å; F556-F559 HydrophobicContact CD1-CE1 3.9Å; F556-F559 AromaticContact CD2-CE1 3.77Å; F556-F559 HydrophobicContact CD2-CE1 3.77Å; F556-F559 HydrophobicContact CD2-CZ 4.4Å; F556-F559 HydrophobicContact CG-CD1 4.01Å; F556-F559 AromaticContact CG-CE1 3.4Å; F556-F559 HydrophobicContact CG-CE1 3.4Å; F556-F559 VanDerWaalsContact CG-CE1 3.4Å; F556-F559 HydrophobicContact CG-CZ 4.2Å; F559-L593 HydrophobicContact CE1-CB 3.75Å; F559-L593 HydrophobicContact CE1-CD1 4.42Å; F559-L593 HydrophobicContact CZ-CB 3.95Å; F559-L593 WeakPolarHBondContact CZ-O 3.28Å; F559-R597 HydrophobicContact CE2-CB 3.9Å; F559-R597 HydrophobicContact CE2-CG 4.39Å; F559-R597 HydrophobicContact CZ-CB 4.18Å; F559-R766 VanDerWaalsContact O-O 3.07Å; F559-D767 PolarHBondContact N-OD1 3.47Å; F559-Y772 VanDerWaalsContact CB-OH 3.24Å; F559-Y772 WeakPolarHBondContact CB-OH 3.32Å; F559-Y772 HydrophobicContact CD1-CE2 4.48Å; F559-R826 PolarHBondContact O-NH1 2.98Å
560P96.9Very high94.9Very high0 Ų024.1 Ų24.10%012%0.118CC..  trans-71.4167.9-174.530.9-34.3000112.5F461 L563 Y772 R826F461-P560 HydrophobicContact CB-CB 4.13Å; F461-P560 HydrophobicContact CB-CG 4.01Å; F461-P560 HydrophobicContact CD1-CG 3.96Å; F461-P560 HydrophobicContact CG-CG 4.24Å; P560-L563 HydrophobicContact CG-CB 4.21Å; P560-L563 HydrophobicContact CG-CD1 3.96Å; P560-Y772 VanDerWaalsContact CD-OH 3.3Å; P560-Y772 WeakPolarHBondContact CD-OH 3.26Å; P560-Y772 WeakPolarHBondContact O-CE1 3.41Å; P560-Y772 PolarHBondContact O-OH 3.11Å; P560-R826 PolarHBondContact O-NH1 2.85Å; P560-R826 VanDerWaalsContact O-NH1 3.12Å
561D96.6Very high94.5Very high25 Ų2527.5 Ų27.513%0.13414%0.139CC..SBendtrans-69.6-39.2175.4-66.513000110.7A458 R766 R826A458-D561 PolarHBondContact O-N 3.41Å; A458-D561 VanDerWaalsContact O-N 3.16Å; D561-R766 WeakPolarHBondContact OD1-CB 3.44Å; D561-R766 WeakPolarHBondContact OD2-CD 3.42Å; D561-R766 IonicContact OD2-CZ 3.25Å; D561-R766 IonicContact OD2-NE 3.39Å; D561-R766 IonicContact OD2-NH1 2.77Å; D561-R766 PolarHBondContact OD2-NH1 3.13Å; D561-R826 VanDerWaalsContact CG-NH2 3.31Å; D561-R826 WeakPolarHBondContact O-CB 3.42Å; D561-R826 PolarHBondContact O-N 3.3Å; D561-R826 IonicContact OD1-CZ 2.81Å; D561-R826 IonicContact OD1-NH1 3.86Å; D561-R826 PolarHBondContact OD1-NH1 3.1Å; D561-R826 IonicContact OD1-NH2 2.84Å; D561-R826 PolarHBondContact OD1-NH2 3.05Å; D561-R826 IonicContact OD2-NH2 3.23Å
562H97.3Very high93.7Very high11 Ų1131.8 Ų31.85%0.05116%0.155CC..EExtended strand (participates in β ladder)trans-124.1115.2174.5-63.278.1000108.8A458 F459 F775 Y824A458-H562 PolarHBondContact O-N 3.41Å; F459-H562 HydrophobicContact CD1-CB 3.66Å; F459-H562 WeakPolarHBondContact CD1-O 3.39Å; F459-H562 HydrophobicContact CE1-CB 3.57Å; H562-F775 AromaticContact CD2-CE1 3.65Å; H562-F775 AromaticContact CD2-CZ 3.88Å; H562-Y824 CarbonylContact C-O 3.57Å; H562-Y824 WeakPolarHBondContact CA-O 3.31Å
563L97.9Very high92.9Very high1 Ų131.3 Ų31.31%0.00516%0.161CC..EExtended strand (participates in β ladder)trans-91127.2178.8178.574.9000109.8V485 F556 P560 I565 L591 L593 Y772 F823 Y824V485-L563 HydrophobicContact CG2-CD1 3.67Å; F556-L563 HydrophobicContact CE1-CD1 4.41Å; P560-L563 HydrophobicContact CG-CB 4.21Å; P560-L563 HydrophobicContact CG-CD1 3.96Å; L563-I565 HydrophobicContact CD2-CD1 3.95Å; L563-I565 HydrophobicContact CD2-CG1 4.03Å; L563-I565 HydrophobicContact CG-CG1 4.12Å; L563-L591 HydrophobicContact CD2-CD2 4.1Å; L563-L593 HydrophobicContact CD2-CD1 3.45Å; L563-L593 VanDerWaalsContact CD2-CD1 3.45Å; L563-Y772 HydrophobicContact CB-CD1 3.92Å; L563-Y772 HydrophobicContact CB-CE1 3.59Å; L563-Y772 HydrophobicContact CD2-CD2 4.34Å; L563-Y772 HydrophobicContact CD2-CE2 4.19Å; L563-F823 WeakPolarHBondContact O-CA 3.43Å; L563-Y824 PolarHBondContact N-O 2.95Å; L563-Y824 PolarHBondContact O-N 2.99Å
564V98.3Very high92Very high1 Ų138.3 Ų38.31%0.00620%0.197CC..EExtended strand (participates in β ladder)trans-103.6127.2173.2-169.70000109.3L438 F459 I484 V485 Y822 F823L438-V564 HydrophobicContact CD2-CG1 4.06Å; F459-V564 HydrophobicContact CD1-CG2 3.64Å; F459-V564 HydrophobicContact CE1-CG2 4Å; F459-V564 HydrophobicContact CG-CG2 4.44Å; I484-V564 HydrophobicContact CD1-CG1 4.49Å; I484-V564 HydrophobicContact CG1-CB 4.17Å; I484-V564 HydrophobicContact CG1-CG1 4.07Å; I484-V564 HydrophobicContact CG2-CG1 4.19Å; V485-V564 PolarHBondContact N-O 3.13Å; V564-Y822 CarbonylContact C-O 3.52Å; V564-Y822 WeakPolarHBondContact CA-O 3.36Å; V564-F823 HydrophobicContact CB-CE1 4.47Å; V564-F823 HydrophobicContact CG1-CD1 4.26Å; V564-F823 HydrophobicContact CG1-CE1 3.9Å; V564-F823 HydrophobicContact CG1-CZ 4.14Å; V564-F823 HydrophobicContact CG2-CD1 3.77Å; V564-F823 HydrophobicContact CG2-CE1 3.76Å
565I98Very high91.4Very high4 Ų442.8 Ų42.82%0.02122%0.219CC..EExtended strand (participates in β ladder)trans-117.4122.6176.4-55.8-179000109.1V485 L487 F523 L563 I567 L591 L821 Y822 Y824V485-I565 HydrophobicContact CB-CG1 4.39Å; V485-I565 CarbonylContact O-C 3.58Å; V485-I565 WeakPolarHBondContact O-CA 3.04Å; L487-I565 HydrophobicContact CB-CG2 3.77Å; L487-I565 HydrophobicContact CD2-CG2 4.16Å; L487-I565 HydrophobicContact CG-CG2 4.48Å; F523-I565 HydrophobicContact CZ-CD1 4.46Å; L563-I565 HydrophobicContact CD2-CD1 3.95Å; L563-I565 HydrophobicContact CD2-CG1 4.03Å; L563-I565 HydrophobicContact CG-CG1 4.12Å; I565-I567 HydrophobicContact CG2-CD1 4.34Å; I565-L591 HydrophobicContact CD1-CD2 3.79Å; I565-L821 CarbonylContact O-C 3.58Å; I565-L821 WeakPolarHBondContact O-CA 3.26Å; I565-Y822 PolarHBondContact N-O 3.23Å; I565-Y822 PolarHBondContact O-N 3.05Å; I565-Y824 HydrophobicContact CD1-CD2 3.96Å; I565-Y824 HydrophobicContact CD1-CE2 3.87Å; I565-Y824 HydrophobicContact CG1-CD2 4.41Å
566Q97.6Very high90.4Very high17 Ų1748.3 Ų48.38%0.07924%0.24CC..EExtended strand (participates in β ladder)trans-97.5124.9170179.9-171.520.800109.7Q435 I484 V485 L487 K568 Y820 L821Q435-Q566 HydrophobicContact CG-CG 4.36Å; I484-Q566 HydrophobicContact CG2-CB 3.66Å; V485-Q566 PolarHBondContact O-N 2.94Å; L487-Q566 PolarHBondContact N-O 2.98Å; Q566-K568 PolarHBondContact O-N 2.84Å; Q566-Y820 HydrophobicContact CG-CD2 4.44Å; Q566-Y820 HydrophobicContact CG-CE2 3.7Å; Q566-Y820 PolarHBondContact NE2-OH 2.76Å; Q566-L821 HydrophobicContact CB-CD2 3.67Å; Q566-L821 HydrophobicContact CG-CD2 3.89Å
567I96Very high89.1Confident2 Ų252.2 Ų52.21%0.0126%0.264CS..EExtended strand (participates in β ladder)trans-79.6119.1169.8-54.5-55.8000108.9L487 V489 I565 K569 I585 Y820 Y822L487-I567 HydrophobicContact CB-CD1 4.21Å; L487-I567 HydrophobicContact CD2-CD1 3.67Å; V489-I567 HydrophobicContact CG2-CG2 3.5Å; V489-I567 VanDerWaalsContact CG2-CG2 3.5Å; I565-I567 HydrophobicContact CG2-CD1 4.34Å; I567-K569 HydrophobicContact CG2-CB 4.06Å; I567-K569 HydrophobicContact CG2-CD 4.43Å; I567-K569 HydrophobicContact CG2-CG 4.38Å; I567-K569 PolarHBondContact O-N 2.85Å; I567-I585 HydrophobicContact CD1-CD1 4.37Å; I567-I585 HydrophobicContact CG2-CD1 3.55Å; I567-Y820 PolarHBondContact N-O 2.81Å; I567-Y822 HydrophobicContact CD1-CD2 4.21Å; I567-Y822 HydrophobicContact CD1-CE2 4.02Å; I567-Y822 HydrophobicContact CG1-CD2 3.93Å; I567-Y822 HydrophobicContact CG1-CE2 3.49Å; I567-Y822 VanDerWaalsContact CG1-CE2 3.49Å
568K93.5Very high88Confident103 Ų10354.1 Ų54.145%0.44828%0.275SS..  trans-76.362.9176.2-62.2-172.578163.70111.5Q486 L487 Q566 F570Q486-K568 HydrophobicContact CB-CD 3.92Å; Q486-K568 HydrophobicContact CB-CG 4.09Å; L487-K568 WeakPolarHBondContact O-CB 3.44Å; L487-K568 WeakPolarHBondContact O-CG 3.43Å; L487-K568 PolarHBondContact O-N 2.77Å; Q566-K568 PolarHBondContact O-N 2.84Å; K568-F570 PolarHBondContact O-N 3.47Å
569K87.1Confident87Confident7 Ų759.6 Ų59.63%0.0330%0.299CS..  trans-87.429.2178.663.3-175.8175.3-170.60113.6I567 K580 L581 V583 L818 G819I567-K569 HydrophobicContact CG2-CB 4.06Å; I567-K569 HydrophobicContact CG2-CD 4.43Å; I567-K569 HydrophobicContact CG2-CG 4.38Å; I567-K569 PolarHBondContact O-N 2.85Å; K569-K580 CarbonylContact O-C 3.57Å; K569-K580 WeakPolarHBondContact O-CA 3.4Å; K569-L581 HydrophobicContact CB-CB 4.18Å; K569-L581 PolarHBondContact O-N 3.42Å; K569-V583 HydrophobicContact CB-CG2 4.15Å; K569-L818 PolarHBondContact NZ-O 2.95Å; K569-G819 VanDerWaalsContact NZ-C 3.34Å; K569-G819 PolarHBondContact NZ-O 3.13Å
570F85.3Confident86.3Confident69 Ų6960.4 Ų60.430%0.30330%0.302SS..EExtended strand (participates in β ladder)trans-130132.6175.4-57.6-76.2000108.8K568 K579 K580 T785 Y820K568-F570 PolarHBondContact O-N 3.47Å; F570-K579 WeakPolarHBondContact CA-O 3.29Å; F570-K580 HydrophobicContact CD1-CB 4.05Å; F570-K580 HydrophobicContact CD1-CG 4.15Å; F570-K580 HydrophobicContact CE1-CB 3.97Å; F570-K580 HydrophobicContact CE1-CD 4.36Å; F570-K580 HydrophobicContact CE1-CG 3.77Å; F570-T785 HydrophobicContact CD1-CG2 3.8Å; F570-T785 HydrophobicContact CE1-CG2 4.2Å; F570-Y820 HydrophobicContact CD2-CE2 4.29Å; F570-Y820 HydrophobicContact CE2-CD2 4.19Å; F570-Y820 AromaticContact CE2-CE2 3.62Å; F570-Y820 HydrophobicContact CE2-CE2 3.62Å; F570-Y820 AromaticContact CE2-CZ 3.81Å
571T84.6Confident85.7Confident71 Ų7161.7 Ų61.744%0.43631%0.309SS..EExtended strand (participates in β ladder)trans-142.7168.2179.6-167.10000110.4K579 L581T571-K579 PolarHBondContact N-O 3.39Å; T571-K579 PolarHBondContact O-N 2.81Å; T571-L581 HydrophobicContact CG2-CD1 4.5Å; T571-L581 HydrophobicContact CG2-CD2 3.63Å; T571-L581 HydrophobicContact CG2-CG 4.11Å
572F79Confident84.9Confident126 Ų12662.7 Ų62.755%0.55331%0.314SS*.EExtended strand (participates in β ladder)trans-88.1134.7172.8-69-71.9000110.9W576 P578F572-W576 HydrophobicContact CB-CE3 4.29Å; F572-W576 HydrophobicContact CD1-CE3 4.33Å; F572-W576 WeakPolarHBondContact CD1-O 3.27Å; F572-W576 HydrophobicContact CD2-CE3 4.43Å; F572-W576 HydrophobicContact CD2-CZ3 4.48Å; F572-W576 HydrophobicContact CG-CE3 4.1Å; F572-P578 HydrophobicContact CD1-CG 4.37Å; F572-P578 HydrophobicContact CE1-CG 4.04Å
573G75.7Confident84.4Confident30 Ų3062.6 Ų62.631%0.30931%0.314SS..  trans-74.5179.8166.400000112.4D575 W576 V577G573-D575 PolarHBondContact O-N 2.81Å; G573-W576 PolarHBondContact O-N 2.81Å; G573-W576 VanDerWaalsContact O-N 3.09Å; G573-V577 PolarHBondContact N-O 3.14Å
574L75.9Confident84.1Confident176 Ų17663.4 Ų63.492%0.92132%0.32SS*.THydrogen-bonded Turntrans-58.4-31.2-179.8-65.5171.5000113.1
575D79.1Confident83.9Confident140 Ų14063.5 Ų63.575%0.74932%0.321SS*.THydrogen-bonded Turntrans-95.817.9-178.8-56-36.6000113.1G573 V577G573-D575 PolarHBondContact O-N 2.81Å; D575-V577 HydrophobicContact CB-CG2 4.24Å; D575-V577 PolarHBondContact O-N 2.84Å; D575-V577 VanDerWaalsContact O-N 3.09Å
576W75.6Confident83.4Confident196 Ų19669.1 Ų69.174%0.74235%0.351SS*.SBendtrans6112.5-173.7-59.794000115.2F572 G573 P578F572-W576 HydrophobicContact CB-CE3 4.29Å; F572-W576 HydrophobicContact CD1-CE3 4.33Å; F572-W576 WeakPolarHBondContact CD1-O 3.27Å; F572-W576 HydrophobicContact CD2-CE3 4.43Å; F572-W576 HydrophobicContact CD2-CZ3 4.48Å; F572-W576 HydrophobicContact CG-CE3 4.1Å; G573-W576 PolarHBondContact O-N 2.81Å; G573-W576 VanDerWaalsContact O-N 3.09Å; W576-P578 WeakPolarHBondContact O-CD 3.38Å
577V68.8Low83.2Confident94 Ų9468.4 Ų68.457%0.5735%0.347SS*.  trans-74.3124.5171.2-179.30000108.9G573 D575 K579G573-V577 PolarHBondContact N-O 3.14Å; D575-V577 HydrophobicContact CB-CG2 4.24Å; D575-V577 PolarHBondContact O-N 2.84Å; D575-V577 VanDerWaalsContact O-N 3.09Å; V577-K579 PolarHBondContact O-N 2.86Å
578P72.6Confident83.2Confident60 Ų6070.2 Ų70.239%0.3936%0.359SS..EExtended strand (participates in β ladder)trans-62.6129.1176.1-20.531.8000111.1F572 W576 T785F572-P578 HydrophobicContact CD1-CG 4.37Å; F572-P578 HydrophobicContact CE1-CG 4.04Å; W576-P578 WeakPolarHBondContact O-CD 3.38Å; P578-T785 HydrophobicContact CB-CG2 4.08Å; P578-T785 VanDerWaalsContact O-CG2 3.27Å; P578-T785 WeakPolarHBondContact O-CG2 3.31Å; P578-T785 PolarHBondContact O-OG1 3.18Å
579K75.1Confident83.2Confident118 Ų11868.5 Ų68.551%0.51336%0.355SS..EExtended strand (participates in β ladder)trans-120.3133.3180-173.6177179.4-177.80110.5F570 T571 V577F570-K579 WeakPolarHBondContact CA-O 3.29Å; T571-K579 PolarHBondContact N-O 3.39Å; T571-K579 PolarHBondContact O-N 2.81Å; V577-K579 PolarHBondContact O-N 2.86Å
580K81.6Confident83.6Confident18 Ų1873.2 Ų73.28%0.07839%0.385CS..EExtended strand (participates in β ladder)trans-76.2128.8167.8-171-173.3-178.4-166.40108.8E304 K569 F570 D582 H780 G782 T785E304-K580 IonicContact OE2-NZ 3.81Å; K569-K580 CarbonylContact O-C 3.57Å; K569-K580 WeakPolarHBondContact O-CA 3.4Å; F570-K580 HydrophobicContact CD1-CB 4.05Å; F570-K580 HydrophobicContact CD1-CG 4.15Å; F570-K580 HydrophobicContact CE1-CB 3.97Å; F570-K580 HydrophobicContact CE1-CD 4.36Å; F570-K580 HydrophobicContact CE1-CG 3.77Å; K580-D582 PolarHBondContact O-N 2.96Å; K580-H780 PolarHBondContact NZ-O 3.04Å; K580-G782 WeakPolarHBondContact CD-O 3.49Å; K580-G782 WeakPolarHBondContact CE-O 3.31Å; K580-G782 PolarHBondContact NZ-O 3.22Å; K580-T785 HydrophobicContact CB-CG2 4.15Å; K580-T785 VanDerWaalsContact N-CG2 3.29Å
581L84.3Confident84.1Confident26 Ų2670.6 Ų70.614%0.13637%0.374CS..  trans-77.5114.7170.1-60.2178.2000107.9V489 M491 K569 T571 V583V489-L581 HydrophobicContact CB-CD1 4.42Å; M491-L581 HydrophobicContact CG-CD1 4.16Å; M491-L581 HydrophobicContact CG-CD2 4.38Å; M491-L581 HydrophobicContact SD-CB 4.44Å; M491-L581 HydrophobicContact SD-CD1 4.09Å; M491-L581 HydrophobicContact SD-CD2 4.28Å; K569-L581 HydrophobicContact CB-CB 4.18Å; K569-L581 PolarHBondContact O-N 3.42Å; T571-L581 HydrophobicContact CG2-CD1 4.5Å; T571-L581 HydrophobicContact CG2-CD2 3.63Å; T571-L581 HydrophobicContact CG2-CG 4.11Å; L581-V583 VanDerWaalsContact C-N 3.33Å; L581-V583 HydrophobicContact CB-CG1 3.81Å; L581-V583 PolarHBondContact O-N 3.14Å
582D78.9Confident84.6Confident47 Ų4771.6 Ų71.625%0.25138%0.376SS..  trans-8182.8175.9-17010.6000109.7R518 A519 K580R518-D582 WeakPolarHBondContact CD-OD1 3.24Å; R518-D582 WeakPolarHBondContact CG-OD1 3.19Å; R518-D582 IonicContact NE-OD1 3.13Å; R518-D582 PolarHBondContact NE-OD1 3.37Å; R518-D582 IonicContact NE-OD2 3.06Å; A519-D582 PolarHBondContact N-O 3.41Å; K580-D582 PolarHBondContact O-N 2.96Å
583V88.1Confident85.3Confident8 Ų865.9 Ų65.95%0.04835%0.351CS..EExtended strand (participates in β ladder)trans-119.1146.3-172.9-56.60000111V489 M491 A519 I521 K569 L581 I585V489-V583 HydrophobicContact CG1-CB 4.49Å; V489-V583 HydrophobicContact CG1-CG1 4.09Å; V489-V583 HydrophobicContact CG1-CG2 4.25Å; M491-V583 HydrophobicContact CE-CG1 4.11Å; M491-V583 HydrophobicContact SD-CG1 3.53Å; M491-V583 VanDerWaalsContact SD-CG1 3.53Å; A519-V583 HydrophobicContact CB-CG1 4.09Å; A519-V583 CarbonylContact O-C 3.59Å; A519-V583 WeakPolarHBondContact O-CA 3.2Å; I521-V583 HydrophobicContact CG1-CB 4.42Å; I521-V583 HydrophobicContact CG1-CG1 4.44Å; K569-V583 HydrophobicContact CB-CG2 4.15Å; L581-V583 VanDerWaalsContact C-N 3.33Å; L581-V583 HydrophobicContact CB-CG1 3.81Å; L581-V583 PolarHBondContact O-N 3.14Å; V583-I585 HydrophobicContact CB-CG1 4.47Å; V583-I585 HydrophobicContact CG2-CD1 4.09Å; V583-I585 HydrophobicContact CG2-CG1 4.04Å
584S91.9Very high86.1Confident19 Ų1967.5 Ų67.513%0.13336%0.358CS..EExtended strand (participates in β ladder)trans-111.3120.9168.2170.30000107.4A519 Q520 I521 D817A519-S584 PolarHBondContact O-N 2.98Å; Q520-S584 WeakPolarHBondContact CA-O 3.38Å; I521-S584 PolarHBondContact N-O 3.03Å; S584-D817 WeakPolarHBondContact OG-CB 3.46Å; S584-D817 PolarHBondContact OG-OD2 3.33Å
585I93.1Very high86.8Confident2 Ų262 Ų621%0.0135%0.345CS..EExtended strand (participates in β ladder)trans-122.1111.7-178.8-52.5-173.9000107.7V489 I521 F523 I567 V583 V587 D817V489-I585 HydrophobicContact CG1-CD1 4.25Å; V489-I585 HydrophobicContact CG2-CD1 3.99Å; I521-I585 HydrophobicContact CB-CG1 4.22Å; I521-I585 WeakPolarHBondContact O-CA 3.33Å; F523-I585 HydrophobicContact CB-CG2 4.1Å; F523-I585 HydrophobicContact CD2-CG2 4.21Å; I567-I585 HydrophobicContact CD1-CD1 4.37Å; I567-I585 HydrophobicContact CG2-CD1 3.55Å; V583-I585 HydrophobicContact CB-CG1 4.47Å; V583-I585 HydrophobicContact CG2-CD1 4.09Å; V583-I585 HydrophobicContact CG2-CG1 4.04Å; I585-V587 HydrophobicContact CG2-CG2 4.22Å; I585-V587 WeakPolarHBondContact O-CG2 3.46Å; I585-V587 PolarHBondContact O-N 3.16Å; I585-D817 PolarHBondContact N-O 3.42Å; I585-D817 WeakPolarHBondContact O-CA 3.45Å
586D87.9Confident87.5Confident123 Ų12356.6 Ų56.666%0.65832%0.315SS*.  trans-70.692.8179.5-172.221.6000110.8F523F523-D586 VanDerWaalsContact CB-O 3.25Å; F523-D586 WeakPolarHBondContact CB-O 3.46Å
587V93.4Very high88.4Confident1 Ų151.1 Ų51.11%0.00630%0.295CS..  trans-80.6124.8-176.6175.10000110F523 I585 Y822 Y824F523-V587 HydrophobicContact CD2-CG2 4.09Å; F523-V587 HydrophobicContact CE2-CG2 4.49Å; I585-V587 HydrophobicContact CG2-CG2 4.22Å; I585-V587 WeakPolarHBondContact O-CG2 3.46Å; I585-V587 PolarHBondContact O-N 3.16Å; V587-Y822 HydrophobicContact CB-CD1 4.23Å; V587-Y822 HydrophobicContact CB-CE1 3.82Å; V587-Y822 HydrophobicContact CG1-CD1 3.71Å; V587-Y822 HydrophobicContact CG1-CE1 3.84Å; V587-Y822 HydrophobicContact CG1-CG 4.23Å; V587-Y822 HydrophobicContact CG2-CD1 4.24Å; V587-Y822 HydrophobicContact CG2-CD2 4.49Å; V587-Y822 HydrophobicContact CG2-CE1 3.68Å; V587-Y822 HydrophobicContact CG2-CE2 3.97Å; V587-Y822 VanDerWaalsContact CG2-CZ 3.5Å; V587-Y824 HydrophobicContact CG1-CE2 4.27Å; V587-Y824 WeakPolarHBondContact CG1-OH 3.36Å
588P94.7Very high89.6Confident40 Ų4047.4 Ų47.426%0.2627%0.274SS..  trans-74.8144.7-172.630.9-36.8000112.5F523 T590 L591 Y824F523-P588 HydrophobicContact CD1-CG 3.8Å; F523-P588 HydrophobicContact CE1-CG 3.89Å; F523-P588 HydrophobicContact CG-CG 4.36Å; F523-P588 HydrophobicContact CZ-CG 4.48Å; P588-T590 VanDerWaalsContact C-N 3.27Å; P588-T590 PolarHBondContact O-N 3.05Å; P588-L591 HydrophobicContact CG-CD1 4.28Å; P588-Y824 WeakPolarHBondContact O-CE1 3.49Å; P588-Y824 PolarHBondContact O-OH 3.35Å
589D94Very high90.5Very high68 Ų6849.5 Ų49.536%0.36429%0.286SS..SBendtrans-67.3-30.2175.4-70-42.7000112.4E773 L774 K816D589-E773 CarbonylContact O-C 3.6Å; D589-E773 WeakPolarHBondContact O-CA 3.2Å; D589-L774 PolarHBondContact O-N 3.43Å; D589-K816 IonicContact OD1-NZ 3.17Å; D589-K816 PolarHBondContact OD1-NZ 3.42Å; D589-K816 IonicContact OD2-NZ 3.04Å; D589-K816 PolarHBondContact OD2-NZ 3.19Å
590T95.7Very high91.3Very high106 Ų10644.8 Ų44.865%0.6527%0.27SS*.EExtended strand (participates in β ladder)trans-120130.9175.857.50000109.9P588 Y772P588-T590 VanDerWaalsContact C-N 3.27Å; P588-T590 PolarHBondContact O-N 3.05Å; T590-Y772 CarbonylContact C-O 3.55Å; T590-Y772 WeakPolarHBondContact CA-O 3.47Å
591L95.4Very high91.7Very high14 Ų1448.9 Ų48.97%0.07329%0.29CS..EExtended strand (participates in β ladder)trans-125125-176.1-178.863.6000110.5F523 L563 I565 P588 L593 K771 Y772 Y824F523-L591 HydrophobicContact CE1-CD1 3.47Å; F523-L591 VanDerWaalsContact CE1-CD1 3.47Å; F523-L591 HydrophobicContact CZ-CD1 3.88Å; F523-L591 HydrophobicContact CZ-CD2 4.35Å; L563-L591 HydrophobicContact CD2-CD2 4.1Å; I565-L591 HydrophobicContact CD1-CD2 3.79Å; P588-L591 HydrophobicContact CG-CD1 4.28Å; L591-L593 HydrophobicContact CD1-CD2 3.79Å; L591-L593 HydrophobicContact CD1-CG 4.46Å; L591-L593 HydrophobicContact CD2-CD1 4.09Å; L591-L593 HydrophobicContact CD2-CD2 3.95Å; L591-L593 HydrophobicContact CD2-CG 4.02Å; L591-L593 HydrophobicContact CG-CD2 3.77Å; L591-L593 HydrophobicContact CG-CG 3.89Å; L591-K771 CarbonylContact O-C 3.59Å; L591-K771 WeakPolarHBondContact O-CA 3.48Å; L591-Y772 PolarHBondContact N-O 2.85Å; L591-Y772 PolarHBondContact O-N 2.81Å; L591-Y824 HydrophobicContact CB-CD1 4.01Å; L591-Y824 HydrophobicContact CB-CE1 3.66Å; L591-Y824 HydrophobicContact CD2-CD1 4.4Å; L591-Y824 HydrophobicContact CD2-CD2 4.37Å; L591-Y824 HydrophobicContact CD2-CE1 4.24Å; L591-Y824 HydrophobicContact CD2-CE2 4.2Å; L591-Y824 HydrophobicContact CD2-CG 4.44Å
592D95.3Very high92Very high91 Ų9151.2 Ų51.249%0.48730%0.3SS..EExtended strand (participates in β ladder)trans-112.3110.7173.2-168.6-15.5000109.9S594D592-S594 WeakPolarHBondContact OD1-CB 3.46Å; D592-S594 PolarHBondContact OD1-N 3.31Å; D592-S594 PolarHBondContact OD1-OG 2.8Å
593L94.2Very high92.5Very high6 Ų655.1 Ų55.13%0.03133%0.328CS..  trans-103.55178.3-58.7-174.2000112.6M527 F556 F559 L563 L591 G595 L596 G770 Y772M527-L593 HydrophobicContact CE-CD2 3.39Å; M527-L593 HydrophobicContact SD-CD2 4.47Å; F556-L593 HydrophobicContact CE2-CD1 4.49Å; F556-L593 HydrophobicContact CZ-CD1 4.41Å; F559-L593 HydrophobicContact CE1-CB 3.75Å; F559-L593 HydrophobicContact CE1-CD1 4.42Å; F559-L593 HydrophobicContact CZ-CB 3.95Å; F559-L593 WeakPolarHBondContact CZ-O 3.28Å; L563-L593 HydrophobicContact CD2-CD1 3.45Å; L563-L593 VanDerWaalsContact CD2-CD1 3.45Å; L591-L593 HydrophobicContact CD1-CD2 3.79Å; L591-L593 HydrophobicContact CD1-CG 4.46Å; L591-L593 HydrophobicContact CD2-CD1 4.09Å; L591-L593 HydrophobicContact CD2-CD2 3.95Å; L591-L593 HydrophobicContact CD2-CG 4.02Å; L591-L593 HydrophobicContact CG-CD2 3.77Å; L591-L593 HydrophobicContact CG-CG 3.89Å; L593-G595 PolarHBondContact O-N 2.67Å; L593-G595 VanDerWaalsContact O-N 3.1Å; L593-L596 HydrophobicContact CD2-CD1 4.28Å; L593-L596 WeakPolarHBondContact O-CA 3.5Å; L593-L596 WeakPolarHBondContact O-CB 3.31Å; L593-L596 PolarHBondContact O-N 3.41Å; L593-G770 PolarHBondContact N-O 3.47Å; L593-Y772 HydrophobicContact CD1-CE2 4.16Å; L593-Y772 HydrophobicContact CG-CE2 4.47Å
594S92.4Very high92.4Very high64 Ų6458.8 Ų58.845%0.44837%0.367SS..G310 helixtrans-54.1-35.1-175.758.10000113.3D592 L596 R597D592-S594 WeakPolarHBondContact OD1-CB 3.46Å; D592-S594 PolarHBondContact OD1-N 3.31Å; D592-S594 PolarHBondContact OD1-OG 2.8Å; S594-L596 PolarHBondContact O-N 2.82Å; S594-R597 WeakPolarHBondContact O-CB 3.34Å; S594-R597 PolarHBondContact O-N 2.94Å
595G91.5Very high92.3Very high62 Ų6260.4 Ų60.464%0.63937%0.372SS*.G310 helixtrans-67.1-11.817500000115.4R555 L593R555-G595 PolarHBondContact NH1-O 3.18Å; L593-G595 PolarHBondContact O-N 2.67Å; L593-G595 VanDerWaalsContact O-N 3.1Å
596L93.3Very high92.2Very high25 Ų2566.1 Ų66.113%0.13140%0.399CS..G310 helixtrans-100.34.5176.5-61.1-177.1000113.4M527 R555 F556 L593 S594 A598M527-L596 HydrophobicContact CE-CD1 3.44Å; M527-L596 VanDerWaalsContact CE-CD1 3.44Å; R555-L596 WeakPolarHBondContact CD-O 3.33Å; F556-L596 HydrophobicContact CD2-CB 3.89Å; F556-L596 HydrophobicContact CE2-CB 4.29Å; F556-L596 HydrophobicContact CE2-CD1 4.22Å; F556-L596 PolarHBondContact N-O 2.87Å; L593-L596 HydrophobicContact CD2-CD1 4.28Å; L593-L596 WeakPolarHBondContact O-CA 3.5Å; L593-L596 WeakPolarHBondContact O-CB 3.31Å; L593-L596 PolarHBondContact O-N 3.41Å; S594-L596 PolarHBondContact O-N 2.82Å; L596-A598 PolarHBondContact O-N 2.87Å
597R95.3Very high92.3Very high82 Ų8264.2 Ų64.231%0.30939%0.388SS..BIsolated β-bridgetrans-63.5133.7174-175.8165.8-86.5-97.18.8110.5F556 A557 F559 S594 D767 G768F556-R597 CarbonylContact O-C 3.59Å; F556-R597 WeakPolarHBondContact O-CA 3.47Å; A557-R597 PolarHBondContact O-NH1 3.19Å; F559-R597 HydrophobicContact CE2-CB 3.9Å; F559-R597 HydrophobicContact CE2-CG 4.39Å; F559-R597 HydrophobicContact CZ-CB 4.18Å; S594-R597 WeakPolarHBondContact O-CB 3.34Å; S594-R597 PolarHBondContact O-N 2.94Å; R597-D767 IonicContact CZ-OD1 2.62Å; R597-D767 IonicContact CZ-OD2 3.75Å; R597-D767 IonicContact NH1-OD1 2.71Å; R597-D767 IonicContact NH1-OD2 3.98Å; R597-D767 PolarHBondContact NH1-OD2 2.79Å; R597-D767 IonicContact NH2-OD1 3.37Å; R597-D767 PolarHBondContact NH2-OD1 2.92Å; R597-D767 IonicContact NH2-OD2 2.78Å; R597-D767 PolarHBondContact NH2-OD2 3.02Å; R597-G768 PolarHBondContact NH2-O 2.93Å
598A93.6Very high92Very high16 Ų1665 Ų6513%0.13239%0.393CS..  trans-69.2151.7173.500000110.4E464 R555 F556 L596E464-A598 HydrophobicContact CB-CB 3.6Å; E464-A598 HydrophobicContact CG-CB 4.03Å; E464-A598 WeakPolarHBondContact OE1-CB 3.49Å; R555-A598 HydrophobicContact CB-CB 3.71Å; F556-A598 PolarHBondContact O-N 3.14Å; L596-A598 PolarHBondContact O-N 2.87Å
599T91.3Very high91.4Very high104 Ų10465.9 Ų65.964%0.63840%0.399SS*.  trans-114.9-2.2-178.151.90000112Q602T599-Q602 PolarHBondContact O-NE2 3.23Å; T599-Q602 PolarHBondContact OG1-NE2 3.22Å
600G90.9Very high90.1Very high19 Ų1971.1 Ų71.120%0.19642%0.421CS..  trans63.3-165.4-172.200000112.2E464 Y477 Q602E464-G600 PolarHBondContact OE1-N 3.08Å; E464-G600 WeakPolarHBondContact OE2-CA 3.42Å; Y477-G600 PolarHBondContact OH-O 3.45Å; G600-Q602 PolarHBondContact O-N 2.99Å; G600-Q602 PolarHBondContact O-NE2 3.44Å
601Q90.7Very high88.1Confident104 Ų10471.7 Ų71.749%0.48642%0.424SS..SBendtrans-60.9128175.9-175.4-176.8-000111.1Y477 E605 L607Y477-Q601 HydrophobicContact CD2-CB 4.28Å; Y477-Q601 HydrophobicContact CE2-CB 3.97Å; Y477-Q601 HydrophobicContact CE2-CG 4.29Å; Q601-E605 HydrophobicContact CG-CB 4.35Å; Q601-E605 PolarHBondContact NE2-O 3.49Å; Q601-L607 HydrophobicContact CG-CD2 4.3Å
602Q91.3Very high85.2Confident74 Ų7474.3 Ų74.335%0.34645%0.447SS..PPolyproline II helixtrans-90.9151.2178.3-62-53.3-68.600112.3T599 G600 G604 E605T599-Q602 PolarHBondContact O-NE2 3.23Å; T599-Q602 PolarHBondContact OG1-NE2 3.22Å; G600-Q602 PolarHBondContact O-N 2.99Å; G600-Q602 PolarHBondContact O-NE2 3.44Å; Q602-G604 PolarHBondContact O-N 2.94Å; Q602-E605 HydrophobicContact CB-CG 4.11Å; Q602-E605 PolarHBondContact N-OE2 3.41Å; Q602-E605 WeakPolarHBondContact O-CB 2.76Å; Q602-E605 PolarHBondContact O-N 2.9Å; Q602-E605 VanDerWaalsContact O-N 3.1Å
603P88.1Confident82.2Confident130 Ų13074.7 Ų74.784%0.84446%0.455SS*.THydrogen-bonded Turntrans-57.3122.9172.9-23.133.4000111.5
604G86.4Confident79.1Confident84 Ų8477.6 Ų77.687%0.86647%0.474SS*.THydrogen-bonded Turntrans99.1-4.5-178.200000114.8Q602Q602-G604 PolarHBondContact O-N 2.94Å
605E90.1Very high76.1Confident53 Ų5379.8 Ų79.825%0.24849%0.487CS..PPolyproline II helixtrans-85.1126.7171.5-66.1-175.214800111.6K466 Y477 Q601 Q602K466-E605 IonicContact NZ-OE1 2.9Å; K466-E605 PolarHBondContact NZ-OE1 3.41Å; K466-E605 IonicContact NZ-OE2 2.67Å; Y477-E605 PolarHBondContact OH-OE1 3.24Å; Y477-E605 PolarHBondContact OH-OE2 2.91Å; Q601-E605 HydrophobicContact CG-CB 4.35Å; Q601-E605 PolarHBondContact NE2-O 3.49Å; Q602-E605 HydrophobicContact CB-CG 4.11Å; Q602-E605 PolarHBondContact N-OE2 3.41Å; Q602-E605 WeakPolarHBondContact O-CB 2.76Å; Q602-E605 PolarHBondContact O-N 2.9Å; Q602-E605 VanDerWaalsContact O-N 3.1Å
606E90.9Very high73.2Confident123 Ų12383.9 Ų83.958%0.57549%0.493SS*.PPolyproline II helixtrans-87.1132.8171.7-68.5-171.8-169.500110.5K474 A475K474-E606 CarbonylContact C-O 3.5Å; K474-E606 WeakPolarHBondContact CA-O 3.48Å; K474-E606 WeakPolarHBondContact CB-O 3.39Å; K474-E606 HydrophobicContact CD-CB 4.33Å; K474-E606 WeakPolarHBondContact CE-OE2 3.33Å; K474-E606 HydrophobicContact CG-CB 4.01Å; K474-E606 IonicContact NZ-OE2 3.09Å; K474-E606 PolarHBondContact NZ-OE2 3.45Å; A475-E606 PolarHBondContact N-O 2.93Å
607L90.3Very high70.1Confident82 Ų8290.2 Ų90.243%0.42952%0.524SS..BIsolated β-bridgetrans-78.9147.6176.5-64.8176.5000111.4A475 Y477 Q601A475-L607 CarbonylContact O-C 3.53Å; A475-L607 VanDerWaalsContact O-CA 3.23Å; A475-L607 WeakPolarHBondContact O-CA 3.46Å; A475-L607 WeakPolarHBondContact O-CD2 3.4Å; Y477-L607 HydrophobicContact CD2-CD2 3.95Å; Y477-L607 HydrophobicContact CE2-CD2 4.3Å; Q601-L607 HydrophobicContact CG-CD2 4.3Å
608L86.5Confident66.9Low18 Ų1891.9 Ų91.99%0.09454%0.544CS..PPolyproline II helixtrans-58.8133.2167.2-80.6168.1000108.6C469 K474 A475 K476 F539 A543 E610C469-L608 HydrophobicContact CB-CD2 4.22Å; K474-L608 HydrophobicContact CB-CD2 3.79Å; K474-L608 HydrophobicContact CB-CG 3.9Å; A475-L608 PolarHBondContact O-N 2.9Å; K476-L608 HydrophobicContact CB-CB 4.43Å; K476-L608 HydrophobicContact CB-CD1 3.88Å; F539-L608 HydrophobicContact CE1-CD1 4.31Å; F539-L608 HydrophobicContact CZ-CD1 4.06Å; A543-L608 HydrophobicContact CB-CD2 3.78Å; L608-E610 PolarHBondContact O-N 3.12Å
609P83.5Confident64Low59 Ų5996.7 Ų96.738%0.38357%0.573SS.*PPolyproline II helixtrans-54.3126.9174.5-23.432.5000109.3S542 A543 V611S542-P609 VanDerWaalsContact CB-O 3.29Å; S542-P609 WeakPolarHBondContact CB-O 3.4Å; S542-P609 PolarHBondContact OG-O 3.3Å; A543-P609 HydrophobicContact CB-CG 4.32Å; P609-V611 PolarHBondContact O-N 3.43Å
610E65.6Low61.1Low177 Ų17799.7 Ų99.783%0.82759%0.585SS**PPolyproline II helixtrans-60135.6161.2-68.6-173.4164.500106.7L608 A612L608-E610 PolarHBondContact O-N 3.12Å; E610-A612 PolarHBondContact O-N 3.09Å
611V54.1Low58.2Low119 Ų119104.6 Ų104.672%0.72161%0.612SS**  trans-6783.1169.4-177.50000105.4P609 P613P609-V611 PolarHBondContact O-N 3.43Å; V611-P613 WeakPolarHBondContact O-CD 3.45Å
612A33.8Very low55.4Low68 Ų68108.9 Ų108.956%0.56263%0.632SS**PPolyproline II helixtrans-62.2128.1179.400000106.9E610E610-A612 PolarHBondContact O-N 3.09Å
613P32.7Very low52.6Low99 Ų99110.6 Ų110.664%0.64365%0.647SS**PPolyproline II helixtrans-52.6134.3151.7-4.315.6000106V611V611-P613 WeakPolarHBondContact O-CD 3.45Å
614P29.1Very low50.1Low67 Ų67113.8 Ų113.844%0.43565%0.647SS.*PPolyproline II helixtrans-52144.5-173.917.5-29.6000110.7L616P614-L616 PolarHBondContact O-N 3.17Å
615P30.2Very low47.9Very low110 Ų110112.9 Ų112.971%0.71463%0.632SS**  trans-56.6114.2-175.121.8-31.2000109.3M617P615-M617 VanDerWaalsContact C-N 3.34Å; P615-M617 PolarHBondContact O-N 3.18Å
616L30.8Very low46.3Very low148 Ų148113.3 Ų113.378%0.77564%0.639SS**  trans-58103.7163.5-86156.9000106.7P614 T618P614-L616 PolarHBondContact O-N 3.17Å; L616-T618 PolarHBondContact O-N 3.15Å; L616-T618 VanDerWaalsContact O-N 3.11Å
617M27.7Very low45.1Very low159 Ų159113.5 Ų113.578%0.78365%0.648SS**  trans-56.3114.4171.3-69.6-107.198.500108.3P615P615-M617 VanDerWaalsContact C-N 3.34Å; P615-M617 PolarHBondContact O-N 3.18Å
618T28.4Very low44.4Very low117 Ų117110.6 Ų110.672%0.71863%0.633SS**  trans52.5128.9158.955.40000118.7L616 D620L616-T618 PolarHBondContact O-N 3.15Å; L616-T618 VanDerWaalsContact O-N 3.11Å; T618-D620 PolarHBondContact O-N 3.35Å
619P32.8Very low44.2Very low117 Ų117112.5 Ų112.576%0.7664%0.643SS**SBendtrans-71.6115.3170.830.6-27.9000107.9
620D30Very low43.9Very low166 Ų166114.9 Ų114.989%0.88865%0.653SS**  trans167.715.7151.3-83.5-19.8000114.3T618T618-D620 PolarHBondContact O-N 3.35Å
621V29.8Very low44.8Very low123 Ų123109.5 Ų109.575%0.74564%0.635SS**SBendtrans-128.2120.8171.7-171.50000110.1V623V621-V623 PolarHBondContact O-N 3.29Å
622E31.4Very low46.2Very low194 Ų194104.4 Ų104.491%0.90760%0.604SS**  trans-49.7110.1169.6-74.7178.8149.800110K624E622-K624 PolarHBondContact O-N 3.42Å; E622-K624 VanDerWaalsContact O-N 3.1Å
623V31.8Very low48.6Very low110 Ų110101.4 Ų101.467%0.66758%0.579SS**  trans-75.4101.3-178.2-176.40000109.1V621V621-V623 PolarHBondContact O-N 3.29Å
624K35.5Very low51.1Low196 Ų19699.8 Ų99.885%0.85257%0.57SS**PPolyproline II helixtrans-65.3130.6150.5-82.1179.8176.4174.80107.4E622E622-K624 PolarHBondContact O-N 3.42Å; E622-K624 VanDerWaalsContact O-N 3.1Å
625A41.3Very low53.7Low65 Ų65101 Ų10154%0.53757%0.57SS.*PPolyproline II helixtrans-46.6133.8175.400000110.4V627A625-V627 PolarHBondContact O-N 2.69Å; A625-V627 VanDerWaalsContact O-N 3.15Å
626P55.5Low56.3Low63 Ų6395.8 Ų95.841%0.40954%0.536SS..PPolyproline II helixtrans-60.8121.7-178.521.4-29000109.3L628 Y651P626-L628 PolarHBondContact O-N 2.62Å; P626-Y651 HydrophobicContact CG-CD2 4.23Å; P626-Y651 HydrophobicContact CG-CE2 3.81Å
627V66.3Low58.9Low126 Ų12690.5 Ų90.576%0.76451%0.511SS*.  trans-72.9110176.1-178.70000107A625 N655A625-V627 PolarHBondContact O-N 2.69Å; A625-V627 VanDerWaalsContact O-N 3.15Å; V627-N655 PolarHBondContact O-ND2 3.45Å
628L76.9Confident61.8Low22 Ų2290.9 Ų90.912%0.11551%0.511CS..  trans-63.7137.6173.7-64.4168.4000109P626 D630 R647 V650 Y651 L678P626-L628 PolarHBondContact O-N 2.62Å; L628-D630 PolarHBondContact O-N 3.2Å; L628-R647 HydrophobicContact CD1-CB 4.2Å; L628-R647 HydrophobicContact CD1-CG 4.45Å; L628-V650 HydrophobicContact CB-CG1 4.48Å; L628-V650 HydrophobicContact CD2-CB 4.35Å; L628-V650 HydrophobicContact CD2-CG1 4.02Å; L628-Y651 HydrophobicContact CD2-CD2 4.3Å; L628-L678 HydrophobicContact CD1-CD2 4.22Å
629D80.4Confident64.4Low57 Ų5790 Ų9031%0.30550%0.499SS..  trans-74.694.1176.3175.323.4000110.1S631 T632 V633 V650 N655D629-S631 VanDerWaalsContact CG-OG 3.25Å; D629-S631 PolarHBondContact O-N 2.78Å; D629-S631 VanDerWaalsContact O-N 3.09Å; D629-S631 WeakPolarHBondContact OD1-CB 3.38Å; D629-S631 PolarHBondContact OD1-N 2.9Å; D629-S631 PolarHBondContact OD1-OG 3.24Å; D629-S631 PolarHBondContact OD2-OG 3.45Å; D629-T632 PolarHBondContact O-N 3.05Å; D629-T632 VanDerWaalsContact O-N 3.09Å; D629-T632 WeakPolarHBondContact OD2-CB 3.36Å; D629-T632 PolarHBondContact OD2-N 3.49Å; D629-T632 PolarHBondContact OD2-OG1 2.88Å; D629-V633 PolarHBondContact O-N 3.07Å; D629-V650 HydrophobicContact CB-CG1 4.44Å; D629-N655 PolarHBondContact N-ND2 2.89Å
630D79Confident66.7Low109 Ų10987.4 Ų87.458%0.58349%0.494SS*.Hα-helixtrans-57.4-23.2-179-72.6-30.8000113.3L628 S634L628-D630 PolarHBondContact O-N 3.2Å; D630-S634 VanDerWaalsContact O-CB 3.23Å; D630-S634 WeakPolarHBondContact O-CB 3.32Å; D630-S634 PolarHBondContact O-N 3.43Å; D630-S634 PolarHBondContact O-OG 2.64Å
631S83.4Confident69.3Low65 Ų6581 Ų8146%0.45546%0.459SS..Hα-helixtrans-71.4-44.6176.675.50000111.7D629 S634 Q635D629-S631 VanDerWaalsContact CG-OG 3.25Å; D629-S631 PolarHBondContact O-N 2.78Å; D629-S631 VanDerWaalsContact O-N 3.09Å; D629-S631 WeakPolarHBondContact OD1-CB 3.38Å; D629-S631 PolarHBondContact OD1-N 2.9Å; D629-S631 PolarHBondContact OD1-OG 3.24Å; D629-S631 PolarHBondContact OD2-OG 3.45Å; S631-S634 PolarHBondContact O-N 3.45Å; S631-Q635 WeakPolarHBondContact O-CG 3.47Å; S631-Q635 PolarHBondContact O-N 3.46Å
632T83.3Confident71.9Confident12 Ų1277.9 Ų77.97%0.07444%0.441CS..Hα-helixtrans-66.5-40.7173.7-63.50000111D629 S634 Q635 L636 V650 I658 A661D629-T632 PolarHBondContact O-N 3.05Å; D629-T632 VanDerWaalsContact O-N 3.09Å; D629-T632 WeakPolarHBondContact OD2-CB 3.36Å; D629-T632 PolarHBondContact OD2-N 3.49Å; D629-T632 PolarHBondContact OD2-OG1 2.88Å; T632-S634 PolarHBondContact O-N 2.93Å; T632-Q635 PolarHBondContact O-N 3.28Å; T632-L636 HydrophobicContact CG2-CD1 3.98Å; T632-L636 VanDerWaalsContact O-CG 3.3Å; T632-L636 WeakPolarHBondContact O-CG 3.46Å; T632-L636 PolarHBondContact O-N 3.43Å; T632-V650 HydrophobicContact CG2-CG2 3.71Å; T632-I658 HydrophobicContact CG2-CB 4.03Å; T632-I658 HydrophobicContact CG2-CG1 4.25Å; T632-A661 HydrophobicContact CG2-CB 4.35Å
633V84.1Confident74.3Confident4 Ų473.1 Ų73.12%0.02442%0.421CS..Hα-helixtrans-60.8-46.1176.3175.20000111D629 L636 C637 L643 C646 R647 V650D629-V633 PolarHBondContact O-N 3.07Å; V633-L636 PolarHBondContact O-N 3.21Å; V633-C637 PolarHBondContact O-N 2.92Å; V633-C637 PolarHBondContact O-SG 2.94Å; V633-L643 HydrophobicContact CG1-CD1 3.65Å; V633-C646 HydrophobicContact CG1-CB 3.93Å; V633-R647 HydrophobicContact CG1-CG 3.92Å; V633-R647 HydrophobicContact CG2-CG 4.32Å; V633-V650 HydrophobicContact CG2-CB 4.17Å; V633-V650 HydrophobicContact CG2-CG2 3.77Å
634S84.8Confident76.7Confident65 Ų6569.8 Ų69.846%0.45540%0.398SS..Hα-helixtrans-65-41-179.8-68.20000112.3D630 S631 T632 L636 C637 E638D630-S634 VanDerWaalsContact O-CB 3.23Å; D630-S634 WeakPolarHBondContact O-CB 3.32Å; D630-S634 PolarHBondContact O-N 3.43Å; D630-S634 PolarHBondContact O-OG 2.64Å; S631-S634 PolarHBondContact O-N 3.45Å; T632-S634 PolarHBondContact O-N 2.93Å; S634-L636 PolarHBondContact O-N 2.74Å; S634-C637 WeakPolarHBondContact O-CB 2.88Å; S634-C637 PolarHBondContact O-N 3.09Å; S634-E638 WeakPolarHBondContact O-CG 3.34Å; S634-E638 PolarHBondContact O-N 3.43Å
635Q85.1Confident78.8Confident93 Ų9360.5 Ų60.544%0.43536%0.358SS..Hα-helixtrans-63.4-41.2175.7-73.9176.36.600112.3S631 T632 C637 E638 M639 I658S631-Q635 WeakPolarHBondContact O-CG 3.47Å; S631-Q635 PolarHBondContact O-N 3.46Å; T632-Q635 PolarHBondContact O-N 3.28Å; Q635-C637 VanDerWaalsContact C-N 3.33Å; Q635-C637 PolarHBondContact O-N 3.48Å; Q635-E638 PolarHBondContact O-N 2.83Å; Q635-M639 VanDerWaalsContact O-CG 3.28Å; Q635-M639 WeakPolarHBondContact O-CG 3.29Å; Q635-M639 PolarHBondContact O-N 2.84Å; Q635-I658 HydrophobicContact CB-CD1 3.51Å; Q635-I658 HydrophobicContact CG-CD1 4.44Å; Q635-I658 VanDerWaalsContact OE1-CD1 3.25Å
636L84.8Confident80.9Confident0 Ų057.4 Ų57.40%033%0.332CS..Hα-helixtrans-66.4-36175.6-67167.2000111.9T632 V633 S634 M639 F641 C646 V650 I658 A661 M662 I665T632-L636 HydrophobicContact CG2-CD1 3.98Å; T632-L636 VanDerWaalsContact O-CG 3.3Å; T632-L636 WeakPolarHBondContact O-CG 3.46Å; T632-L636 PolarHBondContact O-N 3.43Å; V633-L636 PolarHBondContact O-N 3.21Å; S634-L636 PolarHBondContact O-N 2.74Å; L636-M639 HydrophobicContact CD2-SD 4.31Å; L636-M639 WeakPolarHBondContact O-CB 3.47Å; L636-M639 PolarHBondContact O-N 2.92Å; L636-F641 HydrophobicContact CB-CD2 4.41Å; L636-F641 HydrophobicContact CD2-CD2 4.37Å; L636-F641 WeakPolarHBondContact O-CB 3.48Å; L636-F641 WeakPolarHBondContact O-CD2 3.4Å; L636-F641 PolarHBondContact O-N 2.95Å; L636-C646 HydrophobicContact CB-CB 3.97Å; L636-C646 WeakPolarHBondContact CB-SG 3.2Å; L636-C646 HydrophobicContact CD1-CB 4.4Å; L636-V650 HydrophobicContact CD1-CG2 4.24Å; L636-I658 HydrophobicContact CD2-CD1 4.26Å; L636-I658 HydrophobicContact CD2-CG1 3.8Å; L636-I658 HydrophobicContact CG-CD1 4.38Å; L636-I658 HydrophobicContact CG-CG1 4.12Å; L636-A661 HydrophobicContact CD1-CB 3.64Å; L636-M662 HydrophobicContact CD2-CB 4.1Å; L636-I665 HydrophobicContact CB-CD1 4.26Å; L636-I665 HydrophobicContact CD1-CD1 3.91Å; L636-I665 HydrophobicContact CD2-CD1 4.05Å; L636-I665 HydrophobicContact CG-CD1 4.3Å
637C85.9Confident82.2Confident38 Ų3858.8 Ų58.826%0.25733%0.329SS..Hα-helixtrans-65.4-40.1172.1-68.40000112.5V633 S634 Q635 M639 G640 L643 C646V633-C637 PolarHBondContact O-N 2.92Å; V633-C637 PolarHBondContact O-SG 2.94Å; S634-C637 WeakPolarHBondContact O-CB 2.88Å; S634-C637 PolarHBondContact O-N 3.09Å; Q635-C637 VanDerWaalsContact C-N 3.33Å; Q635-C637 PolarHBondContact O-N 3.48Å; C637-M639 PolarHBondContact O-N 3.26Å; C637-G640 WeakPolarHBondContact O-CA 3.32Å; C637-G640 PolarHBondContact O-N 3.14Å; C637-L643 WeakPolarHBondContact SG-CD1 3.41Å; C637-C646 VanDerWaalsContact SG-SG 3.69Å
638E87.4Confident83Confident167 Ų16753.3 Ų53.378%0.7830%0.295SS*.Hα-helixtrans-63.3-29.7174.7-75.9179.6-17800112.2S634 Q635 G640S634-E638 WeakPolarHBondContact O-CG 3.34Å; S634-E638 PolarHBondContact O-N 3.43Å; Q635-E638 PolarHBondContact O-N 2.83Å; E638-G640 PolarHBondContact O-N 3.42Å
639M83.7Confident83.2Confident97 Ų9752.2 Ų52.248%0.47829%0.29SS..THydrogen-bonded Turntrans-73.4-3.9172.1-65.1172.371.500113.4Q635 L636 C637 F641 I658 M662Q635-M639 VanDerWaalsContact O-CG 3.28Å; Q635-M639 WeakPolarHBondContact O-CG 3.29Å; Q635-M639 PolarHBondContact O-N 2.84Å; L636-M639 HydrophobicContact CD2-SD 4.31Å; L636-M639 WeakPolarHBondContact O-CB 3.47Å; L636-M639 PolarHBondContact O-N 2.92Å; C637-M639 PolarHBondContact O-N 3.26Å; M639-F641 HydrophobicContact CB-CD2 4.07Å; M639-F641 HydrophobicContact CB-CE2 4.03Å; M639-F641 HydrophobicContact CE-CE2 4.37Å; M639-I658 HydrophobicContact SD-CD1 4.33Å; M639-M662 HydrophobicContact CE-CE 3.52Å; M639-M662 HydrophobicContact CE-SD 3.63Å
640G81Confident83.3Confident63 Ų6349.6 Ų49.665%0.64928%0.275SS*.THydrogen-bonded Turntrans98.17.3174.400000115C637 E638C637-G640 WeakPolarHBondContact O-CA 3.32Å; C637-G640 PolarHBondContact O-N 3.14Å; E638-G640 PolarHBondContact O-N 3.42Å
641F84.7Confident83.5Confident32 Ų3246.7 Ų46.714%0.1426%0.257CS..  trans-81.4146.3177.7-59.7-61.6000112.1L636 M639 C646 I665 M666 M669L636-F641 HydrophobicContact CB-CD2 4.41Å; L636-F641 HydrophobicContact CD2-CD2 4.37Å; L636-F641 WeakPolarHBondContact O-CB 3.48Å; L636-F641 WeakPolarHBondContact O-CD2 3.4Å; L636-F641 PolarHBondContact O-N 2.95Å; M639-F641 HydrophobicContact CB-CD2 4.07Å; M639-F641 HydrophobicContact CB-CE2 4.03Å; M639-F641 HydrophobicContact CE-CE2 4.37Å; F641-C646 VanDerWaalsContact CB-SG 3.56Å; F641-I665 HydrophobicContact CB-CD1 4.27Å; F641-I665 HydrophobicContact CD1-CG2 3.53Å; F641-I665 HydrophobicContact CD2-CD1 4.06Å; F641-I665 HydrophobicContact CD2-CG2 4.24Å; F641-I665 HydrophobicContact CE1-CG2 3.6Å; F641-I665 HydrophobicContact CE2-CG2 4.3Å; F641-I665 HydrophobicContact CG-CD1 4.17Å; F641-I665 HydrophobicContact CG-CG2 3.88Å; F641-I665 HydrophobicContact CZ-CG2 4Å; F641-M666 HydrophobicContact CZ-CE 4.36Å; F641-M669 HydrophobicContact CE1-CE 4.14Å
642P84Confident83.2Confident57 Ų5748.7 Ų48.737%0.3726%0.255SS..  trans-60.4138.8177.5-22.433000112.6E644 A645 C646 F674P642-E644 VanDerWaalsContact C-N 3.34Å; P642-E644 PolarHBondContact O-N 2.46Å; P642-A645 HydrophobicContact CB-CB 4.22Å; P642-A645 VanDerWaalsContact O-CB 3.31Å; P642-A645 WeakPolarHBondContact O-CB 3.36Å; P642-A645 PolarHBondContact O-N 3.44Å; P642-C646 PolarHBondContact O-N 3.36Å; P642-C646 PolarHBondContact O-SG 3.26Å; P642-F674 HydrophobicContact CG-CE1 4.07Å
643L81.6Confident83Confident94 Ų9449.5 Ų49.549%0.49226%0.26SS..Hα-helixtrans-53.4-46.1-174.8178.764.5000113.8V633 C637 A645 C646 R647V633-L643 HydrophobicContact CG1-CD1 3.65Å; C637-L643 WeakPolarHBondContact SG-CD1 3.41Å; L643-A645 VanDerWaalsContact C-N 3.33Å; L643-A645 PolarHBondContact O-N 3.35Å; L643-C646 WeakPolarHBondContact O-CB 3.42Å; L643-C646 PolarHBondContact O-N 2.8Å; L643-R647 VanDerWaalsContact O-CG 3.32Å; L643-R647 WeakPolarHBondContact O-CG 3.32Å; L643-R647 PolarHBondContact O-N 3.3Å
644E82.4Confident82.7Confident41 Ų4151.7 Ų51.719%0.19228%0.284CS..Hα-helixtrans-70.7-30.7-177.9-65.4-57.1132.500112.4P642 R647 K648 P677 L678P642-E644 VanDerWaalsContact C-N 3.34Å; P642-E644 PolarHBondContact O-N 2.46Å; E644-R647 PolarHBondContact O-N 2.85Å; E644-R647 WeakPolarHBondContact OE1-CD 3.1Å; E644-R647 IonicContact OE1-NH1 3.72Å; E644-R647 PolarHBondContact OE1-NH1 2.96Å; E644-R647 VanDerWaalsContact OE1-NH1 3.09Å; E644-K648 WeakPolarHBondContact O-CG 3.5Å; E644-K648 PolarHBondContact O-N 3.46Å; E644-P677 WeakPolarHBondContact OE2-CA 3.06Å; E644-L678 PolarHBondContact OE2-N 2.87Å
645A80.1Confident82.4Confident0 Ų051.7 Ų51.70%028%0.278CS..Hα-helixtrans-65.4-42.7170.700000111.7P642 L643 R647 K648 A649 F674P642-A645 HydrophobicContact CB-CB 4.22Å; P642-A645 VanDerWaalsContact O-CB 3.31Å; P642-A645 WeakPolarHBondContact O-CB 3.36Å; P642-A645 PolarHBondContact O-N 3.44Å; L643-A645 VanDerWaalsContact C-N 3.33Å; L643-A645 PolarHBondContact O-N 3.35Å; A645-R647 VanDerWaalsContact C-N 3.3Å; A645-R647 PolarHBondContact O-N 2.98Å; A645-K648 PolarHBondContact O-N 3.22Å; A645-A649 WeakPolarHBondContact O-CB 3.41Å; A645-A649 PolarHBondContact O-N 3.01Å; A645-F674 VanDerWaalsContact CA-O 3.27Å; A645-F674 WeakPolarHBondContact CA-O 3.31Å; A645-F674 HydrophobicContact CB-CD1 3.99Å; A645-F674 HydrophobicContact CB-CD2 3.8Å; A645-F674 HydrophobicContact CB-CE1 3.6Å; A645-F674 HydrophobicContact CB-CE2 3.43Å; A645-F674 VanDerWaalsContact CB-CE2 3.43Å; A645-F674 HydrophobicContact CB-CG 4.07Å; A645-F674 HydrophobicContact CB-CZ 3.3Å; A645-F674 VanDerWaalsContact CB-O 3.24Å; A645-F674 WeakPolarHBondContact CB-O 3.42Å
646C84.3Confident82.1Confident0 Ų052 Ų520%029%0.287CS..Hα-helixtrans-60.5-40.6175-59.70000111.6V633 L636 C637 F641 P642 L643 A649 V650V633-C646 HydrophobicContact CG1-CB 3.93Å; L636-C646 HydrophobicContact CB-CB 3.97Å; L636-C646 WeakPolarHBondContact CB-SG 3.2Å; L636-C646 HydrophobicContact CD1-CB 4.4Å; C637-C646 VanDerWaalsContact SG-SG 3.69Å; F641-C646 VanDerWaalsContact CB-SG 3.56Å; P642-C646 PolarHBondContact O-N 3.36Å; P642-C646 PolarHBondContact O-SG 3.26Å; L643-C646 WeakPolarHBondContact O-CB 3.42Å; L643-C646 PolarHBondContact O-N 2.8Å; C646-A649 PolarHBondContact O-N 3.33Å; C646-V650 WeakPolarHBondContact O-CG2 3.48Å; C646-V650 PolarHBondContact O-N 3.43Å
647R83.6Confident81.7Confident92 Ų9253.3 Ų53.335%0.34730%0.3SS..Hα-helixtrans-66.5-44.1176.8-67.5174.197.6165.49.5112L628 V633 L643 E644 A645 A649 V650 Y651L628-R647 HydrophobicContact CD1-CB 4.2Å; L628-R647 HydrophobicContact CD1-CG 4.45Å; V633-R647 HydrophobicContact CG1-CG 3.92Å; V633-R647 HydrophobicContact CG2-CG 4.32Å; L643-R647 VanDerWaalsContact O-CG 3.32Å; L643-R647 WeakPolarHBondContact O-CG 3.32Å; L643-R647 PolarHBondContact O-N 3.3Å; E644-R647 PolarHBondContact O-N 2.85Å; E644-R647 WeakPolarHBondContact OE1-CD 3.1Å; E644-R647 IonicContact OE1-NH1 3.72Å; E644-R647 PolarHBondContact OE1-NH1 2.96Å; E644-R647 VanDerWaalsContact OE1-NH1 3.09Å; A645-R647 VanDerWaalsContact C-N 3.3Å; A645-R647 PolarHBondContact O-N 2.98Å; R647-A649 VanDerWaalsContact C-N 3.34Å; R647-V650 PolarHBondContact O-N 2.93Å; R647-Y651 VanDerWaalsContact O-CB 3.29Å; R647-Y651 WeakPolarHBondContact O-CB 3.23Å; R647-Y651 PolarHBondContact O-N 3.13Å
648K82.4Confident81.5Confident11 Ų1153.6 Ų53.65%0.04830%0.299CS..Hα-helixtrans-58.8-45.4173-77-178.6171-173.60111.4E644 A645 V650 Y651 Y652 W664 D673 A676 L678E644-K648 WeakPolarHBondContact O-CG 3.5Å; E644-K648 PolarHBondContact O-N 3.46Å; A645-K648 PolarHBondContact O-N 3.22Å; K648-V650 PolarHBondContact O-N 3.29Å; K648-Y651 WeakPolarHBondContact O-CB 3.44Å; K648-Y651 PolarHBondContact O-N 3.16Å; K648-Y652 HydrophobicContact CB-CD2 4.2Å; K648-Y652 HydrophobicContact CB-CE2 4.32Å; K648-Y652 HydrophobicContact CG-CE2 4.43Å; K648-Y652 WeakPolarHBondContact O-CB 3.28Å; K648-Y652 WeakPolarHBondContact O-CD2 3.35Å; K648-Y652 PolarHBondContact O-N 3.33Å; K648-W664 HydrophobicContact CB-CH2 3.78Å; K648-W664 HydrophobicContact CB-CZ3 3.87Å; K648-D673 PolarHBondContact NZ-O 3.16Å; K648-D673 IonicContact NZ-OD2 3.45Å; K648-D673 PolarHBondContact NZ-OD2 2.87Å; K648-A676 WeakPolarHBondContact CE-O 3.35Å; K648-A676 PolarHBondContact NZ-O 3.06Å; K648-L678 HydrophobicContact CG-CB 4.08Å; K648-L678 HydrophobicContact CG-CD1 3.92Å
649A80.9Confident81.3Confident0 Ų051.4 Ų51.40%029%0.292CS..Hα-helixtrans-61.6-46.7-179.500000112.8A645 C646 R647 Y651 T653 A661 W664 I665A645-A649 WeakPolarHBondContact O-CB 3.41Å; A645-A649 PolarHBondContact O-N 3.01Å; C646-A649 PolarHBondContact O-N 3.33Å; R647-A649 VanDerWaalsContact C-N 3.34Å; A649-Y651 VanDerWaalsContact C-N 3.31Å; A649-Y651 PolarHBondContact O-N 2.99Å; A649-T653 WeakPolarHBondContact O-CB 3.32Å; A649-T653 VanDerWaalsContact O-CG2 3.23Å; A649-T653 WeakPolarHBondContact O-CG2 3.19Å; A649-T653 PolarHBondContact O-N 3.48Å; A649-T653 VanDerWaalsContact O-N 3.09Å; A649-T653 PolarHBondContact O-OG1 3.2Å; A649-A661 HydrophobicContact CB-CB 4.05Å; A649-A661 WeakPolarHBondContact CB-O 3.5Å; A649-W664 VanDerWaalsContact CA-CE3 3.41Å; A649-W664 HydrophobicContact CB-CB 4.42Å; A649-W664 HydrophobicContact CB-CD2 4.21Å; A649-W664 HydrophobicContact CB-CE3 3.52Å; A649-W664 HydrophobicContact CB-CZ3 4.18Å; A649-I665 HydrophobicContact CB-CD1 3.88Å; A649-I665 HydrophobicContact CB-CG1 3.49Å; A649-I665 VanDerWaalsContact CB-CG1 3.49Å
650V83.9Confident81Confident1 Ų148.3 Ų48.31%0.00628%0.282CS..Hα-helixtrans-65.2-37.1176.9173.90000111.1L628 D629 T632 V633 L636 C646 R647 K648 T653 G654 N655 A661L628-V650 HydrophobicContact CB-CG1 4.48Å; L628-V650 HydrophobicContact CD2-CB 4.35Å; L628-V650 HydrophobicContact CD2-CG1 4.02Å; D629-V650 HydrophobicContact CB-CG1 4.44Å; T632-V650 HydrophobicContact CG2-CG2 3.71Å; V633-V650 HydrophobicContact CG2-CB 4.17Å; V633-V650 HydrophobicContact CG2-CG2 3.77Å; L636-V650 HydrophobicContact CD1-CG2 4.24Å; C646-V650 WeakPolarHBondContact O-CG2 3.48Å; C646-V650 PolarHBondContact O-N 3.43Å; R647-V650 PolarHBondContact O-N 2.93Å; K648-V650 PolarHBondContact O-N 3.29Å; V650-T653 PolarHBondContact O-OG1 3.05Å; V650-G654 PolarHBondContact O-N 3.44Å; V650-N655 PolarHBondContact O-N 2.84Å; V650-N655 PolarHBondContact O-OD1 2.91Å; V650-A661 HydrophobicContact CG2-CB 4.12Å
651Y82.4Confident81.1Confident49 Ų4945.3 Ų45.319%0.19225%0.251CS..Hα-helixtrans-65.6-54.9176.7-179.6-107.3000112.9P626 L628 R647 K648 A649 T653 G654 L678 L680P626-Y651 HydrophobicContact CG-CD2 4.23Å; P626-Y651 HydrophobicContact CG-CE2 3.81Å; L628-Y651 HydrophobicContact CD2-CD2 4.3Å; R647-Y651 VanDerWaalsContact O-CB 3.29Å; R647-Y651 WeakPolarHBondContact O-CB 3.23Å; R647-Y651 PolarHBondContact O-N 3.13Å; K648-Y651 WeakPolarHBondContact O-CB 3.44Å; K648-Y651 PolarHBondContact O-N 3.16Å; A649-Y651 VanDerWaalsContact C-N 3.31Å; A649-Y651 PolarHBondContact O-N 2.99Å; Y651-T653 VanDerWaalsContact C-N 3.26Å; Y651-T653 PolarHBondContact O-N 3.38Å; Y651-G654 PolarHBondContact O-N 3.48Å; Y651-L678 HydrophobicContact CD1-CD1 3.84Å; Y651-L678 HydrophobicContact CD1-CD2 4.2Å; Y651-L678 HydrophobicContact CD2-CD2 4.21Å; Y651-L678 HydrophobicContact CE1-CD1 4.32Å; Y651-L678 HydrophobicContact CG-CD1 4.26Å; Y651-L678 HydrophobicContact CG-CD2 3.76Å; Y651-L680 HydrophobicContact CD2-CD2 3.59Å; Y651-L680 HydrophobicContact CE1-CD2 4.32Å; Y651-L680 HydrophobicContact CE2-CD2 3.19Å; Y651-L680 HydrophobicContact CG-CD2 4.29Å
652Y77Confident81Confident107 Ų10746.2 Ų46.242%0.4226%0.257SS..Hα-helixtrans-71.6-20.7-175.6-76.5-67.4000113.4K648 W664 L678K648-Y652 HydrophobicContact CB-CD2 4.2Å; K648-Y652 HydrophobicContact CB-CE2 4.32Å; K648-Y652 HydrophobicContact CG-CE2 4.43Å; K648-Y652 WeakPolarHBondContact O-CB 3.28Å; K648-Y652 WeakPolarHBondContact O-CD2 3.35Å; K648-Y652 PolarHBondContact O-N 3.33Å; Y652-W664 AromaticContact CD2-CE2 3.97Å; Y652-W664 AromaticContact CD2-CH2 3.88Å; Y652-W664 HydrophobicContact CD2-CH2 3.88Å; Y652-W664 AromaticContact CD2-CZ2 3.36Å; Y652-W664 HydrophobicContact CD2-CZ2 3.36Å; Y652-W664 HydrophobicContact CE2-CH2 4.37Å; Y652-W664 HydrophobicContact CE2-CZ2 4.03Å; Y652-W664 AromaticContact CG-CZ2 3.91Å; Y652-W664 HydrophobicContact CG-CZ2 3.91Å; Y652-L678 HydrophobicContact CE2-CD1 4.44Å
653T79.5Confident80.8Confident28 Ų2848.7 Ų48.717%0.17227%0.267CS..THydrogen-bonded Turntrans-89-5.7171.459.60000113.1A649 V650 Y651 T656 A660 W664A649-T653 WeakPolarHBondContact O-CB 3.32Å; A649-T653 VanDerWaalsContact O-CG2 3.23Å; A649-T653 WeakPolarHBondContact O-CG2 3.19Å; A649-T653 PolarHBondContact O-N 3.48Å; A649-T653 VanDerWaalsContact O-N 3.09Å; A649-T653 PolarHBondContact O-OG1 3.2Å; V650-T653 PolarHBondContact O-OG1 3.05Å; Y651-T653 VanDerWaalsContact C-N 3.26Å; Y651-T653 PolarHBondContact O-N 3.38Å; T653-T656 WeakPolarHBondContact O-CG2 3.2Å; T653-T656 PolarHBondContact O-OG1 3.33Å; T653-A660 HydrophobicContact CG2-CB 4.25Å; T653-W664 HydrophobicContact CG2-CB 3.72Å; T653-W664 HydrophobicContact CG2-CG 4.1Å
654G76.9Confident80.9Confident51 Ų5146.3 Ų46.353%0.52625%0.251SS..THydrogen-bonded Turntrans66.538.217800000113.6V650 Y651 T656V650-G654 PolarHBondContact O-N 3.44Å; Y651-G654 PolarHBondContact O-N 3.48Å; G654-T656 VanDerWaalsContact C-N 3.27Å; G654-T656 PolarHBondContact O-N 3.38Å
655N79.4Confident80.8Confident64 Ų6444.4 Ų44.434%0.34224%0.242SC..THydrogen-bonded Turntrans57.331.1-179.9-59.644.3000114.5V627 D629 V650 G657V627-N655 PolarHBondContact O-ND2 3.45Å; D629-N655 PolarHBondContact N-ND2 2.89Å; V650-N655 PolarHBondContact O-N 2.84Å; V650-N655 PolarHBondContact O-OD1 2.91Å; N655-G657 PolarHBondContact O-N 3.32Å; N655-G657 VanDerWaalsContact O-N 3.09Å
656T77.4Confident80.8Confident101 Ų10148.9 Ų48.962%0.6227%0.265SS*.  trans-76.912.1-178.153.10000114.9T653 G654 A660T653-T656 WeakPolarHBondContact O-CG2 3.2Å; T653-T656 PolarHBondContact O-OG1 3.33Å; G654-T656 VanDerWaalsContact C-N 3.27Å; G654-T656 PolarHBondContact O-N 3.38Å; T656-A660 WeakPolarHBondContact OG1-CB 3.47Å
657G77.2Confident80.3Confident27 Ų2753.1 Ų53.128%0.27829%0.294SS..  trans104.3171.3177.800000114.7N655 D659 A660 A661N655-G657 PolarHBondContact O-N 3.32Å; N655-G657 VanDerWaalsContact O-N 3.09Å; G657-D659 PolarHBondContact O-N 3.43Å; G657-A660 PolarHBondContact O-N 2.89Å; G657-A661 PolarHBondContact O-N 2.83Å
658I81.8Confident80Confident44 Ų4450.4 Ų50.423%0.22629%0.285CS..Hα-helixtrans-64.4-37.8-170.2-166.7162.1000114.2T632 Q635 L636 M639 A660 A661 M662T632-I658 HydrophobicContact CG2-CB 4.03Å; T632-I658 HydrophobicContact CG2-CG1 4.25Å; Q635-I658 HydrophobicContact CB-CD1 3.51Å; Q635-I658 HydrophobicContact CG-CD1 4.44Å; Q635-I658 VanDerWaalsContact OE1-CD1 3.25Å; L636-I658 HydrophobicContact CD2-CD1 4.26Å; L636-I658 HydrophobicContact CD2-CG1 3.8Å; L636-I658 HydrophobicContact CG-CD1 4.38Å; L636-I658 HydrophobicContact CG-CG1 4.12Å; M639-I658 HydrophobicContact SD-CD1 4.33Å; I658-A660 VanDerWaalsContact C-N 3.34Å; I658-A660 PolarHBondContact O-N 3.43Å; I658-A661 PolarHBondContact O-N 2.97Å; I658-M662 VanDerWaalsContact O-CB 3.28Å; I658-M662 WeakPolarHBondContact O-CB 3.26Å; I658-M662 PolarHBondContact O-N 3.25Å
659D82.1Confident79.8Confident120 Ų12053.6 Ų53.664%0.64230%0.301SS*.Hα-helixtrans-66-37.8-178.1-64.8-41000112G657 N663G657-D659 PolarHBondContact O-N 3.43Å; D659-N663 WeakPolarHBondContact O-CB 2.98Å; D659-N663 PolarHBondContact O-N 2.72Å; D659-N663 PolarHBondContact O-ND2 2.79Å
660A79.3Confident79.4Confident32 Ų3260.3 Ų60.326%0.26434%0.337SS..Hα-helixtrans-67.9-45.3176.300000111T653 T656 G657 I658 N663 W664T653-A660 HydrophobicContact CG2-CB 4.25Å; T656-A660 WeakPolarHBondContact OG1-CB 3.47Å; G657-A660 PolarHBondContact O-N 2.89Å; I658-A660 VanDerWaalsContact C-N 3.34Å; I658-A660 PolarHBondContact O-N 3.43Å; A660-N663 PolarHBondContact O-N 2.96Å; A660-W664 PolarHBondContact O-N 2.91Å
661A82.9Confident78.9Confident0 Ų061.3 Ų61.30%034%0.342CS..Hα-helixtrans-65.7-38177.300000112.1T632 L636 A649 V650 G657 I658 W664 I665T632-A661 HydrophobicContact CG2-CB 4.35Å; L636-A661 HydrophobicContact CD1-CB 3.64Å; A649-A661 HydrophobicContact CB-CB 4.05Å; A649-A661 WeakPolarHBondContact CB-O 3.5Å; V650-A661 HydrophobicContact CG2-CB 4.12Å; G657-A661 PolarHBondContact O-N 2.83Å; I658-A661 PolarHBondContact O-N 2.97Å; A661-W664 PolarHBondContact O-N 3.17Å; A661-I665 WeakPolarHBondContact O-CG1 3.42Å; A661-I665 PolarHBondContact O-N 2.68Å
662M81.2Confident77.6Confident52 Ų5263.3 Ų63.326%0.25636%0.362SS..Hα-helixtrans-65.4-43175-173.7-179.2-178.400111.8L636 M639 I658 W664 I665 M666L636-M662 HydrophobicContact CD2-CB 4.1Å; M639-M662 HydrophobicContact CE-CE 3.52Å; M639-M662 HydrophobicContact CE-SD 3.63Å; I658-M662 VanDerWaalsContact O-CB 3.28Å; I658-M662 WeakPolarHBondContact O-CB 3.26Å; I658-M662 PolarHBondContact O-N 3.25Å; M662-W664 VanDerWaalsContact C-N 3.31Å; M662-W664 PolarHBondContact O-N 3.4Å; M662-I665 PolarHBondContact O-N 2.92Å; M662-M666 HydrophobicContact CE-CE 3.53Å; M662-M666 WeakPolarHBondContact O-CB 3.17Å; M662-M666 VanDerWaalsContact O-CG 3.23Å; M662-M666 WeakPolarHBondContact O-CG 3.45Å; M662-M666 PolarHBondContact O-N 2.99Å
663N81.3Confident77.1Confident108 Ų10862 Ų6258%0.57836%0.362SS*.Hα-helixtrans-62.9-39.1174.6-78.5-32.5000112D659 A660 M666 S667D659-N663 WeakPolarHBondContact O-CB 2.98Å; D659-N663 PolarHBondContact O-N 2.72Å; D659-N663 PolarHBondContact O-ND2 2.79Å; A660-N663 PolarHBondContact O-N 2.96Å; N663-M666 PolarHBondContact O-N 3.13Å; N663-S667 WeakPolarHBondContact O-CB 3.49Å; N663-S667 PolarHBondContact O-N 3Å; N663-S667 VanDerWaalsContact O-N 3.12Å; N663-S667 PolarHBondContact O-OG 2.64Å
664W82.1Confident76.6Confident45 Ų4561.6 Ų61.617%0.1736%0.358CS..Hα-helixtrans-62.7-47.9174.2-168.694.8000110.9K648 A649 Y652 T653 A660 A661 M662 M666 S667 H668K648-W664 HydrophobicContact CB-CH2 3.78Å; K648-W664 HydrophobicContact CB-CZ3 3.87Å; A649-W664 VanDerWaalsContact CA-CE3 3.41Å; A649-W664 HydrophobicContact CB-CB 4.42Å; A649-W664 HydrophobicContact CB-CD2 4.21Å; A649-W664 HydrophobicContact CB-CE3 3.52Å; A649-W664 HydrophobicContact CB-CZ3 4.18Å; Y652-W664 AromaticContact CD2-CE2 3.97Å; Y652-W664 AromaticContact CD2-CH2 3.88Å; Y652-W664 HydrophobicContact CD2-CH2 3.88Å; Y652-W664 AromaticContact CD2-CZ2 3.36Å; Y652-W664 HydrophobicContact CD2-CZ2 3.36Å; Y652-W664 HydrophobicContact CE2-CH2 4.37Å; Y652-W664 HydrophobicContact CE2-CZ2 4.03Å; Y652-W664 AromaticContact CG-CZ2 3.91Å; Y652-W664 HydrophobicContact CG-CZ2 3.91Å; T653-W664 HydrophobicContact CG2-CB 3.72Å; T653-W664 HydrophobicContact CG2-CG 4.1Å; A660-W664 PolarHBondContact O-N 2.91Å; A661-W664 PolarHBondContact O-N 3.17Å; M662-W664 VanDerWaalsContact C-N 3.31Å; M662-W664 PolarHBondContact O-N 3.4Å; W664-M666 PolarHBondContact O-N 3.45Å; W664-S667 PolarHBondContact O-N 2.93Å; W664-S667 VanDerWaalsContact O-N 3.13Å; W664-H668 AromaticContact CD1-CE1 3.64Å; W664-H668 AromaticContact CD1-ND1 3.88Å; W664-H668 HydrophobicContact CD2-CB 4.47Å; W664-H668 AromaticContact CD2-ND1 3.64Å; W664-H668 AromaticContact CE2-CD2 3.99Å; W664-H668 AromaticContact CE2-CE1 3.7Å; W664-H668 AromaticContact CE2-CG 3.81Å; W664-H668 AromaticContact CE2-ND1 3.6Å; W664-H668 AromaticContact CE2-NE2 3.92Å; W664-H668 HydrophobicContact CE3-CB 4.19Å; W664-H668 AromaticContact CG-ND1 3.84Å; W664-H668 HydrophobicContact CH2-CB 4Å; W664-H668 HydrophobicContact CZ2-CB 4.28Å; W664-H668 AromaticContact CZ2-CD2 3.81Å; W664-H668 AromaticContact CZ2-CG 3.83Å; W664-H668 HydrophobicContact CZ3-CB 3.96Å; W664-H668 AromaticContact NE1-CE1 3.39Å; W664-H668 PolarHBondContact NE1-CE1 3.23Å; W664-H668 AromaticContact NE1-ND1 3.73Å; W664-H668 AromaticContact NE1-NE2 3.71Å; W664-H668 PolarHBondContact O-N 2.91Å; W664-H668 PolarHBondContact O-ND1 3.44Å
665I81.7Confident76.2Confident0 Ų062.9 Ų62.90%036%0.359CS..Hα-helixtrans-55.8-51.7175.6-75.4169000111L636 F641 A649 A661 M662 S667 H668 M669 F674L636-I665 HydrophobicContact CB-CD1 4.26Å; L636-I665 HydrophobicContact CD1-CD1 3.91Å; L636-I665 HydrophobicContact CD2-CD1 4.05Å; L636-I665 HydrophobicContact CG-CD1 4.3Å; F641-I665 HydrophobicContact CB-CD1 4.27Å; F641-I665 HydrophobicContact CD1-CG2 3.53Å; F641-I665 HydrophobicContact CD2-CD1 4.06Å; F641-I665 HydrophobicContact CD2-CG2 4.24Å; F641-I665 HydrophobicContact CE1-CG2 3.6Å; F641-I665 HydrophobicContact CE2-CG2 4.3Å; F641-I665 HydrophobicContact CG-CD1 4.17Å; F641-I665 HydrophobicContact CG-CG2 3.88Å; F641-I665 HydrophobicContact CZ-CG2 4Å; A649-I665 HydrophobicContact CB-CD1 3.88Å; A649-I665 HydrophobicContact CB-CG1 3.49Å; A649-I665 VanDerWaalsContact CB-CG1 3.49Å; A661-I665 WeakPolarHBondContact O-CG1 3.42Å; A661-I665 PolarHBondContact O-N 2.68Å; M662-I665 PolarHBondContact O-N 2.92Å; I665-S667 PolarHBondContact O-N 3.09Å; I665-S667 VanDerWaalsContact O-N 3.15Å; I665-H668 CarbonylContact O-C 3.59Å; I665-H668 PolarHBondContact O-N 3.32Å; I665-H668 VanDerWaalsContact O-N 3.09Å; I665-M669 WeakPolarHBondContact O-CA 3.36Å; I665-M669 VanDerWaalsContact O-CB 3.3Å; I665-M669 WeakPolarHBondContact O-CB 3.38Å; I665-M669 PolarHBondContact O-N 3.36Å; I665-F674 HydrophobicContact CB-CE2 4.42Å; I665-F674 HydrophobicContact CG1-CE2 4.4Å; I665-F674 HydrophobicContact CG2-CE2 4.04Å; I665-F674 HydrophobicContact CG2-CZ 3.75Å
666M78.9Confident75.7Confident95 Ų9561.6 Ų61.647%0.46836%0.357SS..Hα-helixtrans-58.1-31.2-179.2-71.8-83.9-170.600112.5F641 M662 N663 W664F641-M666 HydrophobicContact CZ-CE 4.36Å; M662-M666 HydrophobicContact CE-CE 3.53Å; M662-M666 WeakPolarHBondContact O-CB 3.17Å; M662-M666 VanDerWaalsContact O-CG 3.23Å; M662-M666 WeakPolarHBondContact O-CG 3.45Å; M662-M666 PolarHBondContact O-N 2.99Å; N663-M666 PolarHBondContact O-N 3.13Å; W664-M666 PolarHBondContact O-N 3.45Å
667S75.3Confident75.2Confident89 Ų8961.3 Ų61.362%0.62236%0.356SS*.Hα-helixtrans-86.6-16.8-179-580000113.9N663 W664 I665N663-S667 WeakPolarHBondContact O-CB 3.49Å; N663-S667 PolarHBondContact O-N 3Å; N663-S667 VanDerWaalsContact O-N 3.12Å; N663-S667 PolarHBondContact O-OG 2.64Å; W664-S667 PolarHBondContact O-N 2.93Å; W664-S667 VanDerWaalsContact O-N 3.13Å; I665-S667 PolarHBondContact O-N 3.09Å; I665-S667 VanDerWaalsContact O-N 3.15Å
668H75.9Confident74.7Confident35 Ų3561.5 Ų61.516%0.16235%0.351CS..Hα-helixtrans-122.27.9-175.6-59.876.7000112.3W664 I665 D670 D671 F674W664-H668 AromaticContact CD1-CE1 3.64Å; W664-H668 AromaticContact CD1-ND1 3.88Å; W664-H668 HydrophobicContact CD2-CB 4.47Å; W664-H668 AromaticContact CD2-ND1 3.64Å; W664-H668 AromaticContact CE2-CD2 3.99Å; W664-H668 AromaticContact CE2-CE1 3.7Å; W664-H668 AromaticContact CE2-CG 3.81Å; W664-H668 AromaticContact CE2-ND1 3.6Å; W664-H668 AromaticContact CE2-NE2 3.92Å; W664-H668 HydrophobicContact CE3-CB 4.19Å; W664-H668 AromaticContact CG-ND1 3.84Å; W664-H668 HydrophobicContact CH2-CB 4Å; W664-H668 HydrophobicContact CZ2-CB 4.28Å; W664-H668 AromaticContact CZ2-CD2 3.81Å; W664-H668 AromaticContact CZ2-CG 3.83Å; W664-H668 HydrophobicContact CZ3-CB 3.96Å; W664-H668 AromaticContact NE1-CE1 3.39Å; W664-H668 PolarHBondContact NE1-CE1 3.23Å; W664-H668 AromaticContact NE1-ND1 3.73Å; W664-H668 AromaticContact NE1-NE2 3.71Å; W664-H668 PolarHBondContact O-N 2.91Å; W664-H668 PolarHBondContact O-ND1 3.44Å; I665-H668 CarbonylContact O-C 3.59Å; I665-H668 PolarHBondContact O-N 3.32Å; I665-H668 VanDerWaalsContact O-N 3.09Å; H668-D670 PolarHBondContact O-N 3.01Å; H668-D671 IonicContact CD2-OD2 3.19Å; H668-D671 PolarHBondContact CD2-OD2 3.17Å; H668-D671 VanDerWaalsContact CD2-OD2 3.25Å; H668-D671 IonicContact CG-OD2 3.86Å; H668-D671 WeakPolarHBondContact O-CB 3.49Å; H668-D671 VanDerWaalsContact O-CG 3.32Å; H668-D671 PolarHBondContact O-N 2.96Å; H668-F674 HydrophobicContact CB-CD2 4.48Å; H668-F674 WeakPolarHBondContact O-CB 3.12Å; H668-F674 WeakPolarHBondContact O-CD2 3.17Å; H668-F674 WeakPolarHBondContact O-CG 3.04Å
669M79Confident73.5Confident77 Ų7765.1 Ų65.138%0.37938%0.375SS..THydrogen-bonded Turntrans-67.3-22.3-175.370-170.8-28.500114.2F641 I665 D671 F674F641-M669 HydrophobicContact CE1-CE 4.14Å; I665-M669 WeakPolarHBondContact O-CA 3.36Å; I665-M669 VanDerWaalsContact O-CB 3.3Å; I665-M669 WeakPolarHBondContact O-CB 3.38Å; I665-M669 PolarHBondContact O-N 3.36Å; M669-D671 VanDerWaalsContact C-N 3.35Å; M669-F674 HydrophobicContact CB-CE1 4.12Å; M669-F674 HydrophobicContact CB-CE2 4.1Å; M669-F674 HydrophobicContact CB-CZ 3.87Å
670D71.6Confident72Confident141 Ų14161 Ų6175%0.75435%0.352SS*.THydrogen-bonded Turntrans-922.7175.9-64.9-38.2000112.3H668H668-D670 PolarHBondContact O-N 3.01Å
671D73.4Confident69.9Low22 Ų2264 Ų6412%0.11837%0.37CS..  trans-71.3139-178.9-68.412.6000110.7W540 H668 M669 D673 F674W540-D671 HydrophobicContact CH2-CB 4.48Å; W540-D671 WeakPolarHBondContact CH2-OD1 3.46Å; H668-D671 IonicContact CD2-OD2 3.19Å; H668-D671 PolarHBondContact CD2-OD2 3.17Å; H668-D671 VanDerWaalsContact CD2-OD2 3.25Å; H668-D671 IonicContact CG-OD2 3.86Å; H668-D671 WeakPolarHBondContact O-CB 3.49Å; H668-D671 VanDerWaalsContact O-CG 3.32Å; H668-D671 PolarHBondContact O-N 2.96Å; M669-D671 VanDerWaalsContact C-N 3.35Å; D671-D673 PolarHBondContact O-N 3.01Å; D671-D673 VanDerWaalsContact O-N 3.15Å; D671-F674 HydrophobicContact CB-CB 4.2Å; D671-F674 WeakPolarHBondContact O-CB 3.49Å; D671-F674 PolarHBondContact O-N 2.76Å
672P55.8Low68Low92 Ų9268 Ų6860%0.59741%0.41SS*.THydrogen-bonded Turntrans-59.6-30.5-177.5-21.330.7000113.9
673D66.1Low65.6Low78 Ų7868 Ų6842%0.41742%0.416SS..THydrogen-bonded Turntrans-99.87-179.976.9-46.5000112.5K648 D671 S675 A676K648-D673 PolarHBondContact NZ-O 3.16Å; K648-D673 IonicContact NZ-OD2 3.45Å; K648-D673 PolarHBondContact NZ-OD2 2.87Å; D671-D673 PolarHBondContact O-N 3.01Å; D671-D673 VanDerWaalsContact O-N 3.15Å; D673-S675 PolarHBondContact O-N 2.99Å; D673-A676 HydrophobicContact CB-CB 4.11Å; D673-A676 VanDerWaalsContact O-CB 3.29Å; D673-A676 WeakPolarHBondContact O-CB 3.16Å; D673-A676 PolarHBondContact O-N 3.45Å
674F69.5Low63.2Low21 Ų2167.9 Ų67.99%0.09242%0.423CS..THydrogen-bonded Turntrans-49.3-39.8-175.1176.3-114.1000113.1P642 A645 I665 H668 M669 D671P642-F674 HydrophobicContact CG-CE1 4.07Å; A645-F674 VanDerWaalsContact CA-O 3.27Å; A645-F674 WeakPolarHBondContact CA-O 3.31Å; A645-F674 HydrophobicContact CB-CD1 3.99Å; A645-F674 HydrophobicContact CB-CD2 3.8Å; A645-F674 HydrophobicContact CB-CE1 3.6Å; A645-F674 HydrophobicContact CB-CE2 3.43Å; A645-F674 VanDerWaalsContact CB-CE2 3.43Å; A645-F674 HydrophobicContact CB-CG 4.07Å; A645-F674 HydrophobicContact CB-CZ 3.3Å; A645-F674 VanDerWaalsContact CB-O 3.24Å; A645-F674 WeakPolarHBondContact CB-O 3.42Å; I665-F674 HydrophobicContact CB-CE2 4.42Å; I665-F674 HydrophobicContact CG1-CE2 4.4Å; I665-F674 HydrophobicContact CG2-CE2 4.04Å; I665-F674 HydrophobicContact CG2-CZ 3.75Å; H668-F674 HydrophobicContact CB-CD2 4.48Å; H668-F674 WeakPolarHBondContact O-CB 3.12Å; H668-F674 WeakPolarHBondContact O-CD2 3.17Å; H668-F674 WeakPolarHBondContact O-CG 3.04Å; M669-F674 HydrophobicContact CB-CE1 4.12Å; M669-F674 HydrophobicContact CB-CE2 4.1Å; M669-F674 HydrophobicContact CB-CZ 3.87Å; D671-F674 HydrophobicContact CB-CB 4.2Å; D671-F674 WeakPolarHBondContact O-CB 3.49Å; D671-F674 PolarHBondContact O-N 2.76Å
675S67.7Low60.8Low78 Ų7870.7 Ų70.755%0.54545%0.449SS..THydrogen-bonded Turntrans-96.90.3178.759.50000114.8D673D673-S675 PolarHBondContact O-N 2.99Å
676A69.6Low58.2Low36 Ų3673.5 Ų73.530%0.29848%0.478SS..SBendtrans-73.9147.7179.600000111.5K648 D673K648-A676 WeakPolarHBondContact CE-O 3.35Å; K648-A676 PolarHBondContact NZ-O 3.06Å; D673-A676 HydrophobicContact CB-CB 4.11Å; D673-A676 VanDerWaalsContact O-CB 3.29Å; D673-A676 WeakPolarHBondContact O-CB 3.16Å; D673-A676 PolarHBondContact O-N 3.45Å
677P67.6Low56.2Low95 Ų9576.1 Ų76.162%0.61750%0.503SS*.  trans-58.7138.6-178.1-21.331.4000113.1E644 V679E644-P677 WeakPolarHBondContact OE2-CA 3.06Å; P677-V679 PolarHBondContact O-N 3.25Å
678L65.6Low54.1Low32 Ų3274.5 Ų74.517%0.16850%0.5CS..  trans-74113.9174.6179.171.5000110.4L628 E644 K648 Y651 Y652 L680L628-L678 HydrophobicContact CD1-CD2 4.22Å; E644-L678 PolarHBondContact OE2-N 2.87Å; K648-L678 HydrophobicContact CG-CB 4.08Å; K648-L678 HydrophobicContact CG-CD1 3.92Å; Y651-L678 HydrophobicContact CD1-CD1 3.84Å; Y651-L678 HydrophobicContact CD1-CD2 4.2Å; Y651-L678 HydrophobicContact CD2-CD2 4.21Å; Y651-L678 HydrophobicContact CE1-CD1 4.32Å; Y651-L678 HydrophobicContact CG-CD1 4.26Å; Y651-L678 HydrophobicContact CG-CD2 3.76Å; Y652-L678 HydrophobicContact CE2-CD1 4.44Å; L678-L680 HydrophobicContact CD2-CD2 3.91Å; L678-L680 HydrophobicContact CG-CD2 4.17Å
679V57.4Low51.9Low119 Ų11979.6 Ų79.672%0.72153%0.534SS*.  trans-98.6112.3173.4-174.90000108.9P677P677-V679 PolarHBondContact O-N 3.25Å
680L49.3Very low49.5Very low33 Ų3381.3 Ų81.317%0.17355%0.549CS..  trans-79.8141.8178.6-56.2166.6000110.5Y651 L678 G682 S683Y651-L680 HydrophobicContact CD2-CD2 3.59Å; Y651-L680 HydrophobicContact CE1-CD2 4.32Å; Y651-L680 HydrophobicContact CE2-CD2 3.19Å; Y651-L680 HydrophobicContact CG-CD2 4.29Å; L678-L680 HydrophobicContact CD2-CD2 3.91Å; L678-L680 HydrophobicContact CG-CD2 4.17Å; L680-G682 PolarHBondContact O-N 2.83Å; L680-G682 VanDerWaalsContact O-N 3.11Å; L680-S683 VanDerWaalsContact CB-OG 3.31Å; L680-S683 WeakPolarHBondContact CB-OG 3.43Å; L680-S683 PolarHBondContact N-OG 3.19Å; L680-S683 PolarHBondContact O-N 3.16Å; L680-S683 VanDerWaalsContact O-N 3.13Å; L680-S683 PolarHBondContact O-OG 3.33Å
681P35.9Very low47.6Very low97 Ų9779.1 Ų79.163%0.6354%0.542SS*.THydrogen-bonded Turntrans-62.4116.8172.8-13.927000109.4
682G43.3Very low46Very low82 Ų8285 Ų8585%0.84558%0.579SS**THydrogen-bonded Turntrans94.9-2.5-178.900000115.8L680 S684L680-G682 PolarHBondContact O-N 2.83Å; L680-G682 VanDerWaalsContact O-N 3.11Å; G682-S684 PolarHBondContact O-N 2.94Å
683S31.4Very low45.5Very low54 Ų5485.9 Ų85.938%0.37858%0.575SS.*  trans-94.382.6166.962.70000110.1L680 S685L680-S683 VanDerWaalsContact CB-OG 3.31Å; L680-S683 WeakPolarHBondContact CB-OG 3.43Å; L680-S683 PolarHBondContact N-OG 3.19Å; L680-S683 PolarHBondContact O-N 3.16Å; L680-S683 VanDerWaalsContact O-N 3.13Å; L680-S683 PolarHBondContact O-OG 3.33Å; S683-S685 PolarHBondContact O-N 2.98Å
684S29.6Very low45.2Very low105 Ų10587.4 Ų87.473%0.73459%0.592SS**  trans-54.6131.1144.751.80000107.2G682G682-S684 PolarHBondContact O-N 2.94Å
685S31.6Very low45.2Very low103 Ų10388.5 Ų88.572%0.7260%0.599SS**SBendtrans-10.6126.4167.336.10000115.7S683S683-S685 PolarHBondContact O-N 2.98Å
686G28.1Very low45.8Very low59 Ų5986.6 Ų86.661%0.60859%0.585SS**  trans-53.9163.9-176.200000115.5G688G686-G688 PolarHBondContact O-N 2.97Å
687P35.8Very low46.5Very low150 Ų15091.3 Ų91.397%0.97460%0.601SS**SBendtrans-72.589-174.130.9-33.1000110.3
688G32.1Very low47.3Very low55 Ų5593.7 Ų93.757%0.56760%0.604SS**SBendtrans-167.396.5175.200000108.4G686G686-G688 PolarHBondContact O-N 2.97Å
689T29.7Very low48.3Very low142 Ų14294.6 Ų94.687%0.87161%0.607SS**  trans60.964.2175.766.70000116.5P691T689-P691 WeakPolarHBondContact O-CD 3.49Å
690T29Very low49.6Very low114 Ų11489.2 Ų89.270%0.69957%0.574SS**  trans-77.9117.6141.344.40000106.8T692T690-T692 PolarHBondContact O-N 3.46Å
691P32.1Very low51.3Low94 Ų9490.5 Ų90.561%0.6159%0.59SS**  trans-59.8124.1153.716.2-6.4000104.9T689 E693T689-P691 WeakPolarHBondContact O-CD 3.49Å; P691-E693 HydrophobicContact CB-CG 3.97Å; P691-E693 HydrophobicContact CG-CG 4.09Å; P691-E693 PolarHBondContact O-N 3.12Å
692T38.1Very low53.7Low146 Ų14688 Ų8890%0.89657%0.573SS**  trans-5776.2150.415.50000106.4T690 S694T690-T692 PolarHBondContact O-N 3.46Å; T692-S694 VanDerWaalsContact C-N 3.35Å; T692-S694 PolarHBondContact O-N 3.27Å
693E46.3Very low55.6Low111 Ų11184.1 Ų84.152%0.51953%0.532SS..  trans-67.9105.9163.7-74.2-167.716800104.9P691 L695 N722P691-E693 HydrophobicContact CB-CG 3.97Å; P691-E693 HydrophobicContact CG-CG 4.09Å; P691-E693 PolarHBondContact O-N 3.12Å; E693-L695 PolarHBondContact O-N 2.92Å; E693-N722 WeakPolarHBondContact CB-ND2 3.33Å; E693-N722 PolarHBondContact OE2-ND2 3.09Å
694S59Low58.2Low110 Ų11084.3 Ų84.377%0.76953%0.532SS*.  trans-46115.8164.147.70000108.4T692 S696T692-S694 VanDerWaalsContact C-N 3.35Å; T692-S694 PolarHBondContact O-N 3.27Å; S694-S696 PolarHBondContact O-N 3.09Å
695L71.1Confident60.7Low44 Ų4484 Ų8423%0.2353%0.529CS..  trans-55.8130.5172.7-64.8169.8000108.1E693 E697 L700 T714 L717 R718 N722E693-L695 PolarHBondContact O-N 2.92Å; L695-E697 PolarHBondContact O-N 3.06Å; L695-E697 VanDerWaalsContact O-N 3.13Å; L695-L700 HydrophobicContact CB-CD1 4.1Å; L695-T714 HydrophobicContact CD1-CG2 3.6Å; L695-L717 HydrophobicContact CD2-CB 4.06Å; L695-R718 HydrophobicContact CD2-CG 4.12Å; L695-N722 WeakPolarHBondContact CD2-OD1 3.5Å
696S79.8Confident63Low37 Ų3782 Ų8226%0.25951%0.509SS..  trans-62.9115.5176.9171.20000109.7S694 E698 H699 L700S694-S696 PolarHBondContact O-N 3.09Å; S696-E698 PolarHBondContact O-N 2.62Å; S696-E698 PolarHBondContact OG-N 3.34Å; S696-H699 PolarHBondContact O-N 3.44Å; S696-H699 PolarHBondContact OG-N 2.91Å; S696-L700 PolarHBondContact O-N 2.6Å
697E83.9Confident65.4Low136 Ų13681.2 Ų81.264%0.63650%0.501SS*.Hα-helixtrans-63.4-28.1176.1-72.7-149.7127.500112.3L695 L700 A701 R710L695-E697 PolarHBondContact O-N 3.06Å; L695-E697 VanDerWaalsContact O-N 3.13Å; E697-L700 PolarHBondContact O-N 2.99Å; E697-A701 WeakPolarHBondContact O-CB 3.44Å; E697-A701 PolarHBondContact O-N 3.44Å; E697-R710 IonicContact OE1-NH2 2.7Å; E697-R710 PolarHBondContact OE1-NH2 2.8Å; E697-R710 VanDerWaalsContact OE1-NH2 3.17Å
698E84.9Confident67.6Low145 Ų14574.4 Ų74.468%0.67846%0.456SS*.Hα-helixtrans-68-43.2174.6-173.5176.7-177.200111.5S696 A701 T702S696-E698 PolarHBondContact O-N 2.62Å; S696-E698 PolarHBondContact OG-N 3.34Å; E698-A701 PolarHBondContact O-N 3.18Å; E698-T702 WeakPolarHBondContact O-CB 3.13Å; E698-T702 PolarHBondContact O-N 2.95Å; E698-T702 PolarHBondContact O-OG1 3.02Å
699H85.8Confident70.1Confident51 Ų5173.9 Ų73.924%0.23644%0.443CS..Hα-helixtrans-65.7-40.5175.1-64175000111.4S696 T702 I703 L717 N722 L724S696-H699 PolarHBondContact O-N 3.44Å; S696-H699 PolarHBondContact OG-N 2.91Å; H699-T702 WeakPolarHBondContact O-CB 3.45Å; H699-T702 PolarHBondContact O-N 3.47Å; H699-I703 WeakPolarHBondContact O-CG1 3.44Å; H699-I703 PolarHBondContact O-N 3.07Å; H699-L717 HydrophobicContact CB-CD1 3.96Å; H699-L717 HydrophobicContact CB-CD2 3.91Å; H699-N722 PolarHBondContact ND1-O 2.78Å; H699-L724 HydrophobicContact CB-CD1 4.13Å
700L85.4Confident72.7Confident6 Ų674.1 Ų74.13%0.03143%0.428CS..Hα-helixtrans-60.8-47.6174.2-77.9169.2000111.4L695 S696 E697 T702 I703 V704 A713 L717L695-L700 HydrophobicContact CB-CD1 4.1Å; S696-L700 PolarHBondContact O-N 2.6Å; E697-L700 PolarHBondContact O-N 2.99Å; L700-T702 VanDerWaalsContact C-N 3.26Å; L700-T702 PolarHBondContact O-N 2.84Å; L700-I703 PolarHBondContact O-N 2.97Å; L700-V704 WeakPolarHBondContact O-CB 3.45Å; L700-V704 VanDerWaalsContact O-CG2 3.22Å; L700-V704 WeakPolarHBondContact O-CG2 3.32Å; L700-V704 PolarHBondContact O-N 3.2Å; L700-A713 HydrophobicContact CD2-CB 3.77Å; L700-L717 HydrophobicContact CD2-CD1 3.67Å; L700-L717 HydrophobicContact CG-CD1 3.72Å
701A85Confident75.3Confident60 Ų6072.6 Ų72.650%0.49642%0.416SS..Hα-helixtrans-60.2-38.6177.400000111.8E697 E698 S705E697-A701 WeakPolarHBondContact O-CB 3.44Å; E697-A701 PolarHBondContact O-N 3.44Å; E698-A701 PolarHBondContact O-N 3.18Å; A701-S705 VanDerWaalsContact O-CB 3.31Å; A701-S705 WeakPolarHBondContact O-CB 3.32Å; A701-S705 PolarHBondContact O-N 2.76Å; A701-S705 PolarHBondContact O-OG 2.64Å
702T84.9Confident77.7Confident44 Ų4468.7 Ų68.727%0.2739%0.389SS..Hα-helixtrans-63.2-51.1178-56.70000111.1E698 H699 L700 V704 S705 M706 L724E698-T702 WeakPolarHBondContact O-CB 3.13Å; E698-T702 PolarHBondContact O-N 2.95Å; E698-T702 PolarHBondContact O-OG1 3.02Å; H699-T702 WeakPolarHBondContact O-CB 3.45Å; H699-T702 PolarHBondContact O-N 3.47Å; L700-T702 VanDerWaalsContact C-N 3.26Å; L700-T702 PolarHBondContact O-N 2.84Å; T702-V704 PolarHBondContact O-N 3.11Å; T702-S705 PolarHBondContact O-N 3.34Å; T702-S705 PolarHBondContact O-OG 3.01Å; T702-M706 HydrophobicContact CG2-CE 4.13Å; T702-M706 WeakPolarHBondContact O-CG 3.45Å; T702-M706 PolarHBondContact O-N 3.39Å; T702-L724 HydrophobicContact CG2-CD1 4.36Å; T702-L724 HydrophobicContact CG2-CD2 4.31Å
703I84.4Confident79.9Confident0 Ų061.7 Ų61.70%035%0.347CS..Hα-helixtrans-66.2-39.5179.4-61.4168.7000111H699 L700 S705 M706 F708 A713 L717 L724 A727 V728 I731H699-I703 WeakPolarHBondContact O-CG1 3.44Å; H699-I703 PolarHBondContact O-N 3.07Å; L700-I703 PolarHBondContact O-N 2.97Å; I703-S705 VanDerWaalsContact C-N 3.3Å; I703-S705 PolarHBondContact O-N 3.32Å; I703-M706 WeakPolarHBondContact O-CB 3.3Å; I703-M706 PolarHBondContact O-N 2.99Å; I703-M706 VanDerWaalsContact O-N 3.13Å; I703-F708 HydrophobicContact CG2-CB 3.93Å; I703-F708 HydrophobicContact CG2-CD2 3.84Å; I703-F708 HydrophobicContact CG2-CG 4.08Å; I703-F708 WeakPolarHBondContact O-CD2 3.45Å; I703-A713 HydrophobicContact CB-CB 3.85Å; I703-A713 HydrophobicContact CD1-CB 4.48Å; I703-A713 HydrophobicContact CG2-CB 3.59Å; I703-L717 HydrophobicContact CD1-CD1 4.18Å; I703-L717 HydrophobicContact CD1-CD2 4.17Å; I703-L717 HydrophobicContact CD1-CG 3.91Å; I703-L724 HydrophobicContact CD1-CD1 4.09Å; I703-L724 HydrophobicContact CG1-CD1 3.89Å; I703-A727 HydrophobicContact CD1-CB 3.93Å; I703-V728 HydrophobicContact CG1-CG2 4.32Å; I703-I731 HydrophobicContact CG2-CD1 3.78Å
704V85.9Confident81.7Confident59 Ų5957.5 Ų57.536%0.35833%0.328SS..Hα-helixtrans-63.7-37.5175.5171.80000111.5L700 T702 M706 G707 F708 R710 A713L700-V704 WeakPolarHBondContact O-CB 3.45Å; L700-V704 VanDerWaalsContact O-CG2 3.22Å; L700-V704 WeakPolarHBondContact O-CG2 3.32Å; L700-V704 PolarHBondContact O-N 3.2Å; T702-V704 PolarHBondContact O-N 3.11Å; V704-M706 PolarHBondContact O-N 3.27Å; V704-G707 WeakPolarHBondContact O-CA 3.49Å; V704-G707 PolarHBondContact O-N 3.14Å; V704-F708 WeakPolarHBondContact CA-O 3.4Å; V704-R710 HydrophobicContact CG2-CB 4.37Å; V704-A713 HydrophobicContact CG2-CB 4.22Å
705S82.3Confident83Confident97 Ų9755.5 Ų55.568%0.67831%0.306SS*.Hα-helixtrans-66.2-24.4175.776.70000113.6A701 T702 I703 G707A701-S705 VanDerWaalsContact O-CB 3.31Å; A701-S705 WeakPolarHBondContact O-CB 3.32Å; A701-S705 PolarHBondContact O-N 2.76Å; A701-S705 PolarHBondContact O-OG 2.64Å; T702-S705 PolarHBondContact O-N 3.34Å; T702-S705 PolarHBondContact O-OG 3.01Å; I703-S705 VanDerWaalsContact C-N 3.3Å; I703-S705 PolarHBondContact O-N 3.32Å; S705-G707 PolarHBondContact O-N 3.45Å
706M79Confident83.6Confident62 Ų6253.4 Ų53.431%0.30530%0.295SS..THydrogen-bonded Turntrans-73.1-6.6170.7-63.7173.2174.400112.8T702 I703 V704 F708 V728T702-M706 HydrophobicContact CG2-CE 4.13Å; T702-M706 WeakPolarHBondContact O-CG 3.45Å; T702-M706 PolarHBondContact O-N 3.39Å; I703-M706 WeakPolarHBondContact O-CB 3.3Å; I703-M706 PolarHBondContact O-N 2.99Å; I703-M706 VanDerWaalsContact O-N 3.13Å; V704-M706 PolarHBondContact O-N 3.27Å; M706-F708 HydrophobicContact CB-CD2 3.97Å; M706-F708 HydrophobicContact CB-CE2 4.01Å; M706-V728 HydrophobicContact CE-CG2 4.18Å; M706-V728 HydrophobicContact SD-CG1 4.38Å; M706-V728 HydrophobicContact SD-CG2 4.01Å
707G78.1Confident83.8Confident42 Ų4251.7 Ų51.743%0.43328%0.283SS..THydrogen-bonded Turntrans106.113.8174.700000115.3V704 S705V704-G707 WeakPolarHBondContact O-CA 3.49Å; V704-G707 PolarHBondContact O-N 3.14Å; S705-G707 PolarHBondContact O-N 3.45Å
708F82.8Confident83.8Confident8 Ų853.9 Ų53.94%0.03529%0.285CS..  trans-94154.9178.6-63.8-87.1000112.4I703 V704 M706 Q712 I731 F732 L735I703-F708 HydrophobicContact CG2-CB 3.93Å; I703-F708 HydrophobicContact CG2-CD2 3.84Å; I703-F708 HydrophobicContact CG2-CG 4.08Å; I703-F708 WeakPolarHBondContact O-CD2 3.45Å; V704-F708 WeakPolarHBondContact CA-O 3.4Å; M706-F708 HydrophobicContact CB-CD2 3.97Å; M706-F708 HydrophobicContact CB-CE2 4.01Å; F708-Q712 HydrophobicContact CB-CB 4.48Å; F708-I731 HydrophobicContact CB-CD1 3.89Å; F708-I731 HydrophobicContact CD1-CD1 3.33Å; F708-I731 HydrophobicContact CD1-CG1 3.67Å; F708-I731 HydrophobicContact CD1-CG2 4.31Å; F708-I731 HydrophobicContact CD2-CD1 4.17Å; F708-I731 HydrophobicContact CD2-CG2 4.4Å; F708-I731 HydrophobicContact CE1-CB 4.27Å; F708-I731 HydrophobicContact CE1-CD1 3.79Å; F708-I731 HydrophobicContact CE1-CG1 3.63Å; F708-I731 HydrophobicContact CE1-CG2 3.71Å; F708-I731 HydrophobicContact CE2-CG2 3.86Å; F708-I731 HydrophobicContact CG-CD1 3.53Å; F708-I731 HydrophobicContact CG-CG1 4.33Å; F708-I731 HydrophobicContact CZ-CD1 4.41Å; F708-I731 HydrophobicContact CZ-CG1 4.31Å; F708-I731 HydrophobicContact CZ-CG2 3.48Å; F708-I731 VanDerWaalsContact CZ-CG2 3.48Å; F708-F732 HydrophobicContact CE2-CD2 4.49Å; F708-F732 AromaticContact CE2-CE2 3.7Å; F708-F732 HydrophobicContact CE2-CE2 3.7Å; F708-F732 AromaticContact CE2-CZ 3.69Å; F708-F732 HydrophobicContact CE2-CZ 3.69Å; F708-F732 HydrophobicContact CZ-CD1 4.34Å; F708-F732 HydrophobicContact CZ-CD2 4.08Å; F708-F732 AromaticContact CZ-CE1 3.93Å; F708-F732 HydrophobicContact CZ-CE1 3.93Å; F708-F732 AromaticContact CZ-CE2 3.62Å; F708-F732 HydrophobicContact CZ-CE2 3.62Å; F708-F732 HydrophobicContact CZ-CG 4.4Å; F708-F732 AromaticContact CZ-CZ 3.51Å; F708-F732 HydrophobicContact CZ-CZ 3.51Å; F708-L735 HydrophobicContact CD1-CD2 4.28Å; F708-L735 HydrophobicContact CE1-CD1 4.32Å; F708-L735 HydrophobicContact CE1-CD2 3.5Å; F708-L735 HydrophobicContact CE1-CG 4Å; F708-L735 HydrophobicContact CZ-CD1 4.46Å; F708-L735 HydrophobicContact CZ-CD2 4.39Å
709S85.6Confident83.7Confident43 Ų4349.4 Ų49.430%0.30127%0.273SS..  trans-70.3156.1173.887.90000110.9D711 Q712 A713S709-D711 PolarHBondContact O-N 3.34Å; S709-D711 PolarHBondContact OG-N 2.91Å; S709-Q712 PolarHBondContact O-N 2.6Å; S709-Q712 VanDerWaalsContact OG-CG 3.29Å; S709-Q712 WeakPolarHBondContact OG-CG 3.36Å; S709-Q712 PolarHBondContact OG-N 2.79Å; S709-Q712 VanDerWaalsContact OG-N 3.17Å; S709-A713 WeakPolarHBondContact O-CB 3.45Å; S709-A713 PolarHBondContact O-N 3.07Å
710R83.5Confident83.7Confident148 Ų14847.1 Ų47.156%0.55826%0.262SS*.Hα-helixtrans-60.9-30176.6-170.2175-178.6110.9-4111.8E697 V704 T714E697-R710 IonicContact OE1-NH2 2.7Å; E697-R710 PolarHBondContact OE1-NH2 2.8Å; E697-R710 VanDerWaalsContact OE1-NH2 3.17Å; V704-R710 HydrophobicContact CG2-CB 4.37Å; R710-T714 WeakPolarHBondContact O-CB 2.98Å; R710-T714 PolarHBondContact O-N 3.08Å; R710-T714 PolarHBondContact O-OG1 3.28Å
711D82.6Confident83.6Confident81 Ų8151 Ų5143%0.43329%0.291SS..Hα-helixtrans-71.7-46.4177.7-171.366000111.7S709 A713 T714 K715S709-D711 PolarHBondContact O-N 3.34Å; S709-D711 PolarHBondContact OG-N 2.91Å; D711-A713 PolarHBondContact O-N 3.46Å; D711-T714 WeakPolarHBondContact O-CB 3.45Å; D711-T714 PolarHBondContact O-N 2.93Å; D711-T714 VanDerWaalsContact O-N 3.14Å; D711-K715 PolarHBondContact O-N 3.48Å; D711-K715 WeakPolarHBondContact OD2-CE 3.41Å; D711-K715 IonicContact OD2-NZ 3.25Å; D711-K715 PolarHBondContact OD2-NZ 2.66Å
712Q83.7Confident83.4Confident12 Ų1249.6 Ų49.66%0.05627%0.274CS..Hα-helixtrans-59.9-46175-66.6170.8-24.200111.4F708 S709 T714 K715 A716 I731 E742F708-Q712 HydrophobicContact CB-CB 4.48Å; S709-Q712 PolarHBondContact O-N 2.6Å; S709-Q712 VanDerWaalsContact OG-CG 3.29Å; S709-Q712 WeakPolarHBondContact OG-CG 3.36Å; S709-Q712 PolarHBondContact OG-N 2.79Å; S709-Q712 VanDerWaalsContact OG-N 3.17Å; Q712-T714 VanDerWaalsContact C-N 3.27Å; Q712-T714 PolarHBondContact O-N 3.17Å; Q712-K715 PolarHBondContact O-N 3.27Å; Q712-A716 PolarHBondContact O-N 3.27Å; Q712-I731 HydrophobicContact CB-CD1 3.93Å; Q712-E742 PolarHBondContact NE2-OE1 3.05Å
713A84.9Confident83.4Confident0 Ų050.6 Ų50.60%028%0.28CS..Hα-helixtrans-60.3-37.3175.600000112.5L700 I703 V704 S709 D711 L717L700-A713 HydrophobicContact CD2-CB 3.77Å; I703-A713 HydrophobicContact CB-CB 3.85Å; I703-A713 HydrophobicContact CD1-CB 4.48Å; I703-A713 HydrophobicContact CG2-CB 3.59Å; V704-A713 HydrophobicContact CG2-CB 4.22Å; S709-A713 WeakPolarHBondContact O-CB 3.45Å; S709-A713 PolarHBondContact O-N 3.07Å; D711-A713 PolarHBondContact O-N 3.46Å; A713-L717 WeakPolarHBondContact O-CG 3.45Å; A713-L717 PolarHBondContact O-N 2.64Å; A713-L717 VanDerWaalsContact O-N 3.08Å
714T83.8Confident83.3Confident22 Ų2252.9 Ų52.914%0.13529%0.292CS..Hα-helixtrans-68.6-43.3177.2-63.50000111.7L695 R710 D711 Q712 R718L695-T714 HydrophobicContact CD1-CG2 3.6Å; R710-T714 WeakPolarHBondContact O-CB 2.98Å; R710-T714 PolarHBondContact O-N 3.08Å; R710-T714 PolarHBondContact O-OG1 3.28Å; D711-T714 WeakPolarHBondContact O-CB 3.45Å; D711-T714 PolarHBondContact O-N 2.93Å; D711-T714 VanDerWaalsContact O-N 3.14Å; Q712-T714 VanDerWaalsContact C-N 3.27Å; Q712-T714 PolarHBondContact O-N 3.17Å; T714-R718 WeakPolarHBondContact O-CB 3.44Å; T714-R718 VanDerWaalsContact O-CG 3.3Å; T714-R718 WeakPolarHBondContact O-CG 3.39Å; T714-R718 PolarHBondContact O-N 2.85Å
715K84.6Confident83.1Confident69 Ų6957.5 Ų57.530%0.331%0.31SS..Hα-helixtrans-60.8-45.8175.4-76.6169.8174.71580111.2D711 Q712 R718 A719 W730 L738D711-K715 PolarHBondContact O-N 3.48Å; D711-K715 WeakPolarHBondContact OD2-CE 3.41Å; D711-K715 IonicContact OD2-NZ 3.25Å; D711-K715 PolarHBondContact OD2-NZ 2.66Å; Q712-K715 PolarHBondContact O-N 3.27Å; K715-R718 PolarHBondContact O-N 3.38Å; K715-A719 WeakPolarHBondContact O-CB 3.39Å; K715-A719 PolarHBondContact O-N 3.18Å; K715-W730 HydrophobicContact CB-CZ3 4.48Å; K715-L738 HydrophobicContact CD-CD2 4.1Å
716A84.1Confident83.2Confident0 Ų060 Ų600%031%0.305CS..Hα-helixtrans-60.7-50.1178.400000112.5Q712 R718 A719 T720 A727 W730 I731Q712-A716 PolarHBondContact O-N 3.27Å; A716-R718 VanDerWaalsContact C-N 3.3Å; A716-R718 PolarHBondContact O-N 2.62Å; A716-A719 PolarHBondContact O-N 3.29Å; A716-T720 WeakPolarHBondContact O-CG2 3.16Å; A716-T720 PolarHBondContact O-N 3.47Å; A716-T720 VanDerWaalsContact O-N 3.17Å; A716-T720 PolarHBondContact O-OG1 3.39Å; A716-T720 VanDerWaalsContact O-OG1 3.08Å; A716-A727 HydrophobicContact CB-CB 4.13Å; A716-W730 HydrophobicContact CB-CE3 3.78Å; A716-W730 HydrophobicContact CB-CZ3 4.31Å; A716-I731 HydrophobicContact CB-CB 3.99Å; A716-I731 HydrophobicContact CB-CD1 4.09Å; A716-I731 HydrophobicContact CB-CG1 4.23Å
717L84.2Confident83.5Confident0 Ų057.1 Ų57.10%029%0.29CS..Hα-helixtrans-64.6-33179.3-73.3166.5000113L695 H699 L700 I703 A713 S721 N722 A727L695-L717 HydrophobicContact CD2-CB 4.06Å; H699-L717 HydrophobicContact CB-CD1 3.96Å; H699-L717 HydrophobicContact CB-CD2 3.91Å; L700-L717 HydrophobicContact CD2-CD1 3.67Å; L700-L717 HydrophobicContact CG-CD1 3.72Å; I703-L717 HydrophobicContact CD1-CD1 4.18Å; I703-L717 HydrophobicContact CD1-CD2 4.17Å; I703-L717 HydrophobicContact CD1-CG 3.91Å; A713-L717 WeakPolarHBondContact O-CG 3.45Å; A713-L717 PolarHBondContact O-N 2.64Å; A713-L717 VanDerWaalsContact O-N 3.08Å; L717-S721 PolarHBondContact O-N 3.11Å; L717-N722 PolarHBondContact O-N 3.3Å; L717-A727 HydrophobicContact CD2-CB 3.71Å; L717-A727 HydrophobicContact CG-CB 4.11Å
718R84.8Confident83.7Confident183 Ų18355.6 Ų55.669%0.69127%0.273SS*.Hα-helixtrans-68.5-41.3173.5-75.6-179.6-178.1178.73.2112.1L695 T714 K715 A716 T720L695-R718 HydrophobicContact CD2-CG 4.12Å; T714-R718 WeakPolarHBondContact O-CB 3.44Å; T714-R718 VanDerWaalsContact O-CG 3.3Å; T714-R718 WeakPolarHBondContact O-CG 3.39Å; T714-R718 PolarHBondContact O-N 2.85Å; K715-R718 PolarHBondContact O-N 3.38Å; A716-R718 VanDerWaalsContact C-N 3.3Å; A716-R718 PolarHBondContact O-N 2.62Å; R718-T720 PolarHBondContact O-N 3.38Å
719A82.5Confident83.7Confident50 Ų5059.3 Ų59.341%0.41329%0.293SS..Hα-helixtrans-66.6-22.1179.100000112.8K715 A716 W730K715-A719 WeakPolarHBondContact O-CB 3.39Å; K715-A719 PolarHBondContact O-N 3.18Å; A716-A719 PolarHBondContact O-N 3.29Å; A719-W730 HydrophobicContact CB-CD2 3.95Å; A719-W730 HydrophobicContact CB-CG 4.25Å; A719-W730 HydrophobicContact CB-CZ2 4.08Å
720T84.8Confident83.7Confident3 Ų360.4 Ų60.42%0.01829%0.29CS..THydrogen-bonded Turntrans-117.418.6-173.5670000114.7A716 R718 N722 V723 R726 A727 W730A716-T720 WeakPolarHBondContact O-CG2 3.16Å; A716-T720 PolarHBondContact O-N 3.47Å; A716-T720 VanDerWaalsContact O-N 3.17Å; A716-T720 PolarHBondContact O-OG1 3.39Å; A716-T720 VanDerWaalsContact O-OG1 3.08Å; R718-T720 PolarHBondContact O-N 3.38Å; T720-N722 VanDerWaalsContact C-N 3.32Å; T720-N722 PolarHBondContact O-N 2.89Å; T720-V723 PolarHBondContact O-N 2.83Å; T720-V723 PolarHBondContact OG1-O 3.08Å; T720-R726 HydrophobicContact CG2-CB 3.84Å; T720-R726 WeakPolarHBondContact CG2-O 3.37Å; T720-A727 WeakPolarHBondContact OG1-CA 3.11Å; T720-A727 WeakPolarHBondContact OG1-CB 3.34Å; T720-A727 PolarHBondContact OG1-N 3.19Å; T720-W730 HydrophobicContact CG2-CB 3.77Å; T720-W730 HydrophobicContact CG2-CG 4.15Å
721S83.7Confident83.8Confident89 Ų8953.4 Ų53.462%0.62226%0.264SS*.THydrogen-bonded Turntrans53.247.3178.3-52.50000112.7L717 V723L717-S721 PolarHBondContact O-N 3.11Å; S721-V723 PolarHBondContact O-N 3.46Å; S721-V723 VanDerWaalsContact O-N 3.13Å
722N80.9Confident83.6Confident29 Ų2951.6 Ų51.616%0.15525%0.252CS..THydrogen-bonded Turntrans63.59.8178.9-70.8-51000116.9E693 L695 H699 L717 T720 L724E693-N722 WeakPolarHBondContact CB-ND2 3.33Å; E693-N722 PolarHBondContact OE2-ND2 3.09Å; L695-N722 WeakPolarHBondContact CD2-OD1 3.5Å; H699-N722 PolarHBondContact ND1-O 2.78Å; L717-N722 PolarHBondContact O-N 3.3Å; T720-N722 VanDerWaalsContact C-N 3.32Å; T720-N722 PolarHBondContact O-N 2.89Å; N722-L724 PolarHBondContact O-N 2.82Å
723V84.4Confident83.5Confident65 Ų6555 Ų5539%0.39428%0.277SS..  trans-80113.1175.3-1780000109.8T720 S721 E725 R726 A727T720-V723 PolarHBondContact O-N 2.83Å; T720-V723 PolarHBondContact OG1-O 3.08Å; S721-V723 PolarHBondContact O-N 3.46Å; S721-V723 VanDerWaalsContact O-N 3.13Å; V723-E725 PolarHBondContact O-N 3.12Å; V723-R726 HydrophobicContact CB-CB 4.23Å; V723-R726 HydrophobicContact CB-CG 4.4Å; V723-R726 HydrophobicContact CG1-CB 4.17Å; V723-R726 HydrophobicContact CG1-CG 4Å; V723-R726 PolarHBondContact O-N 2.91Å; V723-A727 WeakPolarHBondContact O-CB 3.2Å; V723-A727 PolarHBondContact O-N 3.22Å
724L82.2Confident83.2Confident48 Ų4857.8 Ų57.825%0.25129%0.29SS..Hα-helixtrans-57.2-50.1-175.4176.662.8000112.8H699 T702 I703 N722 R726 A727 V728H699-L724 HydrophobicContact CB-CD1 4.13Å; T702-L724 HydrophobicContact CG2-CD1 4.36Å; T702-L724 HydrophobicContact CG2-CD2 4.31Å; I703-L724 HydrophobicContact CD1-CD1 4.09Å; I703-L724 HydrophobicContact CG1-CD1 3.89Å; N722-L724 PolarHBondContact O-N 2.82Å; L724-R726 PolarHBondContact O-N 2.89Å; L724-A727 WeakPolarHBondContact O-CB 3.4Å; L724-A727 PolarHBondContact O-N 3.4Å; L724-A727 VanDerWaalsContact O-N 3.09Å; L724-V728 HydrophobicContact CD1-CG2 4.21Å; L724-V728 WeakPolarHBondContact O-CG2 3.24Å; L724-V728 PolarHBondContact O-N 2.8Å
725E81.6Confident82.7Confident157 Ų15757.3 Ų57.373%0.73429%0.287SS*.Hα-helixtrans-58.8-48.4-177-65.1178.5173.500111.5V723 A727 V728 D729V723-E725 PolarHBondContact O-N 3.12Å; E725-A727 VanDerWaalsContact C-N 3.32Å; E725-A727 PolarHBondContact O-N 2.89Å; E725-V728 PolarHBondContact O-N 2.87Å; E725-D729 PolarHBondContact O-N 2.92Å
726R85.3Confident81.9Confident150 Ų15057 Ų5757%0.56629%0.288SS*.Hα-helixtrans-63.7-37.9175.4-68.1-176.165.5-164.8-1.4111.9T720 V723 L724 V728 D729 W730T720-R726 HydrophobicContact CG2-CB 3.84Å; T720-R726 WeakPolarHBondContact CG2-O 3.37Å; V723-R726 HydrophobicContact CB-CB 4.23Å; V723-R726 HydrophobicContact CB-CG 4.4Å; V723-R726 HydrophobicContact CG1-CB 4.17Å; V723-R726 HydrophobicContact CG1-CG 4Å; V723-R726 PolarHBondContact O-N 2.91Å; L724-R726 PolarHBondContact O-N 2.89Å; R726-V728 VanDerWaalsContact C-N 3.31Å; R726-V728 PolarHBondContact O-N 2.9Å; R726-D729 PolarHBondContact O-N 3.28Å; R726-W730 VanDerWaalsContact O-CB 3.26Å; R726-W730 WeakPolarHBondContact O-CB 3.45Å; R726-W730 PolarHBondContact O-N 2.84Å
727A84.8Confident81.2Confident0 Ų061.5 Ų61.50%031%0.313CS..Hα-helixtrans-63.5-39.4178.300000111.4I703 A716 L717 T720 V723 L724 E725 W730 I731I703-A727 HydrophobicContact CD1-CB 3.93Å; A716-A727 HydrophobicContact CB-CB 4.13Å; L717-A727 HydrophobicContact CD2-CB 3.71Å; L717-A727 HydrophobicContact CG-CB 4.11Å; T720-A727 WeakPolarHBondContact OG1-CA 3.11Å; T720-A727 WeakPolarHBondContact OG1-CB 3.34Å; T720-A727 PolarHBondContact OG1-N 3.19Å; V723-A727 WeakPolarHBondContact O-CB 3.2Å; V723-A727 PolarHBondContact O-N 3.22Å; L724-A727 WeakPolarHBondContact O-CB 3.4Å; L724-A727 PolarHBondContact O-N 3.4Å; L724-A727 VanDerWaalsContact O-N 3.09Å; E725-A727 VanDerWaalsContact C-N 3.32Å; E725-A727 PolarHBondContact O-N 2.89Å; A727-W730 PolarHBondContact O-N 3.16Å; A727-I731 WeakPolarHBondContact O-CB 3.44Å; A727-I731 PolarHBondContact O-N 2.88Å
728V83.8Confident80.5Confident10 Ų1061.9 Ų61.96%0.06132%0.315CS..Hα-helixtrans-64.3-46.5173.4174.60000110.4I703 M706 L724 E725 R726 W730 I731 F732I703-V728 HydrophobicContact CG1-CG2 4.32Å; M706-V728 HydrophobicContact CE-CG2 4.18Å; M706-V728 HydrophobicContact SD-CG1 4.38Å; M706-V728 HydrophobicContact SD-CG2 4.01Å; L724-V728 HydrophobicContact CD1-CG2 4.21Å; L724-V728 WeakPolarHBondContact O-CG2 3.24Å; L724-V728 PolarHBondContact O-N 2.8Å; E725-V728 PolarHBondContact O-N 2.87Å; R726-V728 VanDerWaalsContact C-N 3.31Å; R726-V728 PolarHBondContact O-N 2.9Å; V728-W730 VanDerWaalsContact C-N 3.32Å; V728-W730 PolarHBondContact O-N 3.4Å; V728-I731 WeakPolarHBondContact O-CG2 3.29Å; V728-I731 PolarHBondContact O-N 3.15Å; V728-F732 HydrophobicContact CG1-CD2 3.94Å; V728-F732 HydrophobicContact CG1-CE2 4.01Å; V728-F732 VanDerWaalsContact O-CD2 3.29Å; V728-F732 WeakPolarHBondContact O-CD2 3.48Å; V728-F732 PolarHBondContact O-N 3.41Å
729D82.4Confident79.8Confident86 Ų8655.2 Ų55.246%0.4629%0.293SS..Hα-helixtrans-65.9-36.6177.8-69.1-23.3000112.7R447 E725 R726 S733R447-D729 IonicContact CZ-OD1 2.78Å; R447-D729 IonicContact NH2-OD1 3.45Å; R447-D729 PolarHBondContact NH2-OD1 2.89Å; E725-D729 PolarHBondContact O-N 2.92Å; R726-D729 PolarHBondContact O-N 3.28Å; D729-S733 WeakPolarHBondContact O-CB 3.3Å; D729-S733 PolarHBondContact O-N 3.45Å; D729-S733 PolarHBondContact O-OG 3.37Å
730W85.9Confident78.7Confident66 Ų6654.6 Ų54.625%0.2529%0.285CS..Hα-helixtrans-64.5-46.7177.1-169.689.8000111.2K715 A716 A719 T720 R726 A727 V728 F732 S733 H734 L738K715-W730 HydrophobicContact CB-CZ3 4.48Å; A716-W730 HydrophobicContact CB-CE3 3.78Å; A716-W730 HydrophobicContact CB-CZ3 4.31Å; A719-W730 HydrophobicContact CB-CD2 3.95Å; A719-W730 HydrophobicContact CB-CG 4.25Å; A719-W730 HydrophobicContact CB-CZ2 4.08Å; T720-W730 HydrophobicContact CG2-CB 3.77Å; T720-W730 HydrophobicContact CG2-CG 4.15Å; R726-W730 VanDerWaalsContact O-CB 3.26Å; R726-W730 WeakPolarHBondContact O-CB 3.45Å; R726-W730 PolarHBondContact O-N 2.84Å; A727-W730 PolarHBondContact O-N 3.16Å; V728-W730 VanDerWaalsContact C-N 3.32Å; V728-W730 PolarHBondContact O-N 3.4Å; W730-F732 VanDerWaalsContact C-N 3.34Å; W730-F732 PolarHBondContact O-N 2.93Å; W730-S733 WeakPolarHBondContact CA-OG 3.45Å; W730-S733 PolarHBondContact O-N 2.79Å; W730-S733 PolarHBondContact O-OG 3.07Å; W730-H734 AromaticContact CD1-CE1 3.54Å; W730-H734 AromaticContact CD1-ND1 3.77Å; W730-H734 AromaticContact CD2-ND1 3.81Å; W730-H734 AromaticContact CE2-CD2 3.93Å; W730-H734 AromaticContact CE2-CE1 3.79Å; W730-H734 AromaticContact CE2-CG 3.78Å; W730-H734 AromaticContact CE2-ND1 3.68Å; W730-H734 AromaticContact CE2-NE2 3.9Å; W730-H734 HydrophobicContact CE3-CB 4.42Å; W730-H734 AromaticContact CG-ND1 3.89Å; W730-H734 HydrophobicContact CH2-CB 4.19Å; W730-H734 HydrophobicContact CZ2-CB 4.28Å; W730-H734 AromaticContact CZ2-CD2 3.81Å; W730-H734 AromaticContact CZ2-CG 3.86Å; W730-H734 HydrophobicContact CZ3-CB 4.26Å; W730-H734 AromaticContact NE1-CE1 3.3Å; W730-H734 PolarHBondContact NE1-CE1 3.26Å; W730-H734 VanDerWaalsContact NE1-CE1 3.3Å; W730-H734 AromaticContact NE1-ND1 3.63Å; W730-H734 AromaticContact NE1-NE2 3.53Å; W730-H734 WeakPolarHBondContact O-CB 3.43Å; W730-H734 PolarHBondContact O-N 2.88Å; W730-H734 PolarHBondContact O-ND1 3.38Å; W730-L738 HydrophobicContact CH2-CD2 4.33Å; W730-L738 HydrophobicContact CZ3-CD1 4.02Å; W730-L738 HydrophobicContact CZ3-CD2 4.35Å
731I84.4Confident77.4Confident1 Ų159.2 Ų59.21%0.00531%0.308CS..Hα-helixtrans-64.6-41.7-177-151.3166.7000110.7I703 F708 Q712 A716 A727 V728 H734 L735 L738I703-I731 HydrophobicContact CG2-CD1 3.78Å; F708-I731 HydrophobicContact CB-CD1 3.89Å; F708-I731 HydrophobicContact CD1-CD1 3.33Å; F708-I731 HydrophobicContact CD1-CG1 3.67Å; F708-I731 HydrophobicContact CD1-CG2 4.31Å; F708-I731 HydrophobicContact CD2-CD1 4.17Å; F708-I731 HydrophobicContact CD2-CG2 4.4Å; F708-I731 HydrophobicContact CE1-CB 4.27Å; F708-I731 HydrophobicContact CE1-CD1 3.79Å; F708-I731 HydrophobicContact CE1-CG1 3.63Å; F708-I731 HydrophobicContact CE1-CG2 3.71Å; F708-I731 HydrophobicContact CE2-CG2 3.86Å; F708-I731 HydrophobicContact CG-CD1 3.53Å; F708-I731 HydrophobicContact CG-CG1 4.33Å; F708-I731 HydrophobicContact CZ-CD1 4.41Å; F708-I731 HydrophobicContact CZ-CG1 4.31Å; F708-I731 HydrophobicContact CZ-CG2 3.48Å; F708-I731 VanDerWaalsContact CZ-CG2 3.48Å; Q712-I731 HydrophobicContact CB-CD1 3.93Å; A716-I731 HydrophobicContact CB-CB 3.99Å; A716-I731 HydrophobicContact CB-CD1 4.09Å; A716-I731 HydrophobicContact CB-CG1 4.23Å; A727-I731 WeakPolarHBondContact O-CB 3.44Å; A727-I731 PolarHBondContact O-N 2.88Å; V728-I731 WeakPolarHBondContact O-CG2 3.29Å; V728-I731 PolarHBondContact O-N 3.15Å; I731-H734 CarbonylContact O-C 3.45Å; I731-H734 PolarHBondContact O-N 2.54Å; I731-L735 WeakPolarHBondContact O-CA 3.43Å; I731-L735 WeakPolarHBondContact O-CG 3.43Å; I731-L735 PolarHBondContact O-N 3.01Å; I731-L738 HydrophobicContact CG1-CD1 3.96Å
732F79.4Confident76Confident43 Ų4358.7 Ų58.719%0.18930%0.296CS..Hα-helixtrans-69.7-33.4178.2-82.5-80.7000113.2R447 F708 V728 W730 L735R447-F732 HydrophobicContact CB-CE2 4.39Å; R447-F732 HydrophobicContact CB-CZ 4.24Å; R447-F732 HydrophobicContact CG-CD2 4.26Å; R447-F732 HydrophobicContact CG-CE2 3.81Å; R447-F732 HydrophobicContact CG-CZ 4.02Å; F708-F732 HydrophobicContact CE2-CD2 4.49Å; F708-F732 AromaticContact CE2-CE2 3.7Å; F708-F732 HydrophobicContact CE2-CE2 3.7Å; F708-F732 AromaticContact CE2-CZ 3.69Å; F708-F732 HydrophobicContact CE2-CZ 3.69Å; F708-F732 HydrophobicContact CZ-CD1 4.34Å; F708-F732 HydrophobicContact CZ-CD2 4.08Å; F708-F732 AromaticContact CZ-CE1 3.93Å; F708-F732 HydrophobicContact CZ-CE1 3.93Å; F708-F732 AromaticContact CZ-CE2 3.62Å; F708-F732 HydrophobicContact CZ-CE2 3.62Å; F708-F732 HydrophobicContact CZ-CG 4.4Å; F708-F732 AromaticContact CZ-CZ 3.51Å; F708-F732 HydrophobicContact CZ-CZ 3.51Å; V728-F732 HydrophobicContact CG1-CD2 3.94Å; V728-F732 HydrophobicContact CG1-CE2 4.01Å; V728-F732 VanDerWaalsContact O-CD2 3.29Å; V728-F732 WeakPolarHBondContact O-CD2 3.48Å; V728-F732 PolarHBondContact O-N 3.41Å; W730-F732 VanDerWaalsContact C-N 3.34Å; W730-F732 PolarHBondContact O-N 2.93Å; F732-L735 HydrophobicContact CB-CD1 4.49Å; F732-L735 HydrophobicContact CD1-CD1 3.54Å; F732-L735 HydrophobicContact CE1-CD1 4.04Å; F732-L735 HydrophobicContact CG-CD1 4.26Å
733S80.9Confident74.6Confident83 Ų8361.5 Ų61.558%0.5831%0.314SS*.Hα-helixtrans-76.5-20.3176.250.90000114.1D729 W730D729-S733 WeakPolarHBondContact O-CB 3.3Å; D729-S733 PolarHBondContact O-N 3.45Å; D729-S733 PolarHBondContact O-OG 3.37Å; W730-S733 WeakPolarHBondContact CA-OG 3.45Å; W730-S733 PolarHBondContact O-N 2.79Å; W730-S733 PolarHBondContact O-OG 3.07Å
734H79.2Confident72.8Confident59 Ų5961.8 Ų61.827%0.27332%0.318SS..THydrogen-bonded Turntrans-113.514.4-179.3-60.970.9000112.4W730 I731 D736 D737 L738W730-H734 AromaticContact CD1-CE1 3.54Å; W730-H734 AromaticContact CD1-ND1 3.77Å; W730-H734 AromaticContact CD2-ND1 3.81Å; W730-H734 AromaticContact CE2-CD2 3.93Å; W730-H734 AromaticContact CE2-CE1 3.79Å; W730-H734 AromaticContact CE2-CG 3.78Å; W730-H734 AromaticContact CE2-ND1 3.68Å; W730-H734 AromaticContact CE2-NE2 3.9Å; W730-H734 HydrophobicContact CE3-CB 4.42Å; W730-H734 AromaticContact CG-ND1 3.89Å; W730-H734 HydrophobicContact CH2-CB 4.19Å; W730-H734 HydrophobicContact CZ2-CB 4.28Å; W730-H734 AromaticContact CZ2-CD2 3.81Å; W730-H734 AromaticContact CZ2-CG 3.86Å; W730-H734 HydrophobicContact CZ3-CB 4.26Å; W730-H734 AromaticContact NE1-CE1 3.3Å; W730-H734 PolarHBondContact NE1-CE1 3.26Å; W730-H734 VanDerWaalsContact NE1-CE1 3.3Å; W730-H734 AromaticContact NE1-ND1 3.63Å; W730-H734 AromaticContact NE1-NE2 3.53Å; W730-H734 WeakPolarHBondContact O-CB 3.43Å; W730-H734 PolarHBondContact O-N 2.88Å; W730-H734 PolarHBondContact O-ND1 3.38Å; I731-H734 CarbonylContact O-C 3.45Å; I731-H734 PolarHBondContact O-N 2.54Å; H734-D736 PolarHBondContact O-N 3.46Å; H734-D737 PolarHBondContact O-N 3.37Å; H734-L738 WeakPolarHBondContact O-CB 3.31Å; H734-L738 WeakPolarHBondContact O-CG 3.09Å; H734-L738 PolarHBondContact O-N 2.9Å
735L72.4Confident70.9Confident13 Ų1365.5 Ų65.57%0.06834%0.335CS..Hα-helixtrans-56-49.3-176.8-104.8172.9000112R450 F708 I731 F732 D737 L738 D739R450-L735 VanDerWaalsContact NH2-CD2 3.3Å; F708-L735 HydrophobicContact CD1-CD2 4.28Å; F708-L735 HydrophobicContact CE1-CD1 4.32Å; F708-L735 HydrophobicContact CE1-CD2 3.5Å; F708-L735 HydrophobicContact CE1-CG 4Å; F708-L735 HydrophobicContact CZ-CD1 4.46Å; F708-L735 HydrophobicContact CZ-CD2 4.39Å; I731-L735 WeakPolarHBondContact O-CA 3.43Å; I731-L735 WeakPolarHBondContact O-CG 3.43Å; I731-L735 PolarHBondContact O-N 3.01Å; F732-L735 HydrophobicContact CB-CD1 4.49Å; F732-L735 HydrophobicContact CD1-CD1 3.54Å; F732-L735 HydrophobicContact CE1-CD1 4.04Å; F732-L735 HydrophobicContact CG-CD1 4.26Å; L735-D737 VanDerWaalsContact C-N 3.33Å; L735-D737 PolarHBondContact O-N 3.42Å; L735-L738 PolarHBondContact O-N 3.44Å; L735-D739 WeakPolarHBondContact O-CB 3.46Å; L735-D739 PolarHBondContact O-N 3.28Å
736D67.7Low68.9Low61 Ų6161.5 Ų61.533%0.32633%0.328SS..Hα-helixtrans-66.2-37.7-177.8-60.2-34.3000111.1H734 S740 P763H734-D736 PolarHBondContact O-N 3.46Å; D736-S740 VanDerWaalsContact O-CB 3.31Å; D736-S740 WeakPolarHBondContact O-CB 3.18Å; D736-S740 PolarHBondContact O-N 3.16Å; D736-S740 PolarHBondContact O-OG 3.37Å; D736-P763 WeakPolarHBondContact OD2-CD 3.47Å
737D68.9Low66.6Low95 Ų9556.6 Ų56.651%0.50833%0.325SS..Hα-helixtrans-66.2-45.1175.6-68-23.1000111.2H734 L735 S740 M741H734-D737 PolarHBondContact O-N 3.37Å; L735-D737 VanDerWaalsContact C-N 3.33Å; L735-D737 PolarHBondContact O-N 3.42Å; D737-S740 PolarHBondContact O-N 2.94Å; D737-S740 PolarHBondContact O-OG 2.84Å; D737-M741 VanDerWaalsContact O-CG 3.29Å; D737-M741 WeakPolarHBondContact O-CG 3.41Å; D737-M741 PolarHBondContact O-N 2.84Å
738L70.8Confident64.3Low9 Ų966.6 Ų66.65%0.04736%0.362CS..Hα-helixtrans-63.9-44.2178.6-69.8170.4000111.8K715 W730 I731 H734 L735 S740 M741 E742K715-L738 HydrophobicContact CD-CD2 4.1Å; W730-L738 HydrophobicContact CH2-CD2 4.33Å; W730-L738 HydrophobicContact CZ3-CD1 4.02Å; W730-L738 HydrophobicContact CZ3-CD2 4.35Å; I731-L738 HydrophobicContact CG1-CD1 3.96Å; H734-L738 WeakPolarHBondContact O-CB 3.31Å; H734-L738 WeakPolarHBondContact O-CG 3.09Å; H734-L738 PolarHBondContact O-N 2.9Å; L735-L738 PolarHBondContact O-N 3.44Å; L738-S740 VanDerWaalsContact C-N 3.32Å; L738-M741 PolarHBondContact O-N 2.86Å; L738-E742 PolarHBondContact O-N 2.64Å; L738-E742 VanDerWaalsContact O-N 3.08Å
739D69.2Low62Low43 Ų4371.7 Ų71.723%0.2340%0.398CS..Hα-helixtrans-64.4-39176.9-73-14.1000110.3R450 L735 M741 E742 V743R450-D739 IonicContact CZ-OD2 3.98Å; R450-D739 IonicContact NH2-OD1 3.59Å; R450-D739 IonicContact NH2-OD2 3.12Å; R450-D739 PolarHBondContact NH2-OD2 2.82Å; L735-D739 WeakPolarHBondContact O-CB 3.46Å; L735-D739 PolarHBondContact O-N 3.28Å; D739-M741 PolarHBondContact O-N 2.95Å; D739-E742 PolarHBondContact O-N 3.34Å; D739-V743 WeakPolarHBondContact O-CG2 3.37Å; D739-V743 PolarHBondContact O-N 3.01Å
740S60.3Low59.7Low36 Ų3671.5 Ų71.525%0.25241%0.409SS..Hα-helixtrans-65.7-36.5175.980.70000113.1D736 D737 L738 S744D736-S740 VanDerWaalsContact O-CB 3.31Å; D736-S740 WeakPolarHBondContact O-CB 3.18Å; D736-S740 PolarHBondContact O-N 3.16Å; D736-S740 PolarHBondContact O-OG 3.37Å; D737-S740 PolarHBondContact O-N 2.94Å; D737-S740 PolarHBondContact O-OG 2.84Å; L738-S740 VanDerWaalsContact C-N 3.32Å; S740-S744 PolarHBondContact O-N 2.81Å
741M57Low57.1Low101 Ų10173 Ų7350%0.49844%0.435SS..Hα-helixtrans-68.6-41.6177.1-72.5179.277.800111.9D737 L738 D739 V743 S744 E745D737-M741 VanDerWaalsContact O-CG 3.29Å; D737-M741 WeakPolarHBondContact O-CG 3.41Å; D737-M741 PolarHBondContact O-N 2.84Å; L738-M741 PolarHBondContact O-N 2.86Å; D739-M741 PolarHBondContact O-N 2.95Å; M741-V743 VanDerWaalsContact C-N 3.34Å; M741-V743 PolarHBondContact O-N 3.43Å; M741-S744 PolarHBondContact O-N 2.76Å; M741-S744 PolarHBondContact O-OG 2.81Å; M741-E745 PolarHBondContact O-N 2.82Å
742E54.7Low54.6Low77 Ų7782.1 Ų82.136%0.3648%0.478SS..Hα-helixtrans-62.3-39.6177-77.2-173.8-179.800112.1Q712 L738 D739 S744 E745 A746Q712-E742 PolarHBondContact NE2-OE1 3.05Å; L738-E742 PolarHBondContact O-N 2.64Å; L738-E742 VanDerWaalsContact O-N 3.08Å; D739-E742 PolarHBondContact O-N 3.34Å; E742-S744 VanDerWaalsContact C-N 3.32Å; E742-S744 PolarHBondContact O-N 2.92Å; E742-E745 PolarHBondContact O-N 2.79Å; E742-A746 WeakPolarHBondContact O-CB 3.34Å; E742-A746 PolarHBondContact O-N 2.9Å
743V51.3Low52.2Low89 Ų8985.7 Ų85.754%0.53951%0.508SS..Hα-helixtrans-65.4-37.4175.3-179.20000111.2D739 M741 G747D739-V743 WeakPolarHBondContact O-CG2 3.37Å; D739-V743 PolarHBondContact O-N 3.01Å; M741-V743 VanDerWaalsContact C-N 3.34Å; M741-V743 PolarHBondContact O-N 3.43Å; V743-G747 PolarHBondContact O-N 2.95Å
744S47.1Very low50.1Low70 Ų7091.7 Ų91.749%0.4953%0.527SS..Hα-helixtrans-69.6-30.2178.180.20000113.8S740 M741 E742S740-S744 PolarHBondContact O-N 2.81Å; M741-S744 PolarHBondContact O-N 2.76Å; M741-S744 PolarHBondContact O-OG 2.81Å; E742-S744 VanDerWaalsContact C-N 3.32Å; E742-S744 PolarHBondContact O-N 2.92Å
745E42Very low47.6Very low127 Ų12792.4 Ų92.459%0.59355%0.55SS**Hα-helixtrans-79.7-38.7174-75.8-169.3152.700112.3M741 E742 G747 R748M741-E745 PolarHBondContact O-N 2.82Å; E742-E745 PolarHBondContact O-N 2.79Å; E745-G747 VanDerWaalsContact C-N 3.29Å; E745-G747 PolarHBondContact O-N 2.87Å; E745-R748 PolarHBondContact O-N 2.77Å
746A40.4Very low45.5Very low73 Ų7395.2 Ų95.260%0.60358%0.582SS**Hα-helixtrans-64.9-32.4174.200000112.5E742 R748 S749E742-A746 WeakPolarHBondContact O-CB 3.34Å; E742-A746 PolarHBondContact O-N 2.9Å; A746-R748 VanDerWaalsContact C-N 3.28Å; A746-R748 PolarHBondContact O-N 2.74Å; A746-S749 PolarHBondContact O-N 2.82Å
747G36.3Very low43.7Very low47 Ų47104.2 Ų104.249%0.48561%0.611SS.*G310 helixtrans-69.5-14.5175.900000115.4V743 E745 S749V743-G747 PolarHBondContact O-N 2.95Å; E745-G747 VanDerWaalsContact C-N 3.29Å; E745-G747 PolarHBondContact O-N 2.87Å; G747-S749 PolarHBondContact O-N 2.66Å
748R36.9Very low41.8Very low210 Ų210106.8 Ų106.879%0.79263%0.625SS**G310 helixtrans-74.8-8.7177-72.3-178.6-179.7-177.20.4113.9E745 A746E745-R748 PolarHBondContact O-N 2.77Å; A746-R748 VanDerWaalsContact C-N 3.28Å; A746-R748 PolarHBondContact O-N 2.74Å
749S35.7Very low40.1Very low116 Ų116111.4 Ų111.481%0.81166%0.656SS**G310 helixtrans-96.10.9178-55.60000114.2A746 G747A746-S749 PolarHBondContact O-N 2.82Å; G747-S749 PolarHBondContact O-N 2.66Å
750A33.6Very low38.7Very low83 Ų83114 Ų11469%0.68668%0.675SS**  trans-14376.7179.800000111.2
751A32Very low38Very low98 Ų98116 Ų11681%0.8169%0.687SS**  trans-83.8107.5164.200000109.1
752E31.6Very low38.3Very low192 Ų192113.6 Ų113.690%0.89769%0.688SS**  trans167.688.9140.1-93.9179.9-170.500110.6
753S28.1Very low39.2Very low117 Ų117111.4 Ų111.482%0.81868%0.68SS**  trans-175.5110.1142.2580000109.9G755S753-G755 PolarHBondContact O-N 3.08Å
754E36.2Very low40.7Very low210 Ų210116.2 Ų116.298%0.98169%0.689SS**  trans-69120.5166.5-72.5-168.2145.400110
755G27.1Very low42.8Very low74 Ų74115.1 Ų115.176%0.76368%0.679SS**SBendtrans169.310317100000111.3S753S753-G755 PolarHBondContact O-N 3.08Å
756G29.5Very low45.2Very low71 Ų71112 Ų11273%0.73266%0.662SS**  trans63.589.1168.400000115.4D758G756-D758 VanDerWaalsContact C-N 3.34Å; G756-D758 PolarHBondContact O-N 3.46Å
757R28.7Very low47.8Very low250 Ų250112.3 Ų112.394%0.94365%0.654SS**  trans-69.697.3159.4-79.6-178.6177.2169.3-0.7107.5
758D30.3Very low50.5Low149 Ų149110.9 Ų110.980%0.79764%0.639SS**PPolyproline II helixtrans-56.4140.2159.2-76.6-37.2000108.3G756G756-D758 VanDerWaalsContact C-N 3.34Å; G756-D758 PolarHBondContact O-N 3.46Å
759P35.3Very low53.3Low107 Ų107103 Ų10370%0.69561%0.614SS**PPolyproline II helixtrans-58.4154176.223.6-31000110.5
760P39.1Very low56.1Low96 Ų9697.6 Ų97.662%0.62358%0.577SS**PPolyproline II helixtrans-53.4147.1179.922.3-32000110.6G762P760-G762 PolarHBondContact O-N 2.86Å
761P46.3Very low59.1Low80 Ų8098.2 Ų98.252%0.51957%0.565SS.*  trans-64.2104.3-177.225.2-31.2000109.4
762G61.6Low62.2Low50 Ų5093.7 Ų93.752%0.51553%0.527SS..  trans-69.7177.3172.100000112.4P760 R764P760-G762 PolarHBondContact O-N 2.86Å; G762-R764 PolarHBondContact O-N 2.88Å
763P74Confident65.3Low30 Ų3086.7 Ų86.720%0.19549%0.494CS..  trans-58.2136.2-178.420.8-30.5000110.9L462 V481 D736 V765L462-P763 HydrophobicContact CD2-CG 4.08Å; V481-P763 HydrophobicContact CG2-CB 3.76Å; V481-P763 HydrophobicContact CG2-CG 3.37Å; D736-P763 WeakPolarHBondContact OD2-CD 3.47Å; P763-V765 PolarHBondContact O-N 2.81Å; P763-V765 VanDerWaalsContact O-N 3.15Å
764R83.2Confident68.6Low191 Ų19181.1 Ų81.172%0.72146%0.455SS*.  trans-62.9117.4-179.6-67.5-176.3-179.7178.70.9110.1R460 G762R460-R764 WeakPolarHBondContact CD-O 3.33Å; R460-R764 PolarHBondContact NH1-O 3.03Å; G762-R764 PolarHBondContact O-N 2.88Å
765V90.4Very high71.5Confident46 Ų4671.8 Ų71.828%0.27941%0.411SS..  trans-131.5145.3176.8-66.50000110.6R460 L462 P763R460-V765 HydrophobicContact CG-CG1 4.04Å; L462-V765 HydrophobicContact CD1-CG2 3.89Å; L462-V765 HydrophobicContact CD2-CG1 4.22Å; L462-V765 HydrophobicContact CG-CG1 3.99Å; L462-V765 HydrophobicContact CG-CG2 4.09Å; P763-V765 PolarHBondContact O-N 2.81Å; P763-V765 VanDerWaalsContact O-N 3.15Å
766R93.2Very high74.8Confident61 Ų6168.3 Ų68.323%0.2338%0.375CS..  trans-94.9116.2172.8-74.3-177.2-88.7-176.5-25.6108.9D347 E457 F559 D561D347-R766 IonicContact OD1-CZ 3.2Å; D347-R766 IonicContact OD1-NH1 2.66Å; D347-R766 PolarHBondContact OD1-NH1 3.04Å; D347-R766 IonicContact OD1-NH2 3.36Å; D347-R766 PolarHBondContact OD1-NH2 3.27Å; D347-R766 IonicContact OD2-NH1 2.91Å; E457-R766 VanDerWaalsContact C-NH2 3.32Å; E457-R766 PolarHBondContact O-NE 3.4Å; F559-R766 VanDerWaalsContact O-O 3.07Å; D561-R766 WeakPolarHBondContact OD1-CB 3.44Å; D561-R766 WeakPolarHBondContact OD2-CD 3.42Å; D561-R766 IonicContact OD2-CZ 3.25Å; D561-R766 IonicContact OD2-NE 3.39Å; D561-R766 IonicContact OD2-NH1 2.77Å; D561-R766 PolarHBondContact OD2-NH1 3.13Å
767D94.2Very high78.1Confident81 Ų8164.9 Ų64.943%0.43334%0.34SS..  trans-105151.2-179.9-163.724000112.2S558 F559 R597S558-D767 VanDerWaalsContact CA-OD1 3.27Å; S558-D767 WeakPolarHBondContact CA-OD1 3.34Å; S558-D767 WeakPolarHBondContact CB-OD1 3.26Å; F559-D767 PolarHBondContact N-OD1 3.47Å; R597-D767 IonicContact CZ-OD1 2.62Å; R597-D767 IonicContact CZ-OD2 3.75Å; R597-D767 IonicContact NH1-OD1 2.71Å; R597-D767 IonicContact NH1-OD2 3.98Å; R597-D767 PolarHBondContact NH1-OD2 2.79Å; R597-D767 IonicContact NH2-OD1 3.37Å; R597-D767 PolarHBondContact NH2-OD1 2.92Å; R597-D767 IonicContact NH2-OD2 2.78Å; R597-D767 PolarHBondContact NH2-OD2 3.02Å
768G93.7Very high81.4Confident17 Ų1753 Ų5318%0.17530%0.295CS..  trans-168.8-171.6-178.300000114.1R597R597-G768 PolarHBondContact NH2-O 2.93Å
769P94.9Very high84.3Confident43 Ų4345.9 Ų45.928%0.27926%0.257SS..  trans-64.1141.2176.127.1-34.4000111.1K771 R826P769-K771 PolarHBondContact O-N 3.02Å; P769-R826 HydrophobicContact CG-CG 4.38Å; P769-R826 WeakPolarHBondContact O-CD 3.41Å; P769-R826 WeakPolarHBondContact O-CG 3.5Å
770G94.6Very high86.7Confident3 Ų341.3 Ų41.33%0.03123%0.227CC..SBendtrans-76.530.2-179.500000114.8L593 Y772L593-G770 PolarHBondContact N-O 3.47Å; G770-Y772 VanDerWaalsContact C-CE2 3.48Å; G770-Y772 WeakPolarHBondContact O-CD2 3.17Å
771K97Very high88.4Confident97 Ų9736.8 Ų36.842%0.42220%0.197SC..EExtended strand (participates in β ladder)trans-108.3129.4-176.5-66.6178.5-176.1168.20110.6L591 P769 R826 V827L591-K771 CarbonylContact O-C 3.59Å; L591-K771 WeakPolarHBondContact O-CA 3.48Å; P769-K771 PolarHBondContact O-N 3.02Å; K771-R826 WeakPolarHBondContact O-CA 3.3Å; K771-V827 PolarHBondContact O-N 3.26Å
772Y97.4Very high89.1Confident3 Ų333 Ų331%0.01217%0.173CC..EExtended strand (participates in β ladder)trans-135.8155.2-172.2-58.5-94.8000113.5F559 P560 L563 T590 L591 L593 G770 R825 R826F559-Y772 VanDerWaalsContact CB-OH 3.24Å; F559-Y772 WeakPolarHBondContact CB-OH 3.32Å; F559-Y772 HydrophobicContact CD1-CE2 4.48Å; P560-Y772 VanDerWaalsContact CD-OH 3.3Å; P560-Y772 WeakPolarHBondContact CD-OH 3.26Å; P560-Y772 WeakPolarHBondContact O-CE1 3.41Å; P560-Y772 PolarHBondContact O-OH 3.11Å; L563-Y772 HydrophobicContact CB-CD1 3.92Å; L563-Y772 HydrophobicContact CB-CE1 3.59Å; L563-Y772 HydrophobicContact CD2-CD2 4.34Å; L563-Y772 HydrophobicContact CD2-CE2 4.19Å; T590-Y772 CarbonylContact C-O 3.55Å; T590-Y772 WeakPolarHBondContact CA-O 3.47Å; L591-Y772 PolarHBondContact N-O 2.85Å; L591-Y772 PolarHBondContact O-N 2.81Å; L593-Y772 HydrophobicContact CD1-CE2 4.16Å; L593-Y772 HydrophobicContact CG-CE2 4.47Å; G770-Y772 VanDerWaalsContact C-CE2 3.48Å; G770-Y772 WeakPolarHBondContact O-CD2 3.17Å; Y772-R825 CarbonylContact C-O 3.56Å; Y772-R825 VanDerWaalsContact CA-O 3.3Å; Y772-R825 WeakPolarHBondContact CA-O 3.14Å; Y772-R826 HydrophobicContact CD1-CB 4.04Å; Y772-R826 HydrophobicContact CE1-CB 3.91Å; Y772-R826 HydrophobicContact CE1-CG 4.35Å
773E96.9Very high89.1Confident44 Ų4432.6 Ų32.621%0.20616%0.161CC..EExtended strand (participates in β ladder)trans-117.5133.2168.8-171.3-169.7-178.700109.6D589 F775 K795 Y824 R825 V827D589-E773 CarbonylContact O-C 3.6Å; D589-E773 WeakPolarHBondContact O-CA 3.2Å; E773-F775 PolarHBondContact O-N 3Å; E773-K795 IonicContact OE1-NZ 3.96Å; E773-K795 PolarHBondContact OE1-NZ 3.27Å; E773-Y824 CarbonylContact O-C 3.56Å; E773-Y824 WeakPolarHBondContact O-CA 3.41Å; E773-R825 PolarHBondContact N-O 3.27Å; E773-R825 PolarHBondContact O-N 2.8Å; E773-R825 IonicContact OE2-NH2 3.95Å; E773-V827 HydrophobicContact CB-CG2 4.12Å
774L97Very high88.5Confident1 Ų132.5 Ų32.51%0.00516%0.161CC..EExtended strand (participates in β ladder)trans-66.3124.6174.6-178.269.5000109.4D589 W800 K816 Y822 Y824D589-L774 PolarHBondContact O-N 3.43Å; L774-W800 HydrophobicContact CD2-CH2 4.02Å; L774-W800 HydrophobicContact CD2-CZ2 4.19Å; L774-W800 HydrophobicContact CG-CH2 4.03Å; L774-W800 HydrophobicContact CG-CZ2 4.43Å; L774-K816 HydrophobicContact CD2-CD 3.94Å; L774-K816 HydrophobicContact CD2-CG 4.38Å; L774-Y822 HydrophobicContact CD1-CD1 4.01Å; L774-Y824 HydrophobicContact CB-CD1 4.1Å; L774-Y824 HydrophobicContact CB-CE1 3.67Å; L774-Y824 HydrophobicContact CD1-CD2 4.21Å; L774-Y824 HydrophobicContact CD1-CE1 4.26Å; L774-Y824 HydrophobicContact CD1-CE2 3.88Å
775F96.6Very high87.6Confident14 Ų1425.5 Ų25.56%0.06114%0.139CC..EExtended strand (participates in β ladder)trans-122.3-21.4177.681.4-86.4000113.6V341 T344 V345 H562 E773 K795 F823 R825V341-F775 HydrophobicContact CG1-CE2 4.34Å; V341-F775 HydrophobicContact CG1-CZ 4.44Å; T344-F775 WeakPolarHBondContact OG1-CE2 2.96Å; V345-F775 HydrophobicContact CG2-CZ 4.3Å; H562-F775 AromaticContact CD2-CE1 3.65Å; H562-F775 AromaticContact CD2-CZ 3.88Å; E773-F775 PolarHBondContact O-N 3Å; F775-K795 WeakPolarHBondContact O-CB 3.45Å; F775-K795 PolarHBondContact O-N 2.9Å; F775-F823 HydrophobicContact CD1-CB 4.2Å; F775-F823 WeakPolarHBondContact CD1-O 3.49Å; F775-F823 VanDerWaalsContact CE1-C 3.48Å; F775-F823 HydrophobicContact CE1-CB 3.45Å; F775-F823 VanDerWaalsContact CE1-CB 3.45Å; F775-F823 WeakPolarHBondContact CE1-O 3.03Å; F775-F823 HydrophobicContact CE2-CB 4.31Å; F775-F823 HydrophobicContact CZ-CB 3.52Å; F775-F823 HydrophobicContact CZ-CG 4.4Å; F775-F823 PolarHBondContact N-O 3.15Å; F775-R825 HydrophobicContact CD1-CB 3.74Å; F775-R825 HydrophobicContact CE1-CB 4.27Å; F775-R825 HydrophobicContact CG-CB 4.45Å
776A98.1Very high85.8Confident0 Ų030.8 Ų30.80%016%0.162CC..EExtended strand (participates in β ladder)trans-154.1157.8175.400000112.4V341 H793 I794 F823V341-A776 HydrophobicContact CG1-CB 3.92Å; V341-A776 HydrophobicContact CG2-CB 4.08Å; A776-H793 CarbonylContact C-O 3.39Å; A776-H793 WeakPolarHBondContact CA-O 3.44Å; A776-H793 WeakPolarHBondContact CB-O 3.27Å; A776-I794 HydrophobicContact CB-CB 4.4Å; A776-I794 HydrophobicContact CB-CG1 4.02Å; A776-I794 HydrophobicContact CB-CG2 4.3Å; A776-F823 HydrophobicContact CB-CB 4.15Å; A776-F823 HydrophobicContact CB-CD2 4.47Å; A776-F823 PolarHBondContact N-O 2.77Å; A776-F823 PolarHBondContact O-N 3.08Å
777F97.9Very high84.1Confident0 Ų029 Ų290%016%0.159CC..EExtended strand (participates in β ladder)trans-150.2152.2167.263.1-86.5000111.3S779 C792 H793 W800 P814 P815 K816 L821 Y822F777-S779 WeakPolarHBondContact CD2-OG 3.42Å; F777-S779 WeakPolarHBondContact CE2-OG 3.08Å; F777-C792 CarbonylContact O-C 3.59Å; F777-C792 VanDerWaalsContact O-CA 3.31Å; F777-C792 WeakPolarHBondContact O-CA 3.32Å; F777-H793 HydrophobicContact CD1-CB 3.94Å; F777-H793 HydrophobicContact CD2-CB 4.36Å; F777-H793 HydrophobicContact CE1-CB 3.4Å; F777-H793 VanDerWaalsContact CE1-CB 3.4Å; F777-H793 HydrophobicContact CE2-CB 3.88Å; F777-H793 AromaticContact CE2-CG 3.84Å; F777-H793 AromaticContact CE2-ND1 3.55Å; F777-H793 HydrophobicContact CG-CB 4.39Å; F777-H793 HydrophobicContact CZ-CB 3.37Å; F777-H793 AromaticContact CZ-CG 3.46Å; F777-H793 VanDerWaalsContact CZ-CG 3.46Å; F777-H793 AromaticContact CZ-ND1 3.66Å; F777-H793 PolarHBondContact N-O 2.95Å; F777-H793 PolarHBondContact O-N 2.98Å; F777-W800 AromaticContact CD1-CH2 3.93Å; F777-W800 HydrophobicContact CD1-CH2 3.93Å; F777-W800 AromaticContact CD1-CZ3 3.77Å; F777-W800 HydrophobicContact CD1-CZ3 3.77Å; F777-W800 HydrophobicContact CE1-CE3 4.17Å; F777-W800 AromaticContact CE1-CH2 3.95Å; F777-W800 HydrophobicContact CE1-CH2 3.95Å; F777-W800 AromaticContact CE1-CZ3 3.65Å; F777-W800 HydrophobicContact CE1-CZ3 3.65Å; F777-P814 HydrophobicContact CE1-CB 4.13Å; F777-P814 HydrophobicContact CZ-CB 3.99Å; F777-P815 HydrophobicContact CE2-CG 4.2Å; F777-P815 HydrophobicContact CZ-CG 4.32Å; F777-K816 HydrophobicContact CD1-CG 4.49Å; F777-K816 HydrophobicContact CE1-CG 3.77Å; F777-K816 HydrophobicContact CZ-CG 4.16Å; F777-L821 CarbonylContact C-O 3.54Å; F777-L821 WeakPolarHBondContact CA-O 3.23Å; F777-L821 WeakPolarHBondContact CB-O 3.27Å; F777-Y822 HydrophobicContact CB-CD1 3.54Å; F777-Y822 HydrophobicContact CB-CE1 3.87Å; F777-Y822 HydrophobicContact CB-CG 4.17Å; F777-Y822 HydrophobicContact CG-CD1 4.26Å; F777-Y822 HydrophobicContact CG-CE1 4.18Å
778I97.4Very high82.8Confident0 Ų025.7 Ų25.70%014%0.144CC..EExtended strand (participates in β ladder)trans-111129.8176.2-60.2172.6000107.8V338 V341 A434 Y790 V791 C792 Y820 L821 F823V338-I778 HydrophobicContact CG2-CD1 3.89Å; V341-I778 HydrophobicContact CG2-CD1 4.23Å; V341-I778 HydrophobicContact CG2-CG1 4.01Å; A434-I778 HydrophobicContact CB-CG2 4.28Å; I778-Y790 HydrophobicContact CG2-CD1 3.64Å; I778-Y790 HydrophobicContact CG2-CE1 4.22Å; I778-V791 WeakPolarHBondContact CA-O 3.46Å; I778-C792 HydrophobicContact CG1-CB 3.88Å; I778-Y820 WeakPolarHBondContact O-CA 3.39Å; I778-Y820 WeakPolarHBondContact O-CB 3.19Å; I778-Y820 PolarHBondContact O-N 3.04Å; I778-L821 HydrophobicContact CB-CB 4.21Å; I778-L821 HydrophobicContact CD1-CD1 4.24Å; I778-L821 PolarHBondContact N-O 3.4Å; I778-L821 PolarHBondContact O-N 3.22Å; I778-L821 VanDerWaalsContact O-N 3.12Å; I778-F823 HydrophobicContact CD1-CE2 3.77Å; I778-F823 HydrophobicContact CD1-CZ 4.07Å; I778-F823 HydrophobicContact CG1-CE2 3.97Å
779S91.9Very high82Confident0 Ų025.9 Ų25.90%014%0.141CC..EExtended strand (participates in β ladder)trans-111.7131.9-178.9-60.50000110.6F777 Y790 V791F777-S779 WeakPolarHBondContact CD2-OG 3.42Å; F777-S779 WeakPolarHBondContact CE2-OG 3.08Å; S779-Y790 WeakPolarHBondContact O-CA 3.3Å; S779-Y790 WeakPolarHBondContact O-CD1 3.39Å; S779-V791 PolarHBondContact N-O 3.48Å; S779-V791 PolarHBondContact O-N 3.48Å; S779-V791 VanDerWaalsContact O-N 3.17Å
780H85.9Confident81.5Confident11 Ų1124.3 Ų24.35%0.05113%0.129CC..EExtended strand (participates in β ladder)trans-95.3112.1167.9-178.1-107000109.7K580 S784 G788 Y790K580-H780 PolarHBondContact NZ-O 3.04Å; H780-S784 PolarHBondContact CE1-O 3.07Å; H780-G788 WeakPolarHBondContact NE2-CA 3.37Å; H780-Y790 HydrophobicContact CB-CD1 4.14Å; H780-Y790 HydrophobicContact CB-CE1 3.56Å; H780-Y790 AromaticContact CD2-CE1 3.83Å; H780-Y790 AromaticContact CD2-CE2 3.61Å; H780-Y790 AromaticContact CD2-CZ 3.44Å; H780-Y790 VanDerWaalsContact CD2-CZ 3.44Å; H780-Y790 AromaticContact CG-CZ 4Å
781M73.6Confident81.3Confident0 Ų024.2 Ų24.20%013%0.128CC..EExtended strand (participates in β ladder)trans-90.7130.6179.1-54.4168.465.200110.4W305 I308 Q309 G788 H789 V791W305-M781 VanDerWaalsContact CA-CE 3.44Å; W305-M781 HydrophobicContact CB-CE 3.94Å; W305-M781 HydrophobicContact CD2-CE 3.46Å; W305-M781 VanDerWaalsContact CD2-CE 3.46Å; W305-M781 HydrophobicContact CE3-CE 3.79Å; W305-M781 HydrophobicContact CG-CE 3.55Å; I308-M781 HydrophobicContact CB-CE 4.04Å; I308-M781 HydrophobicContact CB-CG 4.02Å; I308-M781 HydrophobicContact CB-SD 4.21Å; I308-M781 HydrophobicContact CD1-CB 4.33Å; I308-M781 HydrophobicContact CD1-CG 3.7Å; I308-M781 HydrophobicContact CG1-CG 4.46Å; I308-M781 HydrophobicContact CG2-CE 4.21Å; I308-M781 HydrophobicContact CG2-CG 3.61Å; I308-M781 HydrophobicContact CG2-SD 3.72Å; Q309-M781 HydrophobicContact CG-CE 3.66Å; Q309-M781 HydrophobicContact CG-SD 4.12Å; M781-G788 CarbonylContact O-C 3.52Å; M781-G788 WeakPolarHBondContact O-CA 3.19Å; M781-H789 HydrophobicContact CB-CB 4.36Å; M781-H789 WeakPolarHBondContact CB-O 3.24Å; M781-H789 WeakPolarHBondContact CG-O 3.47Å; M781-H789 PolarHBondContact N-O 3.33Å; M781-H789 PolarHBondContact O-N 3.42Å; M781-H789 HydrophobicContact SD-CB 4.42Å; M781-V791 HydrophobicContact SD-CG1 3.85Å; M781-V791 HydrophobicContact SD-CG2 4.08Å
782G62.2Low81.3Confident2 Ų219.6 Ų19.62%0.02111%0.108CC..SBendtrans120.4148.7179.400000112.6E304 K580E304-G782 PolarHBondContact OE2-N 3.45Å; K580-G782 WeakPolarHBondContact CD-O 3.49Å; K580-G782 WeakPolarHBondContact CE-O 3.31Å; K580-G782 PolarHBondContact NZ-O 3.22Å
783T60.1Low81.3Confident41 Ų4119.4 Ų19.425%0.25211%0.107SC..SBendtrans-88-13.7-173.752.70000113.3V302V302-T783 HydrophobicContact CG1-CG2 4.47Å; V302-T783 HydrophobicContact CG2-CG2 4.47Å
784S62.5Low81.3Confident28 Ų2817.4 Ų17.420%0.19610%0.098CC..  trans-81.6153.8178.4-175.60000111.9H780 M786 C787H780-S784 PolarHBondContact CE1-O 3.07Å; S784-M786 PolarHBondContact OG-N 2.97Å; S784-M786 VanDerWaalsContact OG-N 3.08Å; S784-C787 VanDerWaalsContact CB-SG 3.5Å; S784-C787 PolarHBondContact OG-N 3.24Å
785T63.1Low81.2Confident44 Ų4419.6 Ų19.627%0.2711%0.107SC..SBendtrans-86.8-22.9168.1490000112.3F570 P578 K580F570-T785 HydrophobicContact CD1-CG2 3.8Å; F570-T785 HydrophobicContact CE1-CG2 4.2Å; P578-T785 HydrophobicContact CB-CG2 4.08Å; P578-T785 VanDerWaalsContact O-CG2 3.27Å; P578-T785 WeakPolarHBondContact O-CG2 3.31Å; P578-T785 PolarHBondContact O-OG1 3.18Å; K580-T785 HydrophobicContact CB-CG2 4.15Å; K580-T785 VanDerWaalsContact N-CG2 3.29Å
786M54Low80.9Confident156 Ų15621.1 Ų21.177%0.76811%0.114SC*.SBendtrans-94.1-18.2-176.5-58.7-58.8-66.400112.6S784S784-M786 PolarHBondContact OG-N 2.97Å; S784-M786 VanDerWaalsContact OG-N 3.08Å
787C58.1Low80.2Confident23 Ų2329 Ų2916%0.15516%0.156CC..  trans-146.5151.4178.567.90000114.2S784S784-C787 VanDerWaalsContact CB-SG 3.5Å; S784-C787 PolarHBondContact OG-N 3.24Å
788G65.8Low79.6Confident12 Ų1235.8 Ų35.812%0.12419%0.188CC..  trans172.6-169.6174.100000112.3Q431 H780 M781Q431-G788 PolarHBondContact OE1-O 2.72Å; Q431-G788 VanDerWaalsContact OE1-O 3.12Å; H780-G788 WeakPolarHBondContact NE2-CA 3.37Å; M781-G788 CarbonylContact O-C 3.52Å; M781-G788 WeakPolarHBondContact O-CA 3.19Å
789H76.4Confident79.3Confident22 Ų2240.5 Ų40.510%0.10221%0.21CC..EExtended strand (participates in β ladder)trans-130.5135-179.9-172.164.5000111W305 M781 N804 D805W305-H789 HydrophobicContact CH2-CB 3.73Å; W305-H789 AromaticContact CH2-CG 3.88Å; W305-H789 HydrophobicContact CZ2-CB 3.51Å; M781-H789 HydrophobicContact CB-CB 4.36Å; M781-H789 WeakPolarHBondContact CB-O 3.24Å; M781-H789 WeakPolarHBondContact CG-O 3.47Å; M781-H789 PolarHBondContact N-O 3.33Å; M781-H789 PolarHBondContact O-N 3.42Å; M781-H789 HydrophobicContact SD-CB 4.42Å; H789-N804 PolarHBondContact NE2-OD1 2.7Å; H789-D805 IonicContact CE1-OD2 3.59Å; H789-D805 PolarHBondContact CE1-OD2 2.96Å
790Y85.8Confident79.5Confident10 Ų1041.9 Ų41.94%0.03922%0.215CC..EExtended strand (participates in β ladder)trans-99.7131.2179.3-79.4-73.4000111.3C333 S337 Q432 D433 A434 I778 S779 H780 Y820C333-Y790 PolarHBondContact SG-N 2.86Å; C333-Y790 VanDerWaalsContact SG-N 3.42Å; S337-Y790 PolarHBondContact OG-O 2.8Å; Q432-Y790 VanDerWaalsContact O-CE2 3.3Å; Q432-Y790 WeakPolarHBondContact O-CE2 3.26Å; D433-Y790 PolarHBondContact OD2-OH 3.01Å; A434-Y790 HydrophobicContact CB-CD1 3.98Å; A434-Y790 HydrophobicContact CB-CE1 3.55Å; A434-Y790 HydrophobicContact CB-CE2 4.3Å; A434-Y790 HydrophobicContact CB-CG 4.5Å; A434-Y790 PolarHBondContact N-OH 3.49Å; I778-Y790 HydrophobicContact CG2-CD1 3.64Å; I778-Y790 HydrophobicContact CG2-CE1 4.22Å; S779-Y790 WeakPolarHBondContact O-CA 3.3Å; S779-Y790 WeakPolarHBondContact O-CD1 3.39Å; H780-Y790 HydrophobicContact CB-CD1 4.14Å; H780-Y790 HydrophobicContact CB-CE1 3.56Å; H780-Y790 AromaticContact CD2-CE1 3.83Å; H780-Y790 AromaticContact CD2-CE2 3.61Å; H780-Y790 AromaticContact CD2-CZ 3.44Å; H780-Y790 VanDerWaalsContact CD2-CZ 3.44Å; H780-Y790 AromaticContact CG-CZ 4Å; Y790-Y820 AromaticContact CE1-CD1 3.92Å; Y790-Y820 HydrophobicContact CE1-CD1 3.92Å; Y790-Y820 HydrophobicContact CE1-CE1 4.43Å
791V89Confident79.9Confident0 Ų041.6 Ų41.60%021%0.214CC..EExtended strand (participates in β ladder)trans-130.1157.5167.1-59.10000109.1I308 I778 S779 M781 N804I308-V791 HydrophobicContact CG2-CG2 3.5Å; I778-V791 WeakPolarHBondContact CA-O 3.46Å; S779-V791 PolarHBondContact N-O 3.48Å; S779-V791 PolarHBondContact O-N 3.48Å; S779-V791 VanDerWaalsContact O-N 3.17Å; M781-V791 HydrophobicContact SD-CG1 3.85Å; M781-V791 HydrophobicContact SD-CG2 4.08Å; V791-N804 HydrophobicContact CG1-CB 3.84Å
792C97Very high80.8Confident0 Ų041.9 Ų41.90%022%0.215CC..EExtended strand (participates in β ladder)trans-125.2147.3171.3720000111.7Q340 V341 F777 I778 F803Q340-C792 VanDerWaalsContact CB-SG 3.56Å; V341-C792 HydrophobicContact CG2-CB 4Å; F777-C792 CarbonylContact O-C 3.59Å; F777-C792 VanDerWaalsContact O-CA 3.31Å; F777-C792 WeakPolarHBondContact O-CA 3.32Å; I778-C792 HydrophobicContact CG1-CB 3.88Å; C792-F803 PolarHBondContact N-O 2.88Å; C792-F803 PolarHBondContact O-N 3.07Å
793H97.4Very high82.3Confident0 Ų042 Ų420%022%0.215CC..EExtended strand (participates in β ladder)trans-114.4131.6173.6-7178.8000108I308 A776 F777 W800 V801I308-H793 PolarHBondContact O-CE1 2.89Å; A776-H793 CarbonylContact C-O 3.39Å; A776-H793 WeakPolarHBondContact CA-O 3.44Å; A776-H793 WeakPolarHBondContact CB-O 3.27Å; F777-H793 HydrophobicContact CD1-CB 3.94Å; F777-H793 HydrophobicContact CD2-CB 4.36Å; F777-H793 HydrophobicContact CE1-CB 3.4Å; F777-H793 VanDerWaalsContact CE1-CB 3.4Å; F777-H793 HydrophobicContact CE2-CB 3.88Å; F777-H793 AromaticContact CE2-CG 3.84Å; F777-H793 AromaticContact CE2-ND1 3.55Å; F777-H793 HydrophobicContact CG-CB 4.39Å; F777-H793 HydrophobicContact CZ-CB 3.37Å; F777-H793 AromaticContact CZ-CG 3.46Å; F777-H793 VanDerWaalsContact CZ-CG 3.46Å; F777-H793 AromaticContact CZ-ND1 3.66Å; F777-H793 PolarHBondContact N-O 2.95Å; F777-H793 PolarHBondContact O-N 2.98Å; H793-W800 HydrophobicContact CB-CE3 3.93Å; H793-W800 HydrophobicContact CB-CZ3 4.08Å; H793-V801 CarbonylContact C-O 3.58Å; H793-V801 WeakPolarHBondContact CA-O 3.42Å
794I97.5Very high83.6Confident2 Ų241.1 Ų41.11%0.0121%0.209CC..EExtended strand (participates in β ladder)trans-133.7129.8-176.6-52.2177.6000108.9Q340 V341 T344 A776 K796 V801 F803Q340-I794 HydrophobicContact CB-CD1 4Å; V341-I794 HydrophobicContact CG2-CD1 4.07Å; V341-I794 HydrophobicContact CG2-CG1 4.23Å; T344-I794 HydrophobicContact CG2-CD1 3.98Å; T344-I794 HydrophobicContact CG2-CG2 3.9Å; A776-I794 HydrophobicContact CB-CB 4.4Å; A776-I794 HydrophobicContact CB-CG1 4.02Å; A776-I794 HydrophobicContact CB-CG2 4.3Å; I794-K796 HydrophobicContact CG2-CG 4.04Å; I794-K796 PolarHBondContact O-N 2.9Å; I794-V801 PolarHBondContact N-O 2.83Å; I794-V801 PolarHBondContact O-N 3.49Å; I794-F803 HydrophobicContact CB-CD2 4.48Å; I794-F803 HydrophobicContact CB-CE2 4.08Å; I794-F803 HydrophobicContact CD1-CD2 3.92Å; I794-F803 HydrophobicContact CD1-CE2 3.86Å; I794-F803 HydrophobicContact CG1-CD2 4.14Å; I794-F803 HydrophobicContact CG1-CE2 4.15Å
795K95.1Very high84.8Confident47 Ų4740.7 Ų40.720%0.20421%0.205CC..EExtended strand (participates in β ladder)trans-82.4109.4175.6-166.8179.7179.5-171.90109.3E773 F775 Q798 Q799 W800E773-K795 IonicContact OE1-NZ 3.96Å; E773-K795 PolarHBondContact OE1-NZ 3.27Å; F775-K795 WeakPolarHBondContact O-CB 3.45Å; F775-K795 PolarHBondContact O-N 2.9Å; K795-Q798 VanDerWaalsContact NZ-OE1 3.12Å; K795-Q799 CarbonylContact C-O 3.48Å; K795-Q799 WeakPolarHBondContact CA-O 3.39Å; K795-W800 HydrophobicContact CB-CD2 4Å; K795-W800 HydrophobicContact CB-CE3 4.05Å; K795-W800 HydrophobicContact CB-CH2 4.08Å; K795-W800 HydrophobicContact CB-CZ2 4.02Å; K795-W800 HydrophobicContact CB-CZ3 4.09Å; K795-W800 HydrophobicContact CD-CZ2 4.19Å; K795-W800 HydrophobicContact CG-CD2 4.42Å; K795-W800 HydrophobicContact CG-CZ2 4.44Å
796K89.4Confident85.7Confident45 Ų4542.1 Ų42.120%0.19621%0.208CC..EExtended strand (participates in β ladder)trans-120128176.9-60.1-166.8179.3-162.30109.2G322 L323 I794 Q798 Q799 V801G322-K796 PolarHBondContact O-NZ 2.92Å; L323-K796 HydrophobicContact CD2-CD 4.42Å; I794-K796 HydrophobicContact CG2-CG 4.04Å; I794-K796 PolarHBondContact O-N 2.9Å; K796-Q798 PolarHBondContact O-N 3.15Å; K796-Q798 VanDerWaalsContact O-N 3.17Å; K796-Q799 PolarHBondContact N-O 3.39Å; K796-Q799 WeakPolarHBondContact O-CA 3.33Å; K796-Q799 PolarHBondContact O-N 3.31Å; K796-V801 HydrophobicContact CB-CG2 4.49Å
797D85Confident87.1Confident165 Ų16539.8 Ų39.888%0.88219%0.194SC*.THydrogen-bonded Turntrans49.243.2-179.6-56.7-38000114Q799D797-Q799 PolarHBondContact O-N 2.73Å
798Q83.5Confident88.6Confident144 Ų14439 Ų3967%0.67319%0.188SC*.THydrogen-bonded Turntrans665.1-175.5-57.7-65.3-2500115.9K795 K796K795-Q798 VanDerWaalsContact NZ-OE1 3.12Å; K796-Q798 PolarHBondContact O-N 3.15Å; K796-Q798 VanDerWaalsContact O-N 3.17Å
799Q92.6Very high89.6Confident99 Ų9939.3 Ų39.346%0.46319%0.188SC..EExtended strand (participates in β ladder)trans-109.1138.3175.2-174.2171.8300111K795 K796 D797K795-Q799 CarbonylContact C-O 3.48Å; K795-Q799 WeakPolarHBondContact CA-O 3.39Å; K796-Q799 PolarHBondContact N-O 3.39Å; K796-Q799 WeakPolarHBondContact O-CA 3.33Å; K796-Q799 PolarHBondContact O-N 3.31Å; D797-Q799 PolarHBondContact O-N 2.73Å
800W95.3Very high90.2Very high29 Ų2938.6 Ų38.611%0.1119%0.186CC..EExtended strand (participates in β ladder)trans-81.1137.3173.4-75.296.6000110.9L774 F777 H793 K795 S811 P814 K816L774-W800 HydrophobicContact CD2-CH2 4.02Å; L774-W800 HydrophobicContact CD2-CZ2 4.19Å; L774-W800 HydrophobicContact CG-CH2 4.03Å; L774-W800 HydrophobicContact CG-CZ2 4.43Å; F777-W800 AromaticContact CD1-CH2 3.93Å; F777-W800 HydrophobicContact CD1-CH2 3.93Å; F777-W800 AromaticContact CD1-CZ3 3.77Å; F777-W800 HydrophobicContact CD1-CZ3 3.77Å; F777-W800 HydrophobicContact CE1-CE3 4.17Å; F777-W800 AromaticContact CE1-CH2 3.95Å; F777-W800 HydrophobicContact CE1-CH2 3.95Å; F777-W800 AromaticContact CE1-CZ3 3.65Å; F777-W800 HydrophobicContact CE1-CZ3 3.65Å; H793-W800 HydrophobicContact CB-CE3 3.93Å; H793-W800 HydrophobicContact CB-CZ3 4.08Å; K795-W800 HydrophobicContact CB-CD2 4Å; K795-W800 HydrophobicContact CB-CE3 4.05Å; K795-W800 HydrophobicContact CB-CH2 4.08Å; K795-W800 HydrophobicContact CB-CZ2 4.02Å; K795-W800 HydrophobicContact CB-CZ3 4.09Å; K795-W800 HydrophobicContact CD-CZ2 4.19Å; K795-W800 HydrophobicContact CG-CD2 4.42Å; K795-W800 HydrophobicContact CG-CZ2 4.44Å; W800-S811 PolarHBondContact O-N 3.33Å; W800-P814 HydrophobicContact CB-CB 4.34Å; W800-P814 HydrophobicContact CB-CG 4.2Å; W800-P814 HydrophobicContact CD2-CB 4.17Å; W800-P814 HydrophobicContact CD2-CG 4.05Å; W800-P814 HydrophobicContact CE3-CB 4.49Å; W800-P814 HydrophobicContact CG-CB 4.11Å; W800-P814 HydrophobicContact CG-CG 3.72Å; W800-K816 HydrophobicContact CZ2-CD 4.35Å
801V94.8Very high90.4Very high4 Ų438.4 Ų38.42%0.02419%0.187CC..EExtended strand (participates in β ladder)trans-125.6127.3178.7-1790000108.3L318 L323 H793 I794 K796 F803 V808 C809L318-V801 HydrophobicContact CD1-CB 4.35Å; L318-V801 HydrophobicContact CD1-CG1 3.92Å; L318-V801 HydrophobicContact CD1-CG2 3.64Å; L323-V801 HydrophobicContact CD2-CG1 4.04Å; L323-V801 HydrophobicContact CD2-CG2 4.27Å; H793-V801 CarbonylContact C-O 3.58Å; H793-V801 WeakPolarHBondContact CA-O 3.42Å; I794-V801 PolarHBondContact N-O 2.83Å; I794-V801 PolarHBondContact O-N 3.49Å; K796-V801 HydrophobicContact CB-CG2 4.49Å; V801-F803 HydrophobicContact CB-CD2 4.47Å; V801-F803 HydrophobicContact CB-CE2 3.8Å; V801-F803 HydrophobicContact CB-CZ 4.4Å; V801-F803 HydrophobicContact CG1-CD2 3.97Å; V801-F803 HydrophobicContact CG1-CE1 4.48Å; V801-F803 HydrophobicContact CG1-CE2 3.4Å; V801-F803 VanDerWaalsContact CG1-CE2 3.4Å; V801-F803 HydrophobicContact CG1-CZ 3.7Å; V801-V808 HydrophobicContact CG1-CG1 3.59Å; V801-C809 CarbonylContact C-O 3.56Å; V801-C809 WeakPolarHBondContact CA-O 3.4Å; V801-C809 WeakPolarHBondContact CG1-O 2.92Å
802I92.9Very high90.2Very high6 Ų645.6 Ų45.63%0.03122%0.22CC..EExtended strand (participates in β ladder)trans-89.8129.7171-176.3174.6000109.3I308 L315 V808 C809I308-I802 WeakPolarHBondContact O-CD1 3.42Å; L315-I802 HydrophobicContact CD1-CG2 3.84Å; I802-V808 WeakPolarHBondContact O-CA 3.25Å; I802-C809 HydrophobicContact CG2-CB 3.83Å; I802-C809 WeakPolarHBondContact CG2-O 3.12Å; I802-C809 PolarHBondContact N-O 3.05Å; I802-C809 PolarHBondContact O-N 3.44Å; I802-C809 VanDerWaalsContact O-N 3.09Å
803F92.9Very high89.7Confident4 Ų453.7 Ų53.72%0.01826%0.255CS..EExtended strand (participates in β ladder)trans-111.7109.1170.2-64-99.6000108.3L323 Q340 C792 I794 V801 V808L323-F803 HydrophobicContact CD2-CZ 4.26Å; Q340-F803 VanDerWaalsContact CD-CD1 3.43Å; Q340-F803 HydrophobicContact CG-CB 3.99Å; Q340-F803 HydrophobicContact CG-CD1 4.02Å; Q340-F803 HydrophobicContact CG-CG 4.06Å; C792-F803 PolarHBondContact N-O 2.88Å; C792-F803 PolarHBondContact O-N 3.07Å; I794-F803 HydrophobicContact CB-CD2 4.48Å; I794-F803 HydrophobicContact CB-CE2 4.08Å; I794-F803 HydrophobicContact CD1-CD2 3.92Å; I794-F803 HydrophobicContact CD1-CE2 3.86Å; I794-F803 HydrophobicContact CG1-CD2 4.14Å; I794-F803 HydrophobicContact CG1-CE2 4.15Å; V801-F803 HydrophobicContact CB-CD2 4.47Å; V801-F803 HydrophobicContact CB-CE2 3.8Å; V801-F803 HydrophobicContact CB-CZ 4.4Å; V801-F803 HydrophobicContact CG1-CD2 3.97Å; V801-F803 HydrophobicContact CG1-CE1 4.48Å; V801-F803 HydrophobicContact CG1-CE2 3.4Å; V801-F803 VanDerWaalsContact CG1-CE2 3.4Å; V801-F803 HydrophobicContact CG1-CZ 3.7Å; F803-V808 HydrophobicContact CD1-CB 4.34Å; F803-V808 HydrophobicContact CD1-CG1 3.81Å; F803-V808 HydrophobicContact CD1-CG2 3.63Å; F803-V808 HydrophobicContact CE1-CB 4.45Å; F803-V808 HydrophobicContact CE1-CG1 3.57Å; F803-V808 HydrophobicContact CE1-CG2 3.97Å; F803-V808 HydrophobicContact CG-CG1 4.44Å; F803-V808 HydrophobicContact CZ-CG1 3.99Å
804N86.8Confident89.3Confident23 Ų2354.8 Ų54.812%0.12326%0.263CS..EExtended strand (participates in β ladder)trans-121.187.3177.3-177.61.7000108.5Q309 H789 V791 Q806 K807Q309-N804 VanDerWaalsContact CD-ND2 3.27Å; Q309-N804 PolarHBondContact NE2-ND2 2.71Å; H789-N804 PolarHBondContact NE2-OD1 2.7Å; V791-N804 HydrophobicContact CG1-CB 3.84Å; N804-Q806 PolarHBondContact O-N 3.15Å; N804-Q806 VanDerWaalsContact O-N 3.07Å; N804-K807 HydrophobicContact CB-CB 4.45Å; N804-K807 PolarHBondContact N-O 3.39Å; N804-K807 WeakPolarHBondContact O-CB 3.22Å; N804-K807 PolarHBondContact O-N 3.35Å
805D88.1Confident88.9Confident20 Ų2055 Ų5511%0.10726%0.264CS..THydrogen-bonded Turntrans50.3-113.8-172.6-64.9-32.6000111.4G325 M326 N328 N336 H789 K807G325-D805 CarbonylContact C-O 3.52Å; G325-D805 VanDerWaalsContact CA-O 3.26Å; G325-D805 WeakPolarHBondContact CA-O 3.14Å; M326-D805 PolarHBondContact N-O 3.08Å; M326-D805 CarbonylContact O-C 3.57Å; M326-D805 WeakPolarHBondContact O-CA 3.46Å; M326-D805 VanDerWaalsContact O-CB 3.32Å; M326-D805 WeakPolarHBondContact O-CB 3.16Å; N328-D805 HydrophobicContact CB-CB 4.36Å; N328-D805 WeakPolarHBondContact CB-OD2 3.17Å; N328-D805 PolarHBondContact ND2-OD2 3.18Å; N336-D805 PolarHBondContact ND2-OD1 3.41Å; H789-D805 IonicContact CE1-OD2 3.59Å; H789-D805 PolarHBondContact CE1-OD2 2.96Å; D805-K807 VanDerWaalsContact C-N 3.3Å
806Q82.9Confident88.8Confident73 Ų7354.9 Ų54.934%0.34126%0.263SS..THydrogen-bonded Turntrans-73.3-24.7-179.3-64.2172.6-15.600112.6M326 K327 Q407 N804M326-Q806 PolarHBondContact O-N 3.01Å; M326-Q806 VanDerWaalsContact O-N 3.09Å; K327-Q806 HydrophobicContact CB-CG 4.22Å; K327-Q806 VanDerWaalsContact CD-NE2 3.3Å; K327-Q806 HydrophobicContact CG-CG 3.98Å; Q407-Q806 VanDerWaalsContact CG-O 3.29Å; Q407-Q806 WeakPolarHBondContact CG-O 3.44Å; N804-Q806 PolarHBondContact O-N 3.15Å; N804-Q806 VanDerWaalsContact O-N 3.07Å
807K83.1Confident88.9Confident108 Ų10855.2 Ų55.247%0.4727%0.267SS..EExtended strand (participates in β ladder)trans-85.5123.3-174.6-64.3-175.3175.3-175.60109.7D406 N804 D805D406-K807 WeakPolarHBondContact OD2-CE 3.41Å; N804-K807 HydrophobicContact CB-CB 4.45Å; N804-K807 PolarHBondContact N-O 3.39Å; N804-K807 WeakPolarHBondContact O-CB 3.22Å; N804-K807 PolarHBondContact O-N 3.35Å; D805-K807 VanDerWaalsContact C-N 3.3Å
808V89.4Confident89.1Confident5 Ų547.8 Ų47.83%0.0323%0.228CC..EExtended strand (participates in β ladder)trans-127.6116177.3-174.60000108.1L318 L323 Q407 V801 I802 F803L318-V808 HydrophobicContact CB-CG1 4.38Å; L318-V808 PolarHBondContact N-O 3.42Å; L323-V808 HydrophobicContact CB-CG1 4.4Å; L323-V808 HydrophobicContact CD2-CG1 4.21Å; Q407-V808 VanDerWaalsContact NE2-CG2 3.28Å; V801-V808 HydrophobicContact CG1-CG1 3.59Å; I802-V808 WeakPolarHBondContact O-CA 3.25Å; F803-V808 HydrophobicContact CD1-CB 4.34Å; F803-V808 HydrophobicContact CD1-CG1 3.81Å; F803-V808 HydrophobicContact CD1-CG2 3.63Å; F803-V808 HydrophobicContact CE1-CB 4.45Å; F803-V808 HydrophobicContact CE1-CG1 3.57Å; F803-V808 HydrophobicContact CE1-CG2 3.97Å; F803-V808 HydrophobicContact CG-CG1 4.44Å; F803-V808 HydrophobicContact CZ-CG1 3.99Å
809C86.6Confident89.5Confident19 Ų1941 Ų4113%0.12820%0.197CC..EExtended strand (participates in β ladder)trans-136.2155.1-173.3-57.10000111.5L315 K316 V801 I802 S811L315-C809 HydrophobicContact CB-CB 3.61Å; L315-C809 HydrophobicContact CD1-CB 3.88Å; L315-C809 HydrophobicContact CG-CB 4.45Å; K316-C809 WeakPolarHBondContact O-CA 3.02Å; V801-C809 CarbonylContact C-O 3.56Å; V801-C809 WeakPolarHBondContact CA-O 3.4Å; V801-C809 WeakPolarHBondContact CG1-O 2.92Å; I802-C809 HydrophobicContact CG2-CB 3.83Å; I802-C809 WeakPolarHBondContact CG2-O 3.12Å; I802-C809 PolarHBondContact N-O 3.05Å; I802-C809 PolarHBondContact O-N 3.44Å; I802-C809 VanDerWaalsContact O-N 3.09Å; C809-S811 PolarHBondContact O-N 2.7Å
810A88.9Confident89.7Confident7 Ų736.5 Ų36.56%0.05818%0.175CC..EExtended strand (participates in β ladder)trans-65.7125.1166.200000109.5L315 K316 L318L315-A810 WeakPolarHBondContact CD2-O 3.23Å; K316-A810 HydrophobicContact CB-CB 4.42Å; K316-A810 PolarHBondContact O-N 3.04Å; L318-A810 HydrophobicContact CD1-CB 4.05Å; L318-A810 HydrophobicContact CD2-CB 4.36Å; L318-A810 HydrophobicContact CG-CB 4.29Å
811S89.3Confident89.8Confident7 Ų735.1 Ų35.15%0.04917%0.17CC..EExtended strand (participates in β ladder)trans-93126.4173159.80000108.6E310 W800 C809 P814E310-S811 WeakPolarHBondContact OE1-CB 3.25Å; E310-S811 PolarHBondContact OE1-OG 3.4Å; W800-S811 PolarHBondContact O-N 3.33Å; C809-S811 PolarHBondContact O-N 2.7Å; S811-P814 WeakPolarHBondContact OG-CA 3.25Å
812E85.9Confident89.9Confident151 Ų15135 Ų3571%0.70617%0.169SC*.SBendtrans-92-37179.7-66.1-167.5168.200111.3E310E310-E812 PolarHBondContact OE2-N 2.9Å
813K86.4Confident90.2Very high169 Ų16934.8 Ų34.874%0.73517%0.168SC*.SBendtrans-131.274.1-177.3-66.9-175.9-175.7174.50110E310E310-K813 PolarHBondContact OE1-N 3.25Å; E310-K813 PolarHBondContact OE2-N 3.01Å
814P88.8Confident90.4Very high24 Ų2434.6 Ų34.616%0.15617%0.167CC..  trans-59.2130.8-176.325.3-36.1000110.4F777 W800 S811 K816F777-P814 HydrophobicContact CE1-CB 4.13Å; F777-P814 HydrophobicContact CZ-CB 3.99Å; W800-P814 HydrophobicContact CB-CB 4.34Å; W800-P814 HydrophobicContact CB-CG 4.2Å; W800-P814 HydrophobicContact CD2-CB 4.17Å; W800-P814 HydrophobicContact CD2-CG 4.05Å; W800-P814 HydrophobicContact CE3-CB 4.49Å; W800-P814 HydrophobicContact CG-CB 4.11Å; W800-P814 HydrophobicContact CG-CG 3.72Å; S811-P814 WeakPolarHBondContact OG-CA 3.25Å; P814-K816 HydrophobicContact CB-CG 4.23Å; P814-K816 HydrophobicContact CG-CD 4.48Å; P814-K816 HydrophobicContact CG-CG 4.24Å; P814-K816 PolarHBondContact O-N 3.21Å
815P89.4Confident90.9Very high6 Ų639.1 Ų39.14%0.03918%0.182CC..  trans-77.562-178.236.2-41.8000110.8V307 I308 F777 D817 L818V307-P815 HydrophobicContact CG1-CB 4.49Å; I308-P815 HydrophobicContact CB-CG 4.37Å; I308-P815 HydrophobicContact CG1-CB 4.31Å; I308-P815 HydrophobicContact CG1-CG 4.28Å; I308-P815 HydrophobicContact CG2-CG 4.27Å; F777-P815 HydrophobicContact CE2-CG 4.2Å; F777-P815 HydrophobicContact CZ-CG 4.32Å; P815-D817 PolarHBondContact O-N 3.34Å; P815-D817 VanDerWaalsContact O-N 3.07Å; P815-L818 HydrophobicContact CB-CD1 4.34Å; P815-L818 PolarHBondContact O-N 3.34Å; P815-L818 VanDerWaalsContact O-N 3.13Å
816K92.4Very high91.3Very high45 Ų4540.8 Ų40.820%0.19619%0.187CC..THydrogen-bonded Turntrans-60.9-17.9-175.6-65.7-176-61.1-179.60112.9D589 L774 F777 W800 P814 Y822D589-K816 IonicContact OD1-NZ 3.17Å; D589-K816 PolarHBondContact OD1-NZ 3.42Å; D589-K816 IonicContact OD2-NZ 3.04Å; D589-K816 PolarHBondContact OD2-NZ 3.19Å; L774-K816 HydrophobicContact CD2-CD 3.94Å; L774-K816 HydrophobicContact CD2-CG 4.38Å; F777-K816 HydrophobicContact CD1-CG 4.49Å; F777-K816 HydrophobicContact CE1-CG 3.77Å; F777-K816 HydrophobicContact CZ-CG 4.16Å; W800-K816 HydrophobicContact CZ2-CD 4.35Å; P814-K816 HydrophobicContact CB-CG 4.23Å; P814-K816 HydrophobicContact CG-CD 4.48Å; P814-K816 HydrophobicContact CG-CG 4.24Å; P814-K816 PolarHBondContact O-N 3.21Å; K816-Y822 WeakPolarHBondContact O-CE1 3.44Å; K816-Y822 PolarHBondContact O-OH 3.35Å
817D91Very high91.8Very high51 Ų5140.4 Ų40.427%0.27319%0.19SC..THydrogen-bonded Turntrans-87.1-12.8-178.965.8-52.6000114.3S584 I585 P815S584-D817 WeakPolarHBondContact OG-CB 3.46Å; S584-D817 PolarHBondContact OG-OD2 3.33Å; I585-D817 PolarHBondContact N-O 3.42Å; I585-D817 WeakPolarHBondContact O-CA 3.45Å; P815-D817 PolarHBondContact O-N 3.34Å; P815-D817 VanDerWaalsContact O-N 3.07Å
818L90.4Very high91.5Very high10 Ų1039.6 Ų39.65%0.05220%0.203CC..SBendtrans-108.5-0.1-175.9-57.4179.9000113.6V307 I308 K569 P815V307-L818 HydrophobicContact CG1-CD1 4.08Å; I308-L818 HydrophobicContact CD1-CB 4.28Å; I308-L818 HydrophobicContact CD1-CD1 4.08Å; I308-L818 HydrophobicContact CG1-CB 4.41Å; I308-L818 HydrophobicContact CG1-CD1 3.82Å; K569-L818 PolarHBondContact NZ-O 2.95Å; P815-L818 HydrophobicContact CB-CD1 4.34Å; P815-L818 PolarHBondContact O-N 3.34Å; P815-L818 VanDerWaalsContact O-N 3.13Å
819G92.3Very high89.9Confident2 Ų248.1 Ų48.12%0.02125%0.249CC..  trans-60157.6178.100000113.4K569 Y822K569-G819 VanDerWaalsContact NZ-C 3.34Å; K569-G819 PolarHBondContact NZ-O 3.13Å; G819-Y822 VanDerWaalsContact CA-CZ 3.46Å; G819-Y822 WeakPolarHBondContact CA-OH 3.43Å; G819-Y822 PolarHBondContact N-OH 3.12Å; G819-Y822 PolarHBondContact O-OH 3.01Å
820Y95.1Very high90.1Very high4 Ų449.6 Ų49.62%0.01626%0.255CS..SBendtrans-109.7-51.5178.3171.4-138.2000111.6D433 Q435 Q566 I567 F570 I778 Y790D433-Y820 PolarHBondContact OD1-OH 3.2Å; D433-Y820 WeakPolarHBondContact OD2-CE1 3.29Å; D433-Y820 PolarHBondContact OD2-OH 3.05Å; Q435-Y820 HydrophobicContact CB-CE1 4.31Å; Q566-Y820 HydrophobicContact CG-CD2 4.44Å; Q566-Y820 HydrophobicContact CG-CE2 3.7Å; Q566-Y820 PolarHBondContact NE2-OH 2.76Å; I567-Y820 PolarHBondContact N-O 2.81Å; F570-Y820 HydrophobicContact CD2-CE2 4.29Å; F570-Y820 HydrophobicContact CE2-CD2 4.19Å; F570-Y820 AromaticContact CE2-CE2 3.62Å; F570-Y820 HydrophobicContact CE2-CE2 3.62Å; F570-Y820 AromaticContact CE2-CZ 3.81Å; I778-Y820 WeakPolarHBondContact O-CA 3.39Å; I778-Y820 WeakPolarHBondContact O-CB 3.19Å; I778-Y820 PolarHBondContact O-N 3.04Å; Y790-Y820 AromaticContact CE1-CD1 3.92Å; Y790-Y820 HydrophobicContact CE1-CD1 3.92Å; Y790-Y820 HydrophobicContact CE1-CE1 4.43Å
821L97.8Very high90.1Very high0 Ų051.8 Ų51.80%027%0.265CS..EExtended strand (participates in β ladder)trans-112.1130.3173-63.5173.3000109.2A434 Q435 L438 I565 Q566 F777 I778 F823A434-L821 HydrophobicContact CB-CD1 4.03Å; Q435-L821 HydrophobicContact CB-CD1 4.19Å; Q435-L821 HydrophobicContact CB-CD2 4.02Å; Q435-L821 HydrophobicContact CG-CD2 4.21Å; L438-L821 HydrophobicContact CD2-CD1 4.5Å; I565-L821 CarbonylContact O-C 3.58Å; I565-L821 WeakPolarHBondContact O-CA 3.26Å; Q566-L821 HydrophobicContact CB-CD2 3.67Å; Q566-L821 HydrophobicContact CG-CD2 3.89Å; F777-L821 CarbonylContact C-O 3.54Å; F777-L821 WeakPolarHBondContact CA-O 3.23Å; F777-L821 WeakPolarHBondContact CB-O 3.27Å; I778-L821 HydrophobicContact CB-CB 4.21Å; I778-L821 HydrophobicContact CD1-CD1 4.24Å; I778-L821 PolarHBondContact N-O 3.4Å; I778-L821 PolarHBondContact O-N 3.22Å; I778-L821 VanDerWaalsContact O-N 3.12Å; L821-F823 HydrophobicContact CB-CE2 3.87Å; L821-F823 HydrophobicContact CB-CZ 4.4Å
822Y98.3Very high90.2Very high2 Ų254.3 Ų54.31%0.00828%0.277CS..EExtended strand (participates in β ladder)trans-116.5140.2178-63.9-95.1000110V564 I565 I567 V587 L774 F777 K816 G819V564-Y822 CarbonylContact C-O 3.52Å; V564-Y822 WeakPolarHBondContact CA-O 3.36Å; I565-Y822 PolarHBondContact N-O 3.23Å; I565-Y822 PolarHBondContact O-N 3.05Å; I567-Y822 HydrophobicContact CD1-CD2 4.21Å; I567-Y822 HydrophobicContact CD1-CE2 4.02Å; I567-Y822 HydrophobicContact CG1-CD2 3.93Å; I567-Y822 HydrophobicContact CG1-CE2 3.49Å; I567-Y822 VanDerWaalsContact CG1-CE2 3.49Å; V587-Y822 HydrophobicContact CB-CD1 4.23Å; V587-Y822 HydrophobicContact CB-CE1 3.82Å; V587-Y822 HydrophobicContact CG1-CD1 3.71Å; V587-Y822 HydrophobicContact CG1-CE1 3.84Å; V587-Y822 HydrophobicContact CG1-CG 4.23Å; V587-Y822 HydrophobicContact CG2-CD1 4.24Å; V587-Y822 HydrophobicContact CG2-CD2 4.49Å; V587-Y822 HydrophobicContact CG2-CE1 3.68Å; V587-Y822 HydrophobicContact CG2-CE2 3.97Å; V587-Y822 VanDerWaalsContact CG2-CZ 3.5Å; L774-Y822 HydrophobicContact CD1-CD1 4.01Å; F777-Y822 HydrophobicContact CB-CD1 3.54Å; F777-Y822 HydrophobicContact CB-CE1 3.87Å; F777-Y822 HydrophobicContact CB-CG 4.17Å; F777-Y822 HydrophobicContact CG-CD1 4.26Å; F777-Y822 HydrophobicContact CG-CE1 4.18Å; K816-Y822 WeakPolarHBondContact O-CE1 3.44Å; K816-Y822 PolarHBondContact O-OH 3.35Å; G819-Y822 VanDerWaalsContact CA-CZ 3.46Å; G819-Y822 WeakPolarHBondContact CA-OH 3.43Å; G819-Y822 PolarHBondContact N-OH 3.12Å; G819-Y822 PolarHBondContact O-OH 3.01Å
823F98.4Very high90.4Very high1 Ų148.6 Ų48.60%0.00425%0.252CS..EExtended strand (participates in β ladder)trans-123119.8-177.8-61.2-102.1000109.4V341 L438 F459 L563 V564 F775 A776 I778 L821V341-F823 HydrophobicContact CB-CE2 4.49Å; V341-F823 HydrophobicContact CG1-CB 4.29Å; V341-F823 HydrophobicContact CG1-CD1 3.7Å; V341-F823 HydrophobicContact CG1-CD2 3.73Å; V341-F823 HydrophobicContact CG1-CE1 3.86Å; V341-F823 HydrophobicContact CG1-CE2 3.89Å; V341-F823 HydrophobicContact CG1-CG 3.64Å; V341-F823 HydrophobicContact CG1-CZ 3.94Å; V341-F823 HydrophobicContact CG2-CE2 4.46Å; L438-F823 HydrophobicContact CD2-CE1 4.15Å; L438-F823 HydrophobicContact CD2-CZ 4.04Å; F459-F823 HydrophobicContact CE1-CD1 4.41Å; L563-F823 WeakPolarHBondContact O-CA 3.43Å; V564-F823 HydrophobicContact CB-CE1 4.47Å; V564-F823 HydrophobicContact CG1-CD1 4.26Å; V564-F823 HydrophobicContact CG1-CE1 3.9Å; V564-F823 HydrophobicContact CG1-CZ 4.14Å; V564-F823 HydrophobicContact CG2-CD1 3.77Å; V564-F823 HydrophobicContact CG2-CE1 3.76Å; F775-F823 HydrophobicContact CD1-CB 4.2Å; F775-F823 WeakPolarHBondContact CD1-O 3.49Å; F775-F823 VanDerWaalsContact CE1-C 3.48Å; F775-F823 HydrophobicContact CE1-CB 3.45Å; F775-F823 VanDerWaalsContact CE1-CB 3.45Å; F775-F823 WeakPolarHBondContact CE1-O 3.03Å; F775-F823 HydrophobicContact CE2-CB 4.31Å; F775-F823 HydrophobicContact CZ-CB 3.52Å; F775-F823 HydrophobicContact CZ-CG 4.4Å; F775-F823 PolarHBondContact N-O 3.15Å; A776-F823 HydrophobicContact CB-CB 4.15Å; A776-F823 HydrophobicContact CB-CD2 4.47Å; A776-F823 PolarHBondContact N-O 2.77Å; A776-F823 PolarHBondContact O-N 3.08Å; I778-F823 HydrophobicContact CD1-CE2 3.77Å; I778-F823 HydrophobicContact CD1-CZ 4.07Å; I778-F823 HydrophobicContact CG1-CE2 3.97Å; L821-F823 HydrophobicContact CB-CE2 3.87Å; L821-F823 HydrophobicContact CB-CZ 4.4Å
824Y97.9Very high90.7Very high0 Ų041.1 Ų41.10%022%0.222CC..EExtended strand (participates in β ladder)trans-114.4134.2-175.2-86.1-84.3000109.1H562 L563 I565 V587 P588 L591 E773 L774H562-Y824 CarbonylContact C-O 3.57Å; H562-Y824 WeakPolarHBondContact CA-O 3.31Å; L563-Y824 PolarHBondContact N-O 2.95Å; L563-Y824 PolarHBondContact O-N 2.99Å; I565-Y824 HydrophobicContact CD1-CD2 3.96Å; I565-Y824 HydrophobicContact CD1-CE2 3.87Å; I565-Y824 HydrophobicContact CG1-CD2 4.41Å; V587-Y824 HydrophobicContact CG1-CE2 4.27Å; V587-Y824 WeakPolarHBondContact CG1-OH 3.36Å; P588-Y824 WeakPolarHBondContact O-CE1 3.49Å; P588-Y824 PolarHBondContact O-OH 3.35Å; L591-Y824 HydrophobicContact CB-CD1 4.01Å; L591-Y824 HydrophobicContact CB-CE1 3.66Å; L591-Y824 HydrophobicContact CD2-CD1 4.4Å; L591-Y824 HydrophobicContact CD2-CD2 4.37Å; L591-Y824 HydrophobicContact CD2-CE1 4.24Å; L591-Y824 HydrophobicContact CD2-CE2 4.2Å; L591-Y824 HydrophobicContact CD2-CG 4.44Å; E773-Y824 CarbonylContact O-C 3.56Å; E773-Y824 WeakPolarHBondContact O-CA 3.41Å; L774-Y824 HydrophobicContact CB-CD1 4.1Å; L774-Y824 HydrophobicContact CB-CE1 3.67Å; L774-Y824 HydrophobicContact CD1-CD2 4.21Å; L774-Y824 HydrophobicContact CD1-CE1 4.26Å; L774-Y824 HydrophobicContact CD1-CE2 3.88Å
825R96.7Very high90.8Very high117 Ų11742.3 Ų42.344%0.44223%0.226SC..EExtended strand (participates in β ladder)trans-104.3132.5176.3179.8179.563.1-168.5-3.5109.1Y772 E773 F775 V827Y772-R825 CarbonylContact C-O 3.56Å; Y772-R825 VanDerWaalsContact CA-O 3.3Å; Y772-R825 WeakPolarHBondContact CA-O 3.14Å; E773-R825 PolarHBondContact N-O 3.27Å; E773-R825 PolarHBondContact O-N 2.8Å; E773-R825 IonicContact OE2-NH2 3.95Å; F775-R825 HydrophobicContact CD1-CB 3.74Å; F775-R825 HydrophobicContact CE1-CB 4.27Å; F775-R825 HydrophobicContact CG-CB 4.45Å; R825-V827 PolarHBondContact O-N 3.46Å
826R96.4Very high90.9Very high56 Ų5644.9 Ų44.921%0.21124%0.239CC..EExtended strand (participates in β ladder)trans-63.1132178.5-167.1169.766.6-134.5-5.6110.2F559 P560 D561 P769 K771 Y772F559-R826 PolarHBondContact O-NH1 2.98Å; P560-R826 PolarHBondContact O-NH1 2.85Å; P560-R826 VanDerWaalsContact O-NH1 3.12Å; D561-R826 VanDerWaalsContact CG-NH2 3.31Å; D561-R826 WeakPolarHBondContact O-CB 3.42Å; D561-R826 PolarHBondContact O-N 3.3Å; D561-R826 IonicContact OD1-CZ 2.81Å; D561-R826 IonicContact OD1-NH1 3.86Å; D561-R826 PolarHBondContact OD1-NH1 3.1Å; D561-R826 IonicContact OD1-NH2 2.84Å; D561-R826 PolarHBondContact OD1-NH2 3.05Å; D561-R826 IonicContact OD2-NH2 3.23Å; P769-R826 HydrophobicContact CG-CG 4.38Å; P769-R826 WeakPolarHBondContact O-CD 3.41Å; P769-R826 WeakPolarHBondContact O-CG 3.5Å; K771-R826 WeakPolarHBondContact O-CA 3.3Å; Y772-R826 HydrophobicContact CD1-CB 4.04Å; Y772-R826 HydrophobicContact CE1-CB 3.91Å; Y772-R826 HydrophobicContact CE1-CG 4.35Å
827V92.9Very high90.8Very high65 Ų6544.8 Ų44.839%0.39424%0.243SC..PPolyproline II helixtrans-79129176-175.60000107.6K771 E773 R825K771-V827 PolarHBondContact O-N 3.26Å; E773-V827 HydrophobicContact CB-CG2 4.12Å; R825-V827 PolarHBondContact O-N 3.46Å
828A78.2Confident90.8Very high91 Ų9144.3 Ų44.375%0.75224%0.24SC*.PPolyproline II helixtrans-71.4134.5170.600000108.9
829D55.2Low90.8Very high184 Ų18447.5 Ų47.598%0.98426%0.257SS*.  trans-62.50176.8-77.9-39.9000112.9

Retrieved 829 of 829 residues in 422 ms (Link to these results)

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