A0A3Q0KU31_SCHMA Loading...

Serine/threonine-protein

AlphaFold DB , UniProt , Accession A0A3Q0KU31, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 822 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
1M55.6Low83.3Confident127 Ų12787.5 Ų87.563%0.62647%0.472SS*.  0130.80-67.7-54.5-175.200107.5L3 G140 P174 F200M1-L3 PolarHBondContact O-N 3.5Å; M1-G140 VanDerWaalsContact SD-CA 3.59Å; M1-P174 HydrophobicContact CG-CG 4.48Å; M1-F200 HydrophobicContact CE-CE2 3.83Å; M1-F200 HydrophobicContact CE-CZ 3.56Å
2P61.6Low83.9Confident68 Ų6894.9 Ų94.944%0.44250%0.501SS..  trans-54.5134.9166.1-18.932.9000108.3L4 G138 L139P2-L4 PolarHBondContact O-N 3.45Å; P2-L4 VanDerWaalsContact O-N 3.13Å; P2-G138 WeakPolarHBondContact CD-O 3.5Å; P2-L139 HydrophobicContact CB-CD2 4.19Å; P2-L139 HydrophobicContact CG-CD2 3.96Å
3L70.7Confident84.3Confident168 Ų16890.7 Ų90.788%0.8849%0.494SS*.  trans-69.5109.1167.2-77.9161.7000106.2M1 S5M1-L3 PolarHBondContact O-N 3.5Å; L3-S5 PolarHBondContact O-N 3.27Å
4L85.7Confident84.8Confident34 Ų3488.5 Ų88.518%0.17849%0.488CS..  trans-59.3121.4169.6-58-178.5000107.2P2 F72 N76 L139 I141 V171P2-L4 PolarHBondContact O-N 3.45Å; P2-L4 VanDerWaalsContact O-N 3.13Å; L4-F72 HydrophobicContact CB-CE1 3.87Å; L4-F72 HydrophobicContact CB-CZ 3.74Å; L4-F72 HydrophobicContact CD1-CE1 3.91Å; L4-N76 HydrophobicContact CD2-CB 3.94Å; L4-L139 HydrophobicContact CD2-CB 4.11Å; L4-L139 HydrophobicContact CD2-CD2 4.35Å; L4-I141 HydrophobicContact CD1-CD1 4.17Å; L4-I141 HydrophobicContact CD1-CG1 4.27Å; L4-I141 HydrophobicContact CD2-CD1 4.4Å; L4-V171 HydrophobicContact CD1-CB 4.48Å; L4-V171 HydrophobicContact CD1-CG1 4.1Å; L4-V171 HydrophobicContact CD1-CG2 3.5Å; L4-V171 VanDerWaalsContact CD1-CG2 3.5Å
5S86.7Confident85.4Confident103 Ų10382.8 Ų82.872%0.7246%0.456SS*.  trans-131.5-8.6-170.767.30000113.1L3 E7 N76L3-S5 PolarHBondContact O-N 3.27Å; S5-E7 PolarHBondContact O-N 3.49Å; S5-N76 PolarHBondContact N-OD1 3.19Å
6Q89.1Confident85.9Confident111 Ų11182.4 Ų82.452%0.51945%0.45SS..  trans-83.4108.3-179-171.9165.7-17.900108.9A75 N76Q6-A75 HydrophobicContact CG-CB 4.49Å; Q6-A75 WeakPolarHBondContact CG-O 3.36Å; Q6-A75 PolarHBondContact NE2-O 3.39Å; Q6-A75 VanDerWaalsContact NE2-O 3.16Å; Q6-A75 PolarHBondContact OE1-O 2.93Å; Q6-N76 WeakPolarHBondContact CB-OD1 3.33Å; Q6-N76 PolarHBondContact N-OD1 3.34Å; Q6-N76 PolarHBondContact O-ND2 2.64Å
7E92.2Very high86.4Confident136 Ų13684.4 Ų84.464%0.63646%0.46SS*.  trans-71.6145.4169-67.2-61.9152.200109.9S5S5-E7 PolarHBondContact O-N 3.49Å
8P92.9Very high86.9Confident18 Ų1883.3 Ų83.312%0.11745%0.453CS..  trans-61.6141.6174.625.3-32.1000110.7V10 A71 A75 L85 V88P8-V10 HydrophobicContact CG-CG2 4.45Å; P8-V10 PolarHBondContact O-N 2.95Å; P8-A71 HydrophobicContact CB-CB 4.33Å; P8-A71 HydrophobicContact CG-CB 4.39Å; P8-A75 HydrophobicContact CB-CB 4.02Å; P8-L85 HydrophobicContact CB-CD2 4.27Å; P8-V88 HydrophobicContact CB-CG2 3.89Å
9L94.3Very high87.5Confident113 Ų11379.2 Ų79.259%0.59243%0.431SS*.  trans-71.397.2173.9178.958000109.3E87 V88L9-E87 HydrophobicContact CD2-CG 3.79Å; L9-E87 HydrophobicContact CG-CG 4.15Å; L9-E87 CarbonylContact O-C 3.55Å; L9-E87 WeakPolarHBondContact O-CA 3.42Å; L9-V88 PolarHBondContact O-N 2.91Å
10V94.2Very high88Confident46 Ų4679.2 Ų79.228%0.27943%0.43SS..EExtended strand (participates in β ladder)trans-85.4121.2178-177.10000109.9P8 V88 Y90P8-V10 HydrophobicContact CG-CG2 4.45Å; P8-V10 PolarHBondContact O-N 2.95Å; V10-V88 WeakPolarHBondContact CA-O 3.35Å; V10-Y90 HydrophobicContact CB-CE2 4.44Å; V10-Y90 HydrophobicContact CG1-CD2 3.63Å; V10-Y90 HydrophobicContact CG1-CE2 3.69Å; V10-Y90 HydrophobicContact CG2-CE2 3.86Å
11N93.4Very high88.3Confident38 Ų3877.7 Ų77.720%0.20342%0.421CS..EExtended strand (participates in β ladder)trans-100.7122.7175.4-164.1-37.4000110.2G13 L18 E87 V88 F89N11-G13 PolarHBondContact OD1-N 3.27Å; N11-L18 WeakPolarHBondContact ND2-CD1 3.26Å; N11-E87 PolarHBondContact ND2-OE2 2.81Å; N11-V88 PolarHBondContact N-O 3.1Å; N11-F89 HydrophobicContact CB-CD1 3.96Å; N11-F89 HydrophobicContact CB-CE1 3.5Å; N11-F89 HydrophobicContact CB-CE2 4.12Å; N11-F89 HydrophobicContact CB-CG 4.46Å; N11-F89 HydrophobicContact CB-CZ 3.58Å; N11-F89 VanDerWaalsContact CG-CE1 3.48Å
12H90.2Very high90.2Very high177 Ų17775.1 Ų75.182%0.81941%0.408SS*.  trans-90.8-3-179-59.2-61.8000113.5
13G88.9Confident91.7Very high40 Ų4075.9 Ų75.941%0.41241%0.406SS..SBendtrans-74.6170174.400000112.6N11 L15N11-G13 PolarHBondContact OD1-N 3.27Å; G13-L15 PolarHBondContact O-N 3.32Å
14C91.3Very high92.7Very high60 Ų6071.8 Ų71.841%0.40538%0.38SS..  trans-69.7129.3169.9-166.30000109E16 D17C14-E16 PolarHBondContact O-N 2.85Å; C14-E16 PolarHBondContact SG-OE2 3.28Å; C14-D17 HydrophobicContact CB-CB 4.26Å; C14-D17 VanDerWaalsContact CB-OD2 3.25Å; C14-D17 WeakPolarHBondContact CB-OD2 3.46Å; C14-D17 WeakPolarHBondContact O-CB 3.46Å; C14-D17 PolarHBondContact O-N 2.77Å
15L93.7Very high93Very high3 Ų371.3 Ų71.32%0.01638%0.378CS..Hα-helixtrans-57.6-40.7178.6172.270.7000110.8G13 D17 L18 Y19 I21 F49 F89 R91 V96 I98G13-L15 PolarHBondContact O-N 3.32Å; L15-D17 PolarHBondContact O-N 3.36Å; L15-L18 PolarHBondContact O-N 3.24Å; L15-L18 VanDerWaalsContact O-N 3.1Å; L15-Y19 HydrophobicContact CD1-CD2 3.63Å; L15-Y19 HydrophobicContact CD1-CE2 4.42Å; L15-Y19 HydrophobicContact CD1-CG 4.08Å; L15-Y19 PolarHBondContact O-N 2.84Å; L15-I21 HydrophobicContact CD2-CD1 3.76Å; L15-I21 HydrophobicContact CD2-CG1 4.3Å; L15-I21 HydrophobicContact CG-CD1 4.1Å; L15-F49 HydrophobicContact CD2-CE1 3.88Å; L15-F49 HydrophobicContact CD2-CZ 3.82Å; L15-F89 HydrophobicContact CB-CD1 3.92Å; L15-F89 HydrophobicContact CB-CE1 4.2Å; L15-F89 HydrophobicContact CB-CG 4.15Å; L15-F89 HydrophobicContact CD1-CD1 4.26Å; L15-F89 HydrophobicContact CD1-CD2 3.6Å; L15-F89 HydrophobicContact CD1-CE1 4.2Å; L15-F89 HydrophobicContact CD1-CE2 3.56Å; L15-F89 HydrophobicContact CD1-CG 3.97Å; L15-F89 HydrophobicContact CD1-CZ 3.87Å; L15-R91 VanDerWaalsContact CB-NH2 3.32Å; L15-V96 HydrophobicContact CD2-CB 4.35Å; L15-V96 HydrophobicContact CD2-CG1 3.93Å; L15-V96 HydrophobicContact CD2-CG2 4.25Å; L15-I98 HydrophobicContact CD1-CD1 3.79Å; L15-I98 HydrophobicContact CD1-CG1 4.47Å
16E94.6Very high92.8Very high77 Ų7766.8 Ų66.836%0.3635%0.347SS..Hα-helixtrans-62.8-21.9178.5-7277.4-176.900112.7C14 L18 K39 R91C14-E16 PolarHBondContact O-N 2.85Å; C14-E16 PolarHBondContact SG-OE2 3.28Å; E16-L18 VanDerWaalsContact C-N 3.34Å; E16-K39 WeakPolarHBondContact O-CE 3.26Å; E16-K39 PolarHBondContact O-NZ 3.32Å; E16-R91 IonicContact OE1-CZ 3.19Å; E16-R91 IonicContact OE1-NH1 2.94Å; E16-R91 PolarHBondContact OE1-NH1 3.31Å; E16-R91 IonicContact OE1-NH2 2.62Å; E16-R91 PolarHBondContact OE1-NH2 2.99Å; E16-R91 IonicContact OE2-CZ 3.52Å; E16-R91 IonicContact OE2-NH1 3.92Å; E16-R91 IonicContact OE2-NH2 2.77Å; E16-R91 PolarHBondContact OE2-NH2 2.82Å
17D94.6Very high92.4Very high116 Ų11666 Ų6662%0.6235%0.346SS*.Hα-helixtrans-75.7-27.7176.9-66.9-19.2000111.8C14 L15 K39C14-D17 HydrophobicContact CB-CB 4.26Å; C14-D17 VanDerWaalsContact CB-OD2 3.25Å; C14-D17 WeakPolarHBondContact CB-OD2 3.46Å; C14-D17 WeakPolarHBondContact O-CB 3.46Å; C14-D17 PolarHBondContact O-N 2.77Å; L15-D17 PolarHBondContact O-N 3.36Å; D17-K39 WeakPolarHBondContact O-CD 3.16Å
18L95.4Very high91.4Very high64 Ų6461 Ų6134%0.33533%0.331SS..Hα-helixtrans-106.5-28.9-173.6-64176.5000113.2N11 L15 E16 K39 F89N11-L18 WeakPolarHBondContact ND2-CD1 3.26Å; L15-L18 PolarHBondContact O-N 3.24Å; L15-L18 VanDerWaalsContact O-N 3.1Å; E16-L18 VanDerWaalsContact C-N 3.34Å; L18-K39 WeakPolarHBondContact O-CB 3.15Å; L18-K39 PolarHBondContact O-N 3.15Å; L18-F89 HydrophobicContact CD1-CE1 4.14Å; L18-F89 HydrophobicContact CD1-CZ 3.98Å
19Y97.2Very high90.1Very high6 Ų666.2 Ų66.22%0.02435%0.354CS..EExtended strand (participates in β ladder)trans-128.1136.9-175-66-94000110.9L15 C36 V37 C38 Y45 E87 F89 I98L15-Y19 HydrophobicContact CD1-CD2 3.63Å; L15-Y19 HydrophobicContact CD1-CE2 4.42Å; L15-Y19 HydrophobicContact CD1-CG 4.08Å; L15-Y19 PolarHBondContact O-N 2.84Å; Y19-C36 HydrophobicContact CD1-CB 4.48Å; Y19-V37 CarbonylContact C-O 3.57Å; Y19-V37 WeakPolarHBondContact CA-O 3.24Å; Y19-C38 HydrophobicContact CD1-CB 3.99Å; Y19-C38 HydrophobicContact CE1-CB 3.67Å; Y19-Y45 HydrophobicContact CD1-CD2 4.42Å; Y19-Y45 AromaticContact CE1-CD2 3.74Å; Y19-Y45 HydrophobicContact CE1-CD2 3.74Å; Y19-Y45 HydrophobicContact CE1-CE2 4.15Å; Y19-Y45 HydrophobicContact CE1-CG 4.46Å; Y19-E87 PolarHBondContact OH-OE1 2.88Å; Y19-F89 HydrophobicContact CD2-CE2 4.32Å; Y19-F89 HydrophobicContact CD2-CZ 4.17Å; Y19-F89 AromaticContact CE2-CE2 3.94Å; Y19-F89 HydrophobicContact CE2-CE2 3.94Å; Y19-F89 AromaticContact CE2-CZ 3.89Å; Y19-F89 HydrophobicContact CE2-CZ 3.89Å; Y19-I98 HydrophobicContact CE1-CG2 3.93Å; Y19-I98 HydrophobicContact CE2-CG1 4.44Å
20D97Very high89Confident78 Ų7863.8 Ų63.842%0.41734%0.339SS..EExtended strand (participates in β ladder)trans-87.2111165.218041.5000108.6Q22 C36 V37D20-Q22 PolarHBondContact OD2-NE2 2.82Å; D20-Q22 VanDerWaalsContact OD2-NE2 3.07Å; D20-C36 CarbonylContact O-C 3.58Å; D20-C36 WeakPolarHBondContact O-CA 3.35Å; D20-V37 HydrophobicContact CB-CB 4.47Å; D20-V37 PolarHBondContact N-O 2.66Å; D20-V37 PolarHBondContact O-N 2.92Å
21I96.2Very high88.6Confident48 Ų4862.1 Ų62.125%0.24633%0.33CS..EExtended strand (participates in β ladder)trans-84.5122-179.4-51.8-56.2000108.8L15 N34 C36 A47 F49L15-I21 HydrophobicContact CD2-CD1 3.76Å; L15-I21 HydrophobicContact CD2-CG1 4.3Å; L15-I21 HydrophobicContact CG-CD1 4.1Å; I21-N34 HydrophobicContact CG2-CB 3.94Å; I21-C36 HydrophobicContact CD1-CB 3.61Å; I21-A47 HydrophobicContact CD1-CB 4.42Å; I21-F49 HydrophobicContact CD1-CZ 4.15Å; I21-F49 HydrophobicContact CG1-CZ 4.29Å; I21-F49 HydrophobicContact CG2-CE2 4.24Å; I21-F49 HydrophobicContact CG2-CZ 4.11Å
22Q94.9Very high88.4Confident73 Ų7361.8 Ų61.834%0.34133%0.328SS..EExtended strand (participates in β ladder)trans-109.4-154.7-174.9-56.8-169.4-17.400110.5D20 N34 L35 V37D20-Q22 PolarHBondContact OD2-NE2 2.82Å; D20-Q22 VanDerWaalsContact OD2-NE2 3.07Å; Q22-N34 PolarHBondContact O-ND2 3.36Å; Q22-L35 WeakPolarHBondContact CA-O 3.16Å; Q22-L35 HydrophobicContact CB-CB 4.23Å; Q22-L35 HydrophobicContact CB-CD2 4.33Å; Q22-L35 HydrophobicContact CB-CG 4.21Å; Q22-L35 WeakPolarHBondContact CB-O 3.29Å; Q22-L35 PolarHBondContact N-O 3.19Å; Q22-L35 VanDerWaalsContact OE1-CD2 3.28Å; Q22-V37 HydrophobicContact CG-CG2 4.5Å
23Q93Very high88.6Confident85 Ų8555 Ų5540%0.39730%0.299SS..EExtended strand (participates in β ladder)trans-55.2144.7-177.664.1-16879.900113.5I25 L35Q23-I25 HydrophobicContact CG-CG2 4.48Å; Q23-I25 PolarHBondContact O-N 3.42Å; Q23-L35 HydrophobicContact CG-CB 4.37Å; Q23-L35 HydrophobicContact CG-CD2 4.48Å; Q23-L35 PolarHBondContact O-N 3.42Å
24K91.5Very high88.9Confident81 Ų8154.5 Ų54.535%0.35229%0.287SS..EExtended strand (participates in β ladder)trans-62123.6167.2-169.5173.4-174.4173.90108.5G26 D27 D32 V33K24-G26 WeakPolarHBondContact CE-O 3.28Å; K24-G26 WeakPolarHBondContact CG-O 3.32Å; K24-D27 IonicContact NZ-OD1 3.42Å; K24-D27 PolarHBondContact NZ-OD1 3.39Å; K24-D27 IonicContact NZ-OD2 2.94Å; K24-D27 PolarHBondContact NZ-OD2 2.8Å; K24-D32 VanDerWaalsContact CE-OD1 3.26Å; K24-D32 WeakPolarHBondContact CE-OD1 3.45Å; K24-D32 IonicContact NZ-OD1 2.74Å; K24-D32 PolarHBondContact NZ-OD1 3.31Å; K24-D32 IonicContact NZ-OD2 3.2Å; K24-V33 CarbonylContact C-O 3.51Å
25I90.9Very high89.1Confident25 Ų2552.3 Ų52.313%0.12827%0.271CS..EExtended strand (participates in β ladder)trans-96.4-30.1174.458176.1000110.8Q23 V33 L35 A46 L101 L316Q23-I25 HydrophobicContact CG-CG2 4.48Å; Q23-I25 PolarHBondContact O-N 3.42Å; I25-V33 HydrophobicContact CD1-CG1 3.85Å; I25-V33 HydrophobicContact CG1-CB 4.14Å; I25-V33 HydrophobicContact CG1-CG1 3.74Å; I25-V33 VanDerWaalsContact CG1-O 3.29Å; I25-V33 WeakPolarHBondContact CG1-O 3.26Å; I25-V33 PolarHBondContact N-O 3.11Å; I25-L35 HydrophobicContact CG2-CB 3.88Å; I25-A46 HydrophobicContact CD1-CB 4.05Å; I25-L101 HydrophobicContact CD1-CD1 3.77Å; I25-L316 VanDerWaalsContact C-CD2 3.44Å; I25-L316 WeakPolarHBondContact O-CA 3.3Å; I25-L316 WeakPolarHBondContact O-CB 3.37Å; I25-L316 WeakPolarHBondContact O-CD2 3.35Å
26G83.1Confident89.3Confident7 Ų752.1 Ų52.17%0.07227%0.27CS..EExtended strand (participates in β ladder)trans-146.6152.8-179.200000116.1K24 V33K24-G26 WeakPolarHBondContact CE-O 3.28Å; K24-G26 WeakPolarHBondContact CG-O 3.32Å; G26-V33 PolarHBondContact N-O 3Å; G26-V33 PolarHBondContact O-N 2.81Å
27D80.7Confident89.4Confident94 Ų9449 Ų4950%0.50326%0.256SS..EExtended strand (participates in β ladder)trans-128108.2-179-158.4-11.2000108.9K24K24-D27 IonicContact NZ-OD1 3.42Å; K24-D27 PolarHBondContact NZ-OD1 3.39Å; K24-D27 IonicContact NZ-OD2 2.94Å; K24-D27 PolarHBondContact NZ-OD2 2.8Å
28G71.4Confident89.5Confident31 Ų3144 Ų4432%0.3223%0.23SC..  trans-109.2158.717500000110.6F30 A31G28-F30 PolarHBondContact O-N 3.18Å; G28-F30 VanDerWaalsContact O-N 3.1Å; G28-A31 CarbonylContact C-O 3.51Å; G28-A31 VanDerWaalsContact CA-O 3.27Å; G28-A31 WeakPolarHBondContact CA-O 3.26Å; G28-A31 PolarHBondContact N-O 2.95Å; G28-A31 PolarHBondContact O-N 3.32Å
29H66.2Low89.6Confident128 Ų12846.9 Ų46.959%0.59324%0.24SC*.SBendtrans-53.5-37.9-178.1-174.8-88.2000113.5R54 H60H29-R54 PolarHBondContact O-NH1 3.34Å; H29-H60 AromaticContact CE1-CD2 3.92Å
30F70.9Confident89.5Confident63 Ų6351.9 Ų51.928%0.27628%0.276SS..SBendtrans-111.5-8.8-178.2-56.5-76.3000114.4G28 H60G28-F30 PolarHBondContact O-N 3.18Å; G28-F30 VanDerWaalsContact O-N 3.1Å; F30-H60 HydrophobicContact CE1-CB 3.93Å; F30-H60 HydrophobicContact CZ-CB 3.72Å
31A84.7Confident89.4Confident10 Ų1051.3 Ų51.38%0.08328%0.278CS..EExtended strand (participates in β ladder)trans-148.2136.4-170.500000112.7G28 K48 F49 I50G28-A31 CarbonylContact C-O 3.51Å; G28-A31 VanDerWaalsContact CA-O 3.27Å; G28-A31 WeakPolarHBondContact CA-O 3.26Å; G28-A31 PolarHBondContact N-O 2.95Å; G28-A31 PolarHBondContact O-N 3.32Å; A31-K48 HydrophobicContact CB-CD 4.46Å; A31-K48 HydrophobicContact CB-CG 3.83Å; A31-F49 CarbonylContact C-O 3.57Å; A31-F49 WeakPolarHBondContact CA-O 3.16Å; A31-I50 HydrophobicContact CB-CG1 3.96Å
32D90.3Very high89.3Confident31 Ų3155.3 Ų55.317%0.16630%0.3CS..EExtended strand (participates in β ladder)trans-97.4135.9170.5-67.4-25.1000108.8K24 K48 F49K24-D32 VanDerWaalsContact CE-OD1 3.26Å; K24-D32 WeakPolarHBondContact CE-OD1 3.45Å; K24-D32 IonicContact NZ-OD1 2.74Å; K24-D32 PolarHBondContact NZ-OD1 3.31Å; K24-D32 IonicContact NZ-OD2 3.2Å; D32-K48 CarbonylContact O-C 3.58Å; D32-K48 WeakPolarHBondContact O-CA 3.39Å; D32-F49 PolarHBondContact N-O 3.1Å; D32-F49 PolarHBondContact O-N 3.25Å
33V93.5Very high89.4Confident35 Ų3556.7 Ų56.721%0.21231%0.305CS..EExtended strand (participates in β ladder)trans-112.4120.3177.8-169.90000108.9K24 I25 G26 A46 A47 K48K24-V33 CarbonylContact C-O 3.51Å; I25-V33 HydrophobicContact CD1-CG1 3.85Å; I25-V33 HydrophobicContact CG1-CB 4.14Å; I25-V33 HydrophobicContact CG1-CG1 3.74Å; I25-V33 VanDerWaalsContact CG1-O 3.29Å; I25-V33 WeakPolarHBondContact CG1-O 3.26Å; I25-V33 PolarHBondContact N-O 3.11Å; G26-V33 PolarHBondContact N-O 3Å; G26-V33 PolarHBondContact O-N 2.81Å; V33-A46 HydrophobicContact CG1-CB 3.99Å; V33-A47 CarbonylContact C-O 3.55Å; V33-A47 WeakPolarHBondContact CA-O 3.35Å; V33-K48 HydrophobicContact CG2-CB 4.32Å; V33-K48 HydrophobicContact CG2-CG 4.2Å
34N95.3Very high89.6Confident30 Ų3058.5 Ų58.516%0.1631%0.311CS..EExtended strand (participates in β ladder)trans-113.7148.3177.8-66.132.1000111.1I21 Q22 A46 A47 F49I21-N34 HydrophobicContact CG2-CB 3.94Å; Q22-N34 PolarHBondContact O-ND2 3.36Å; N34-A46 CarbonylContact O-C 3.54Å; N34-A46 WeakPolarHBondContact O-CA 3.48Å; N34-A47 PolarHBondContact N-O 2.85Å; N34-A47 PolarHBondContact O-N 2.76Å; N34-F49 HydrophobicContact CB-CE2 4.07Å
35L96.2Very high89.9Confident13 Ų1355.6 Ų55.67%0.06830%0.298CS..EExtended strand (participates in β ladder)trans-65.3136.7162.8174.563.1000108.5Q22 Q23 I25 K44 L101Q22-L35 WeakPolarHBondContact CA-O 3.16Å; Q22-L35 HydrophobicContact CB-CB 4.23Å; Q22-L35 HydrophobicContact CB-CD2 4.33Å; Q22-L35 HydrophobicContact CB-CG 4.21Å; Q22-L35 WeakPolarHBondContact CB-O 3.29Å; Q22-L35 PolarHBondContact N-O 3.19Å; Q22-L35 VanDerWaalsContact OE1-CD2 3.28Å; Q23-L35 HydrophobicContact CG-CB 4.37Å; Q23-L35 HydrophobicContact CG-CD2 4.48Å; Q23-L35 PolarHBondContact O-N 3.42Å; I25-L35 HydrophobicContact CG2-CB 3.88Å; L35-K44 HydrophobicContact CD1-CB 4.12Å; L35-K44 HydrophobicContact CD1-CD 4.37Å; L35-L101 HydrophobicContact CD1-CD1 3.8Å; L35-L101 HydrophobicContact CD1-CD2 3.52Å; L35-L101 HydrophobicContact CD1-CG 4.29Å
36C96.9Very high90.2Very high0 Ų054.8 Ų54.80%030%0.295CS..EExtended strand (participates in β ladder)trans-137.4156170.264.20000111.6Y19 D20 I21 K44 Y45 A47Y19-C36 HydrophobicContact CD1-CB 4.48Å; D20-C36 CarbonylContact O-C 3.58Å; D20-C36 WeakPolarHBondContact O-CA 3.35Å; I21-C36 HydrophobicContact CD1-CB 3.61Å; C36-K44 CarbonylContact O-C 3.43Å; C36-K44 WeakPolarHBondContact O-CA 3.32Å; C36-Y45 PolarHBondContact N-O 3.33Å; C36-Y45 PolarHBondContact O-N 2.86Å; C36-A47 HydrophobicContact CB-CB 4.29Å
37V97.6Very high90.8Very high12 Ų1254.4 Ų54.47%0.07329%0.292CS..EExtended strand (participates in β ladder)trans-123.5122.8179.7-1740000109Y19 D20 Q22 K39 N42 K44Y19-V37 CarbonylContact C-O 3.57Å; Y19-V37 WeakPolarHBondContact CA-O 3.24Å; D20-V37 HydrophobicContact CB-CB 4.47Å; D20-V37 PolarHBondContact N-O 2.66Å; D20-V37 PolarHBondContact O-N 2.92Å; Q22-V37 HydrophobicContact CG-CG2 4.5Å; V37-K39 PolarHBondContact O-N 3.38Å; V37-N42 WeakPolarHBondContact CG1-OD1 3.37Å; V37-K44 HydrophobicContact CG2-CG 4.16Å
38C97.1Very high91.5Very high11 Ų1151 Ų517%0.07427%0.272CS..EExtended strand (participates in β ladder)trans-67.2119175.31770000109.6Y19 S40 S41 N42 K43 Y45Y19-C38 HydrophobicContact CD1-CB 3.99Å; Y19-C38 HydrophobicContact CE1-CB 3.67Å; C38-S40 VanDerWaalsContact C-N 3.28Å; C38-S40 PolarHBondContact O-N 3.42Å; C38-S40 PolarHBondContact SG-OG 3.37Å; C38-S41 WeakPolarHBondContact CB-OG 3.43Å; C38-S41 PolarHBondContact O-N 2.78Å; C38-S41 PolarHBondContact SG-OG 2.77Å; C38-N42 VanDerWaalsContact O-CA 3.24Å; C38-N42 WeakPolarHBondContact O-CA 3.4Å; C38-N42 PolarHBondContact O-N 2.81Å; C38-K43 PolarHBondContact N-O 2.85Å; C38-Y45 HydrophobicContact CB-CD2 4.1Å; C38-Y45 HydrophobicContact CB-CE2 3.71Å
39K96.2Very high92.5Very high124 Ų12451 Ų5154%0.53926%0.263SS..THydrogen-bonded Turntrans-62.5-32-174.2-69.7178.2172.7-177.10113.3E16 D17 L18 V37E16-K39 WeakPolarHBondContact O-CE 3.26Å; E16-K39 PolarHBondContact O-NZ 3.32Å; D17-K39 WeakPolarHBondContact O-CD 3.16Å; L18-K39 WeakPolarHBondContact O-CB 3.15Å; L18-K39 PolarHBondContact O-N 3.15Å; V37-K39 PolarHBondContact O-N 3.38Å
40S95.2Very high93.6Very high111 Ų11145.3 Ų45.378%0.77624%0.237SC*.THydrogen-bonded Turntrans-80.3-31.8-177.763.50000113.7C38C38-S40 VanDerWaalsContact C-N 3.28Å; C38-S40 PolarHBondContact O-N 3.42Å; C38-S40 PolarHBondContact SG-OG 3.37Å
41S95.6Very high94.2Very high66 Ų6645.3 Ų45.346%0.46224%0.239SC..THydrogen-bonded Turntrans-112.3-11.5-173.763.20000114C38 K43C38-S41 WeakPolarHBondContact CB-OG 3.43Å; C38-S41 PolarHBondContact O-N 2.78Å; C38-S41 PolarHBondContact SG-OG 2.77Å; S41-K43 PolarHBondContact O-N 3.44Å; S41-K43 VanDerWaalsContact O-N 3.12Å; S41-K43 WeakPolarHBondContact OG-CB 3.47Å; S41-K43 PolarHBondContact OG-N 3.44Å
42N95.1Very high93.9Very high132 Ų13247.1 Ų47.171%0.70625%0.245SC*.  trans55.818-169.9-154.730.9000114.2V37 C38V37-N42 WeakPolarHBondContact CG1-OD1 3.37Å; C38-N42 VanDerWaalsContact O-CA 3.24Å; C38-N42 WeakPolarHBondContact O-CA 3.4Å; C38-N42 PolarHBondContact O-N 2.81Å
43K96.5Very high92.5Very high101 Ų10151.5 Ų51.544%0.43926%0.264SS..  trans-83.3137.3178.1-176.5168.7163-152.70110.2C38 S41 Y45C38-K43 PolarHBondContact N-O 2.85Å; S41-K43 PolarHBondContact O-N 3.44Å; S41-K43 VanDerWaalsContact O-N 3.12Å; S41-K43 WeakPolarHBondContact OG-CB 3.47Å; S41-K43 PolarHBondContact OG-N 3.44Å; K43-Y45 HydrophobicContact CB-CE2 3.84Å; K43-Y45 HydrophobicContact CD-CE1 4.22Å; K43-Y45 HydrophobicContact CD-CE2 4.26Å; K43-Y45 VanDerWaalsContact CD-OH 3.25Å; K43-Y45 WeakPolarHBondContact CD-OH 3.25Å; K43-Y45 WeakPolarHBondContact CE-OH 3.06Å; K43-Y45 HydrophobicContact CG-CE1 4.35Å; K43-Y45 HydrophobicContact CG-CE2 3.82Å; K43-Y45 PolarHBondContact NZ-OH 3.49Å; K43-Y45 VanDerWaalsContact O-CD2 3.3Å; K43-Y45 WeakPolarHBondContact O-CD2 3.17Å; K43-Y45 WeakPolarHBondContact O-CE2 2.77Å
44K96.8Very high90.8Very high123 Ų12355 Ų5554%0.53527%0.274SS..EExtended strand (participates in β ladder)trans-86.7142.8180-54.2-171.9174.7-177.20111.5L35 C36 V37 L101L35-K44 HydrophobicContact CD1-CB 4.12Å; L35-K44 HydrophobicContact CD1-CD 4.37Å; C36-K44 CarbonylContact O-C 3.43Å; C36-K44 WeakPolarHBondContact O-CA 3.32Å; V37-K44 HydrophobicContact CG2-CG 4.16Å; K44-L101 HydrophobicContact CB-CD2 3.7Å; K44-L101 HydrophobicContact CD-CD2 4.35Å
45Y97.4Very high88.9Confident21 Ų2154 Ų548%0.08227%0.269CS..EExtended strand (participates in β ladder)trans-142.6168-178.4-64.1-79000110.8Y19 C36 C38 K43 H86 I98Y19-Y45 HydrophobicContact CD1-CD2 4.42Å; Y19-Y45 AromaticContact CE1-CD2 3.74Å; Y19-Y45 HydrophobicContact CE1-CD2 3.74Å; Y19-Y45 HydrophobicContact CE1-CE2 4.15Å; Y19-Y45 HydrophobicContact CE1-CG 4.46Å; C36-Y45 PolarHBondContact N-O 3.33Å; C36-Y45 PolarHBondContact O-N 2.86Å; C38-Y45 HydrophobicContact CB-CD2 4.1Å; C38-Y45 HydrophobicContact CB-CE2 3.71Å; K43-Y45 HydrophobicContact CB-CE2 3.84Å; K43-Y45 HydrophobicContact CD-CE1 4.22Å; K43-Y45 HydrophobicContact CD-CE2 4.26Å; K43-Y45 VanDerWaalsContact CD-OH 3.25Å; K43-Y45 WeakPolarHBondContact CD-OH 3.25Å; K43-Y45 WeakPolarHBondContact CE-OH 3.06Å; K43-Y45 HydrophobicContact CG-CE1 4.35Å; K43-Y45 HydrophobicContact CG-CE2 3.82Å; K43-Y45 PolarHBondContact NZ-OH 3.49Å; K43-Y45 VanDerWaalsContact O-CD2 3.3Å; K43-Y45 WeakPolarHBondContact O-CD2 3.17Å; K43-Y45 WeakPolarHBondContact O-CE2 2.77Å; Y45-H86 AromaticContact CD1-CD2 3.72Å; Y45-H86 AromaticContact CD1-NE2 3.9Å; Y45-H86 AromaticContact CE1-CD2 3.67Å; Y45-H86 AromaticContact CE1-CE1 3.64Å; Y45-H86 AromaticContact CE1-CG 3.69Å; Y45-H86 AromaticContact CE1-ND1 3.65Å; Y45-H86 AromaticContact CE1-NE2 3.62Å; Y45-I98 HydrophobicContact CD1-CG2 4.25Å; Y45-I98 HydrophobicContact CG-CG2 3.97Å
46A96.9Very high86.6Confident7 Ų759.3 Ų59.36%0.05830%0.297CS..EExtended strand (participates in β ladder)trans-103.5127.9168.500000109.7I25 V33 N34 L99 L101I25-A46 HydrophobicContact CD1-CB 4.05Å; V33-A46 HydrophobicContact CG1-CB 3.99Å; N34-A46 CarbonylContact O-C 3.54Å; N34-A46 WeakPolarHBondContact O-CA 3.48Å; A46-L99 HydrophobicContact CB-CB 4.46Å; A46-L99 PolarHBondContact N-O 2.63Å; A46-L99 PolarHBondContact O-N 3.34Å; A46-L101 HydrophobicContact CB-CD1 4.26Å
47A96.7Very high84.4Confident0 Ų063.7 Ų63.70%032%0.324CS..EExtended strand (participates in β ladder)trans-103.4109.6174.500000109.3I21 V33 N34 C36 F49 V96 L97 I98I21-A47 HydrophobicContact CD1-CB 4.42Å; V33-A47 CarbonylContact C-O 3.55Å; V33-A47 WeakPolarHBondContact CA-O 3.35Å; N34-A47 PolarHBondContact N-O 2.85Å; N34-A47 PolarHBondContact O-N 2.76Å; C36-A47 HydrophobicContact CB-CB 4.29Å; A47-F49 HydrophobicContact CB-CD2 4.28Å; A47-F49 HydrophobicContact CB-CE2 3.59Å; A47-F49 HydrophobicContact CB-CZ 4.16Å; A47-F49 WeakPolarHBondContact O-CD2 3.44Å; A47-V96 HydrophobicContact CB-CG1 3.98Å; A47-L97 WeakPolarHBondContact CA-O 3.34Å; A47-I98 HydrophobicContact CB-CD1 3.87Å
48K94.8Very high81.9Confident23 Ų2365.1 Ų65.110%0.134%0.341CS..EExtended strand (participates in β ladder)trans-90.9104.6176.3-178.1178.9-180-1770109.1A31 D32 V33 I50 E70 V96 L97 L99 D165A31-K48 HydrophobicContact CB-CD 4.46Å; A31-K48 HydrophobicContact CB-CG 3.83Å; D32-K48 CarbonylContact O-C 3.58Å; D32-K48 WeakPolarHBondContact O-CA 3.39Å; V33-K48 HydrophobicContact CG2-CB 4.32Å; V33-K48 HydrophobicContact CG2-CG 4.2Å; K48-I50 HydrophobicContact CD-CD1 4.48Å; K48-I50 HydrophobicContact CG-CG1 4.11Å; K48-E70 IonicContact NZ-OE1 2.97Å; K48-E70 PolarHBondContact NZ-OE1 2.96Å; K48-E70 IonicContact NZ-OE2 3.68Å; K48-V96 WeakPolarHBondContact O-CA 3.27Å; K48-L97 HydrophobicContact CB-CB 4.33Å; K48-L97 HydrophobicContact CD-CD1 4.49Å; K48-L97 PolarHBondContact N-O 2.79Å; K48-L97 PolarHBondContact O-N 2.95Å; K48-L99 HydrophobicContact CB-CD1 4.16Å; K48-L99 HydrophobicContact CD-CD1 4.35Å; K48-D165 IonicContact NZ-OD1 3.71Å; K48-D165 PolarHBondContact NZ-OD1 3.32Å
49F93.2Very high79.4Confident29 Ų2970.8 Ų70.813%0.12737%0.37CS..EExtended strand (participates in β ladder)trans-88.2109.8178.2-66.9-96.9000110.4L15 I21 A31 D32 N34 A47 V96L15-F49 HydrophobicContact CD2-CE1 3.88Å; L15-F49 HydrophobicContact CD2-CZ 3.82Å; I21-F49 HydrophobicContact CD1-CZ 4.15Å; I21-F49 HydrophobicContact CG1-CZ 4.29Å; I21-F49 HydrophobicContact CG2-CE2 4.24Å; I21-F49 HydrophobicContact CG2-CZ 4.11Å; A31-F49 CarbonylContact C-O 3.57Å; A31-F49 WeakPolarHBondContact CA-O 3.16Å; D32-F49 PolarHBondContact N-O 3.1Å; D32-F49 PolarHBondContact O-N 3.25Å; N34-F49 HydrophobicContact CB-CE2 4.07Å; A47-F49 HydrophobicContact CB-CD2 4.28Å; A47-F49 HydrophobicContact CB-CE2 3.59Å; A47-F49 HydrophobicContact CB-CZ 4.16Å; A47-F49 WeakPolarHBondContact O-CD2 3.44Å; F49-V96 HydrophobicContact CD1-CB 4.37Å; F49-V96 HydrophobicContact CD1-CG1 4.06Å; F49-V96 HydrophobicContact CD1-CG2 3.41Å; F49-V96 VanDerWaalsContact CD1-CG2 3.41Å; F49-V96 HydrophobicContact CD2-CG1 4.37Å; F49-V96 HydrophobicContact CE1-CB 4.47Å; F49-V96 HydrophobicContact CE1-CG1 3.98Å; F49-V96 HydrophobicContact CE1-CG2 3.61Å; F49-V96 HydrophobicContact CE2-CG1 4.29Å; F49-V96 HydrophobicContact CG-CG1 4.25Å; F49-V96 HydrophobicContact CG-CG2 4.19Å; F49-V96 HydrophobicContact CZ-CG1 4.09Å
50I89.8Confident77Confident9 Ų969.8 Ų69.85%0.04637%0.367CS..EExtended strand (participates in β ladder)trans-104.6116.8-179.6-46.9172.9000108.9A31 K48 I55 I67 S94 V95 L97A31-I50 HydrophobicContact CB-CG1 3.96Å; K48-I50 HydrophobicContact CD-CD1 4.48Å; K48-I50 HydrophobicContact CG-CG1 4.11Å; I50-I55 HydrophobicContact CG2-CD1 4.09Å; I50-I67 HydrophobicContact CB-CD1 4.15Å; I50-I67 HydrophobicContact CD1-CG1 4.26Å; I50-I67 HydrophobicContact CD1-CG2 3.96Å; I50-I67 HydrophobicContact CG2-CD1 3.71Å; I50-I67 HydrophobicContact CG2-CG1 3.94Å; I50-S94 CarbonylContact O-C 3.58Å; I50-S94 WeakPolarHBondContact O-CA 3.48Å; I50-S94 VanDerWaalsContact O-CB 3.27Å; I50-S94 WeakPolarHBondContact O-CB 3.42Å; I50-V95 PolarHBondContact N-O 3.1Å; I50-V95 PolarHBondContact O-N 2.85Å; I50-L97 HydrophobicContact CD1-CD1 3.97Å; I50-L97 HydrophobicContact CD1-CG 4.22Å
51M82.7Confident74.5Confident64 Ų6467.8 Ų67.832%0.31536%0.364SS..EExtended strand (participates in β ladder)trans-82.1122.2-174.7-62.4-174.8-17700112.3Q53 R54M51-Q53 VanDerWaalsContact C-N 3.31Å; M51-Q53 PolarHBondContact O-N 2.64Å; M51-R54 HydrophobicContact CB-CB 4.49Å; M51-R54 HydrophobicContact CB-CG 4.2Å; M51-R54 PolarHBondContact O-N 3.15Å
52K77.7Confident72.5Confident48 Ų4866.4 Ų66.421%0.20935%0.354CS..SBendtrans-66.3-27.8178.4-61.8-175.9-165.5166.40113.6I55 N56 R91 E92 D93 V95K52-I55 VanDerWaalsContact O-CB 3.26Å; K52-I55 WeakPolarHBondContact O-CB 3.25Å; K52-I55 PolarHBondContact O-N 3.26Å; K52-N56 PolarHBondContact O-N 3.2Å; K52-R91 WeakPolarHBondContact CE-O 3.44Å; K52-R91 PolarHBondContact NZ-O 2.64Å; K52-E92 WeakPolarHBondContact CD-O 3.33Å; K52-E92 WeakPolarHBondContact CE-O 3.36Å; K52-E92 PolarHBondContact NZ-O 3.36Å; K52-D93 WeakPolarHBondContact CB-O 3.42Å; K52-D93 PolarHBondContact N-O 2.74Å; K52-V95 HydrophobicContact CG-CG2 4.49Å
53Q60.4Low71Confident122 Ų12262.1 Ų62.157%0.5733%0.334SS*.Hα-helixtrans-74.2-31.1-178.7-63.5-173.24.400112.5M51 I55 N56 D93M51-Q53 VanDerWaalsContact C-N 3.31Å; M51-Q53 PolarHBondContact O-N 2.64Å; Q53-I55 PolarHBondContact O-N 3.27Å; Q53-N56 PolarHBondContact O-N 3.21Å; Q53-D93 PolarHBondContact NE2-OD1 3.18Å
54R58.5Low69.9Low110 Ų11060 Ų6042%0.41533%0.33SS..Hα-helixtrans-72.4-14174.6-64.4-172.2-175.8172.27.1113H29 M51 T57H29-R54 PolarHBondContact O-NH1 3.34Å; M51-R54 HydrophobicContact CB-CB 4.49Å; M51-R54 HydrophobicContact CB-CG 4.2Å; M51-R54 PolarHBondContact O-N 3.15Å; R54-T57 PolarHBondContact O-OG1 3.09Å
55I56.1Low69Low9 Ų957.7 Ų57.75%0.04633%0.33CS..Hα-helixtrans-86.2-43.6177.3-77.5169.5000110I50 K52 Q53 T57 S62 V64 I67I50-I55 HydrophobicContact CG2-CD1 4.09Å; K52-I55 VanDerWaalsContact O-CB 3.26Å; K52-I55 WeakPolarHBondContact O-CB 3.25Å; K52-I55 PolarHBondContact O-N 3.26Å; Q53-I55 PolarHBondContact O-N 3.27Å; I55-T57 VanDerWaalsContact C-N 3.34Å; I55-T57 PolarHBondContact O-N 3.09Å; I55-S62 CarbonylContact C-O 3.59Å; I55-S62 WeakPolarHBondContact CA-O 3.23Å; I55-S62 WeakPolarHBondContact CB-O 3.11Å; I55-S62 VanDerWaalsContact CG1-O 3.25Å; I55-S62 WeakPolarHBondContact CG1-O 3.36Å; I55-S62 WeakPolarHBondContact CG2-O 3.34Å; I55-V64 HydrophobicContact CG2-CG2 4.48Å; I55-I67 HydrophobicContact CD1-CD1 3.27Å; I55-I67 HydrophobicContact CD1-CG1 3.95Å
56N47.7Very low68.4Low123 Ų12357.9 Ų57.966%0.65833%0.332SS*.Hα-helixtrans-76.1-13.3-176.1-73.5-16000115.2K52 Q53 G58K52-N56 PolarHBondContact O-N 3.2Å; Q53-N56 PolarHBondContact O-N 3.21Å; N56-G58 PolarHBondContact O-N 3.13Å; N56-G58 VanDerWaalsContact O-N 3.11Å
57T49.8Very low67.9Low92 Ų9257.8 Ų57.856%0.56433%0.33SS*.THydrogen-bonded Turntrans-70.8-1.9178.549.80000113.4R54 I55 L59R54-T57 PolarHBondContact O-OG1 3.09Å; I55-T57 VanDerWaalsContact C-N 3.34Å; I55-T57 PolarHBondContact O-N 3.09Å; T57-L59 VanDerWaalsContact O-CD1 3.32Å; T57-L59 WeakPolarHBondContact O-CD1 3.49Å; T57-L59 PolarHBondContact O-N 3.42Å
58G45.7Very low67.7Low43 Ų4360.8 Ų60.844%0.44335%0.346SS..SBendtrans65.3-7172.900000114.7N56N56-G58 PolarHBondContact O-N 3.13Å; N56-G58 VanDerWaalsContact O-N 3.11Å
59L44.7Very low67.5Low129 Ų12962.2 Ų62.268%0.67535%0.351SS*.SBendtrans-71.3-35.4-177.2-10181.8000111.3T57T57-L59 VanDerWaalsContact O-CD1 3.32Å; T57-L59 WeakPolarHBondContact O-CD1 3.49Å; T57-L59 PolarHBondContact O-N 3.42Å
60H45.3Very low67.6Low103 Ų10361.3 Ų61.348%0.47735%0.347SS..SBendtrans-144.378.4179.6-69.4-31.4000112.5H29 F30 S62H29-H60 AromaticContact CE1-CD2 3.92Å; F30-H60 HydrophobicContact CE1-CB 3.93Å; F30-H60 HydrophobicContact CZ-CB 3.72Å; H60-S62 VanDerWaalsContact C-N 3.25Å; H60-S62 PolarHBondContact O-N 2.9Å
61G44Very low67.8Low69 Ų6960.9 Ų60.971%0.71135%0.345SS*.  trans62.3-36.8138.500000121.6S63 D66G61-S63 PolarHBondContact O-N 3.43Å; G61-D66 VanDerWaalsContact O-OD2 3.11Å
62S53.2Low68.4Low37 Ų3760.4 Ų60.426%0.25934%0.341SS..  trans-72.8115.5-178.5-68.30000108.2I55 H60 D66I55-S62 CarbonylContact C-O 3.59Å; I55-S62 WeakPolarHBondContact CA-O 3.23Å; I55-S62 WeakPolarHBondContact CB-O 3.11Å; I55-S62 VanDerWaalsContact CG1-O 3.25Å; I55-S62 WeakPolarHBondContact CG1-O 3.36Å; I55-S62 WeakPolarHBondContact CG2-O 3.34Å; H60-S62 VanDerWaalsContact C-N 3.25Å; H60-S62 PolarHBondContact O-N 2.9Å; S62-D66 WeakPolarHBondContact CA-OD2 3.41Å
63S63.3Low69.3Low42 Ų4258.1 Ų58.129%0.29433%0.332SS..  trans-97162.3171.2600000109.2G61 S65 D66G61-S63 PolarHBondContact O-N 3.43Å; S63-S65 WeakPolarHBondContact CB-OG 3.44Å; S63-S65 PolarHBondContact O-N 2.91Å; S63-S65 VanDerWaalsContact O-N 3.15Å; S63-S65 PolarHBondContact OG-OG 3.05Å; S63-D66 WeakPolarHBondContact CB-OD2 3.23Å; S63-D66 PolarHBondContact N-OD2 2.62Å; S63-D66 WeakPolarHBondContact O-CB 3.49Å; S63-D66 PolarHBondContact O-N 2.85Å; S63-D66 PolarHBondContact OG-N 3.43Å; S63-D66 PolarHBondContact OG-OD2 3.49Å
64V72.4Confident71Confident57 Ų5752.5 Ų52.535%0.34531%0.305SS..Hα-helixtrans-54.4-34.3172.4177.10000110.7I55 D66 I67 D68I55-V64 HydrophobicContact CG2-CG2 4.48Å; V64-D66 VanDerWaalsContact C-N 3.26Å; V64-D66 PolarHBondContact O-N 3.46Å; V64-I67 PolarHBondContact O-N 2.71Å; V64-I67 VanDerWaalsContact O-N 3.15Å; V64-D68 PolarHBondContact O-N 3.24Å
65S78.8Confident72.8Confident75 Ų7547.7 Ų47.752%0.52429%0.289SS..Hα-helixtrans-62.4-24.5172.936.30000115S63 R69S63-S65 WeakPolarHBondContact CB-OG 3.44Å; S63-S65 PolarHBondContact O-N 2.91Å; S63-S65 VanDerWaalsContact O-N 3.15Å; S63-S65 PolarHBondContact OG-OG 3.05Å; S65-R69 VanDerWaalsContact O-CB 3.3Å; S65-R69 WeakPolarHBondContact O-CB 3.3Å; S65-R69 PolarHBondContact O-N 2.9Å; S65-R69 VanDerWaalsContact O-N 3.11Å
66D84.2Confident74.7Confident25 Ų2548.2 Ų48.213%0.13429%0.292CS..Hα-helixtrans-73.4-37.4174.3-66.8-61.2000111.8G61 S62 S63 V64 R69 E70 R170G61-D66 VanDerWaalsContact O-OD2 3.11Å; S62-D66 WeakPolarHBondContact CA-OD2 3.41Å; S63-D66 WeakPolarHBondContact CB-OD2 3.23Å; S63-D66 PolarHBondContact N-OD2 2.62Å; S63-D66 WeakPolarHBondContact O-CB 3.49Å; S63-D66 PolarHBondContact O-N 2.85Å; S63-D66 PolarHBondContact OG-N 3.43Å; S63-D66 PolarHBondContact OG-OD2 3.49Å; V64-D66 VanDerWaalsContact C-N 3.26Å; V64-D66 PolarHBondContact O-N 3.46Å; D66-R69 IonicContact OD1-CZ 3.89Å; D66-R69 IonicContact OD1-NH1 3.58Å; D66-R69 PolarHBondContact OD1-NH1 3.09Å; D66-R69 IonicContact OD1-NH2 3.67Å; D66-R69 PolarHBondContact OD1-NH2 2.77Å; D66-E70 PolarHBondContact O-N 3.4Å; D66-R170 IonicContact OD1-NH2 2.61Å
67I87.6Confident77.1Confident5 Ų542.4 Ų42.43%0.02626%0.261CS..Hα-helixtrans-68.2-47.5175.1-58.9166.5000110.3I50 I55 V64 R69 E70 A71 V95I50-I67 HydrophobicContact CB-CD1 4.15Å; I50-I67 HydrophobicContact CD1-CG1 4.26Å; I50-I67 HydrophobicContact CD1-CG2 3.96Å; I50-I67 HydrophobicContact CG2-CD1 3.71Å; I50-I67 HydrophobicContact CG2-CG1 3.94Å; I55-I67 HydrophobicContact CD1-CD1 3.27Å; I55-I67 HydrophobicContact CD1-CG1 3.95Å; V64-I67 PolarHBondContact O-N 2.71Å; V64-I67 VanDerWaalsContact O-N 3.15Å; I67-R69 PolarHBondContact O-N 3.45Å; I67-E70 PolarHBondContact O-N 3.5Å; I67-E70 VanDerWaalsContact O-N 3.07Å; I67-A71 PolarHBondContact O-N 2.94Å; I67-V95 HydrophobicContact CD1-CB 4.28Å; I67-V95 HydrophobicContact CD1-CG2 3.99Å; I67-V95 HydrophobicContact CG2-CB 3.88Å; I67-V95 HydrophobicContact CG2-CG1 3.71Å; I67-V95 HydrophobicContact CG2-CG2 4.18Å
68D91.1Very high79.2Confident62 Ų6244.2 Ų44.233%0.33226%0.263SS..Hα-helixtrans-59.5-37.7179.8-64.4-20.2000110.5V64 F72 Y90V64-D68 PolarHBondContact O-N 3.24Å; D68-F72 VanDerWaalsContact O-CB 3.26Å; D68-F72 WeakPolarHBondContact O-CB 3.45Å; D68-F72 PolarHBondContact O-N 2.86Å; D68-Y90 PolarHBondContact OD1-OH 3.27Å
69R91.8Very high81.6Confident53 Ų5344.1 Ų44.120%0.225%0.251CS..Hα-helixtrans-65.7-45.8173.3-176.9-170.660.6-110.6-9.7112.4S65 D66 I67 A71 F72 I73 G167 A169S65-R69 VanDerWaalsContact O-CB 3.3Å; S65-R69 WeakPolarHBondContact O-CB 3.3Å; S65-R69 PolarHBondContact O-N 2.9Å; S65-R69 VanDerWaalsContact O-N 3.11Å; D66-R69 IonicContact OD1-CZ 3.89Å; D66-R69 IonicContact OD1-NH1 3.58Å; D66-R69 PolarHBondContact OD1-NH1 3.09Å; D66-R69 IonicContact OD1-NH2 3.67Å; D66-R69 PolarHBondContact OD1-NH2 2.77Å; I67-R69 PolarHBondContact O-N 3.45Å; R69-A71 VanDerWaalsContact C-N 3.32Å; R69-A71 PolarHBondContact O-N 2.9Å; R69-F72 PolarHBondContact O-N 3.34Å; R69-I73 HydrophobicContact CG-CD1 3.84Å; R69-I73 HydrophobicContact CG-CG1 4.35Å; R69-I73 WeakPolarHBondContact O-CB 3.38Å; R69-I73 WeakPolarHBondContact O-CG1 3.37Å; R69-I73 PolarHBondContact O-N 3.31Å; R69-G167 PolarHBondContact NH2-O 2.99Å; R69-A169 PolarHBondContact NE-O 2.99Å
70E94Very high84.1Confident11 Ų1142.6 Ų42.65%0.05124%0.24CC..Hα-helixtrans-57.6-47.5176.3-179178.2178.300110.4K48 D66 I67 F72 I73 L74 L97 F166K48-E70 IonicContact NZ-OE1 2.97Å; K48-E70 PolarHBondContact NZ-OE1 2.96Å; K48-E70 IonicContact NZ-OE2 3.68Å; D66-E70 PolarHBondContact O-N 3.4Å; I67-E70 PolarHBondContact O-N 3.5Å; I67-E70 VanDerWaalsContact O-N 3.07Å; E70-F72 PolarHBondContact O-N 3.04Å; E70-I73 PolarHBondContact O-N 3.24Å; E70-L74 HydrophobicContact CG-CD1 3.88Å; E70-L74 HydrophobicContact CG-CG 4.49Å; E70-L74 WeakPolarHBondContact O-CB 3.3Å; E70-L74 WeakPolarHBondContact O-CG 3.37Å; E70-L74 PolarHBondContact O-N 3.45Å; E70-L97 HydrophobicContact CG-CD1 4.32Å; E70-F166 HydrophobicContact CG-CB 4.12Å
71A94.6Very high86.6Confident0 Ų037.8 Ų37.80%022%0.218CC..Hα-helixtrans-61.2-44.4177.100000112.4P8 I67 R69 L74 A75 L85 V88 L97P8-A71 HydrophobicContact CB-CB 4.33Å; P8-A71 HydrophobicContact CG-CB 4.39Å; I67-A71 PolarHBondContact O-N 2.94Å; R69-A71 VanDerWaalsContact C-N 3.32Å; R69-A71 PolarHBondContact O-N 2.9Å; A71-L74 PolarHBondContact O-N 2.59Å; A71-A75 VanDerWaalsContact O-CB 3.28Å; A71-A75 WeakPolarHBondContact O-CB 3.21Å; A71-A75 PolarHBondContact O-N 3.31Å; A71-L85 HydrophobicContact CB-CD2 4.45Å; A71-L85 WeakPolarHBondContact O-CD2 3.47Å; A71-V88 HydrophobicContact CB-CG2 4.1Å; A71-L97 HydrophobicContact CB-CD2 4.15Å
72F95.3Very high89.2Confident54 Ų5434.5 Ų34.524%0.23718%0.184CC..Hα-helixtrans-63.2-45.2177178.5-96.9000112.2L4 D68 R69 E70 A75 N76L4-F72 HydrophobicContact CB-CE1 3.87Å; L4-F72 HydrophobicContact CB-CZ 3.74Å; L4-F72 HydrophobicContact CD1-CE1 3.91Å; D68-F72 VanDerWaalsContact O-CB 3.26Å; D68-F72 WeakPolarHBondContact O-CB 3.45Å; D68-F72 PolarHBondContact O-N 2.86Å; R69-F72 PolarHBondContact O-N 3.34Å; E70-F72 PolarHBondContact O-N 3.04Å; F72-A75 PolarHBondContact O-N 3.14Å; F72-N76 PolarHBondContact O-N 3.5Å; F72-N76 PolarHBondContact O-ND2 2.71Å
73I96.3Very high91.3Very high0 Ų033 Ų330%017%0.173CC..Hα-helixtrans-61.3-51.2176.9-74.4174.6000109.9R69 E70 A75 N76 L77 I141 F166 A169 V171R69-I73 HydrophobicContact CG-CD1 3.84Å; R69-I73 HydrophobicContact CG-CG1 4.35Å; R69-I73 WeakPolarHBondContact O-CB 3.38Å; R69-I73 WeakPolarHBondContact O-CG1 3.37Å; R69-I73 PolarHBondContact O-N 3.31Å; E70-I73 PolarHBondContact O-N 3.24Å; I73-A75 VanDerWaalsContact C-N 3.3Å; I73-A75 PolarHBondContact O-N 2.9Å; I73-N76 PolarHBondContact O-N 2.96Å; I73-N76 VanDerWaalsContact O-N 3.1Å; I73-L77 HydrophobicContact CG2-CD1 3.67Å; I73-L77 HydrophobicContact CG2-CG 4.43Å; I73-L77 WeakPolarHBondContact O-CG 3.47Å; I73-L77 PolarHBondContact O-N 3Å; I73-I141 HydrophobicContact CG2-CD1 4.23Å; I73-I141 HydrophobicContact CG2-CG2 3.94Å; I73-F166 HydrophobicContact CG2-CD1 4.03Å; I73-A169 HydrophobicContact CD1-CB 3.82Å; I73-A169 WeakPolarHBondContact CD1-O 3.45Å; I73-A169 HydrophobicContact CG2-CB 4.12Å; I73-V171 HydrophobicContact CD1-CG2 4.44Å; I73-V171 HydrophobicContact CG1-CG2 4.19Å
74L96.9Very high92.9Very high3 Ų331.8 Ų31.82%0.01616%0.164CC..Hα-helixtrans-61.3-36.9179.8-76.8171.3000112.7E70 A71 N76 L77 V83 L85 L97 L99 F166E70-L74 HydrophobicContact CG-CD1 3.88Å; E70-L74 HydrophobicContact CG-CG 4.49Å; E70-L74 WeakPolarHBondContact O-CB 3.3Å; E70-L74 WeakPolarHBondContact O-CG 3.37Å; E70-L74 PolarHBondContact O-N 3.45Å; A71-L74 PolarHBondContact O-N 2.59Å; L74-N76 PolarHBondContact O-N 2.93Å; L74-L77 PolarHBondContact O-N 2.71Å; L74-V83 HydrophobicContact CD2-CG1 4.05Å; L74-L85 HydrophobicContact CB-CB 3.76Å; L74-L85 HydrophobicContact CB-CD2 3.95Å; L74-L85 HydrophobicContact CB-CG 4.45Å; L74-L97 HydrophobicContact CD1-CD1 4.29Å; L74-L99 HydrophobicContact CD1-CD2 4.08Å; L74-F166 HydrophobicContact CD2-CB 4.08Å; L74-F166 HydrophobicContact CD2-CD1 4.41Å; L74-F166 HydrophobicContact CD2-CD2 3.47Å; L74-F166 VanDerWaalsContact CD2-CD2 3.47Å; L74-F166 HydrophobicContact CD2-CE2 4Å; L74-F166 HydrophobicContact CD2-CG 3.72Å; L74-F166 HydrophobicContact CG-CB 4.08Å; L74-F166 HydrophobicContact CG-CD2 4.39Å; L74-F166 HydrophobicContact CG-CG 4.25Å
75A96.5Very high94.1Very high9 Ų930.1 Ų30.17%0.07415%0.153CC..Hα-helixtrans-61.8-27.7176.800000113Q6 P8 A71 F72 I73 L85Q6-A75 HydrophobicContact CG-CB 4.49Å; Q6-A75 WeakPolarHBondContact CG-O 3.36Å; Q6-A75 PolarHBondContact NE2-O 3.39Å; Q6-A75 VanDerWaalsContact NE2-O 3.16Å; Q6-A75 PolarHBondContact OE1-O 2.93Å; P8-A75 HydrophobicContact CB-CB 4.02Å; A71-A75 VanDerWaalsContact O-CB 3.28Å; A71-A75 WeakPolarHBondContact O-CB 3.21Å; A71-A75 PolarHBondContact O-N 3.31Å; F72-A75 PolarHBondContact O-N 3.14Å; I73-A75 VanDerWaalsContact C-N 3.3Å; I73-A75 PolarHBondContact O-N 2.9Å; A75-L85 HydrophobicContact CB-CD2 4.3Å
76N96.4Very high94.9Very high21 Ų2129 Ų2911%0.11214%0.139CC..THydrogen-bonded Turntrans-92.1-2.8177.2-71-91.7000113L4 S5 Q6 F72 I73 L74 L139L4-N76 HydrophobicContact CD2-CB 3.94Å; S5-N76 PolarHBondContact N-OD1 3.19Å; Q6-N76 WeakPolarHBondContact CB-OD1 3.33Å; Q6-N76 PolarHBondContact N-OD1 3.34Å; Q6-N76 PolarHBondContact O-ND2 2.64Å; F72-N76 PolarHBondContact O-N 3.5Å; F72-N76 PolarHBondContact O-ND2 2.71Å; I73-N76 PolarHBondContact O-N 2.96Å; I73-N76 VanDerWaalsContact O-N 3.1Å; L74-N76 PolarHBondContact O-N 2.93Å; N76-L139 WeakPolarHBondContact O-CD1 3.21Å
77L96.4Very high95.4Very high1 Ų129.5 Ų29.51%0.00514%0.141CC..  trans-103.8100.4-178.8-68.9172.4000110.9I73 L74 I82 M136 L139 I141 F166I73-L77 HydrophobicContact CG2-CD1 3.67Å; I73-L77 HydrophobicContact CG2-CG 4.43Å; I73-L77 WeakPolarHBondContact O-CG 3.47Å; I73-L77 PolarHBondContact O-N 3Å; L74-L77 PolarHBondContact O-N 2.71Å; L77-I82 HydrophobicContact CB-CG2 4.19Å; L77-I82 HydrophobicContact CD1-CG2 4.37Å; L77-I82 HydrophobicContact CD2-CD1 4.13Å; L77-M136 HydrophobicContact CD2-CG 3.91Å; L77-L139 HydrophobicContact CD2-CD1 3.94Å; L77-I141 HydrophobicContact CD2-CD1 3.84Å; L77-I141 HydrophobicContact CG-CD1 4.15Å; L77-F166 HydrophobicContact CD1-CD1 3.63Å; L77-F166 HydrophobicContact CD1-CE1 3.22Å; L77-F166 HydrophobicContact CD1-CZ 3.89Å
78Q94.5Very high95.9Very high129 Ų12929.2 Ų29.260%0.60314%0.139SC*.  trans-116.2101171-171.367.931.900110.1N84 H135Q78-N84 PolarHBondContact NE2-OD1 2.8Å; Q78-N84 PolarHBondContact OE1-OD1 2.96Å; Q78-H135 PolarHBondContact O-CE1 3.13Å
79H96.9Very high96.1Very high41 Ų4126.5 Ų26.519%0.1912%0.124CC..  trans-154.5148.7-178.2-170.9-96.4000111.7N81 I82 H135H79-N81 VanDerWaalsContact C-N 3.29Å; H79-N81 PolarHBondContact CE1-OD1 3.27Å; H79-N81 PolarHBondContact ND1-N 3Å; H79-N81 PolarHBondContact O-N 3.11Å; H79-I82 HydrophobicContact CB-CB 4.2Å; H79-I82 HydrophobicContact CB-CD1 4Å; H79-I82 HydrophobicContact CB-CG1 4.12Å; H79-I82 PolarHBondContact O-N 3.15Å; H79-I82 VanDerWaalsContact O-O 3.06Å; H79-H135 HydrophobicContact CB-CB 4.25Å; H79-H135 AromaticContact CD2-CG 3.89Å; H79-H135 AromaticContact CG-CG 3.99Å
80E96.5Very high96.1Very high98 Ų9828.3 Ų28.346%0.45813%0.132SC..THydrogen-bonded Turntrans-65-33-176.670177.6140.600113.1K160 K162E80-K160 IonicContact OE2-NZ 3.38Å; E80-K160 PolarHBondContact OE2-NZ 2.85Å; E80-K162 PolarHBondContact O-NZ 3.42Å
81N97.9Very high95.9Very high1 Ų131.3 Ų31.31%0.00514%0.143CC..THydrogen-bonded Turntrans-92.114.2178.4-55.9120000114.8H79 Q128 I161 I163H79-N81 VanDerWaalsContact C-N 3.29Å; H79-N81 PolarHBondContact CE1-OD1 3.27Å; H79-N81 PolarHBondContact ND1-N 3Å; H79-N81 PolarHBondContact O-N 3.11Å; N81-Q128 WeakPolarHBondContact CB-O 3.27Å; N81-Q128 PolarHBondContact ND2-OE1 3.15Å; N81-Q128 PolarHBondContact OD1-O 2.86Å; N81-I161 VanDerWaalsContact CA-O 3.28Å; N81-I161 WeakPolarHBondContact CA-O 3.07Å; N81-I161 HydrophobicContact CB-CD1 4.24Å; N81-I161 PolarHBondContact ND2-O 3.05Å; N81-I163 PolarHBondContact O-N 3.16Å
82I98Very high95.5Very high0 Ų039.7 Ų39.70%018%0.182CC..BIsolated β-bridgetrans-126.6146.9175.3-61.1176.1000108.3L77 H79 N84 H135 M136 K162 F166L77-I82 HydrophobicContact CB-CG2 4.19Å; L77-I82 HydrophobicContact CD1-CG2 4.37Å; L77-I82 HydrophobicContact CD2-CD1 4.13Å; H79-I82 HydrophobicContact CB-CB 4.2Å; H79-I82 HydrophobicContact CB-CD1 4Å; H79-I82 HydrophobicContact CB-CG1 4.12Å; H79-I82 PolarHBondContact O-N 3.15Å; H79-I82 VanDerWaalsContact O-O 3.06Å; I82-N84 PolarHBondContact O-N 3.27Å; I82-H135 HydrophobicContact CD1-CB 4.36Å; I82-M136 HydrophobicContact CD1-CG 3.73Å; I82-M136 HydrophobicContact CD1-SD 4.45Å; I82-K162 PolarHBondContact O-NZ 3.45Å; I82-F166 HydrophobicContact CG2-CE1 4.39Å; I82-F166 HydrophobicContact CG2-CE2 3.8Å; I82-F166 HydrophobicContact CG2-CZ 3.45Å; I82-F166 VanDerWaalsContact CG2-CZ 3.45Å
83V97Very high95Very high6 Ų641.2 Ų41.24%0.03619%0.192CC..PPolyproline II helixtrans-67.3127.3171.767.70000110.3L74 L99 D100 I163 I164 F166L74-V83 HydrophobicContact CD2-CG1 4.05Å; V83-L99 HydrophobicContact CG2-CB 3.92Å; V83-L99 HydrophobicContact CG2-CD2 4.48Å; V83-D100 HydrophobicContact CG2-CB 4.02Å; V83-I163 PolarHBondContact N-O 3.09Å; V83-I164 HydrophobicContact CB-CG2 4.17Å; V83-I164 HydrophobicContact CG1-CG2 4.46Å; V83-F166 HydrophobicContact CG1-CD2 4.28Å; V83-F166 HydrophobicContact CG1-CE2 4.05Å
84N97Very high94.7Very high16 Ų1642 Ų429%0.08620%0.198CC..PPolyproline II helixtrans-87.8140.7178-57-63.6000110.9Q78 I82 L99 D100Q78-N84 PolarHBondContact NE2-OD1 2.8Å; Q78-N84 PolarHBondContact OE1-OD1 2.96Å; I82-N84 PolarHBondContact O-N 3.27Å; N84-L99 WeakPolarHBondContact O-CA 3.44Å; N84-D100 WeakPolarHBondContact CB-OD2 3.36Å; N84-D100 PolarHBondContact N-OD2 2.88Å; N84-D100 PolarHBondContact ND2-OD2 2.97Å; N84-D100 PolarHBondContact O-N 2.88Å
85L97.5Very high94.5Very high23 Ų2341.8 Ų41.812%0.1220%0.197CC..EExtended strand (participates in β ladder)trans-90.2125.5168.617571.3000109.9P8 A71 L74 A75 V88 L97 L99P8-L85 HydrophobicContact CB-CD2 4.27Å; A71-L85 HydrophobicContact CB-CD2 4.45Å; A71-L85 WeakPolarHBondContact O-CD2 3.47Å; L74-L85 HydrophobicContact CB-CB 3.76Å; L74-L85 HydrophobicContact CB-CD2 3.95Å; L74-L85 HydrophobicContact CB-CG 4.45Å; A75-L85 HydrophobicContact CB-CD2 4.3Å; L85-V88 HydrophobicContact CD1-CG2 4.03Å; L85-V88 HydrophobicContact CD2-CG2 3.85Å; L85-V88 HydrophobicContact CG-CG2 4.35Å; L85-L97 HydrophobicContact CD1-CB 3.95Å; L85-L97 HydrophobicContact CD1-CD2 4.35Å; L85-L99 HydrophobicContact CB-CD2 4.12Å; L85-L99 HydrophobicContact CD1-CD2 3.82Å
86H96.4Very high94.4Very high51 Ų5141.4 Ų41.424%0.23619%0.193CC..EExtended strand (participates in β ladder)trans-93.4-53.1179.1-64.5-86.6000111Y45 I98 D100Y45-H86 AromaticContact CD1-CD2 3.72Å; Y45-H86 AromaticContact CD1-NE2 3.9Å; Y45-H86 AromaticContact CE1-CD2 3.67Å; Y45-H86 AromaticContact CE1-CE1 3.64Å; Y45-H86 AromaticContact CE1-CG 3.69Å; Y45-H86 AromaticContact CE1-ND1 3.65Å; Y45-H86 AromaticContact CE1-NE2 3.62Å; H86-I98 HydrophobicContact CB-CB 4.42Å; H86-I98 HydrophobicContact CB-CG2 4.17Å; H86-I98 PolarHBondContact N-O 2.65Å; H86-D100 IonicContact CD2-OD1 2.71Å; H86-D100 IonicContact CE1-OD1 3.34Å; H86-D100 PolarHBondContact CE1-OD1 3.44Å; H86-D100 IonicContact NE2-OD1 2.91Å; H86-D100 PolarHBondContact NE2-OD1 3.45Å
87E95.7Very high94.4Very high35 Ų3540.4 Ų40.416%0.16419%0.188CC..EExtended strand (participates in β ladder)trans-152.5155.6-174.4-67.2-177.1-110.200111.1L9 N11 Y19 F89 I98L9-E87 HydrophobicContact CD2-CG 3.79Å; L9-E87 HydrophobicContact CG-CG 4.15Å; L9-E87 CarbonylContact O-C 3.55Å; L9-E87 WeakPolarHBondContact O-CA 3.42Å; N11-E87 PolarHBondContact ND2-OE2 2.81Å; Y19-E87 PolarHBondContact OH-OE1 2.88Å; E87-F89 HydrophobicContact CB-CE2 4Å; E87-I98 HydrophobicContact CB-CB 4.33Å; E87-I98 HydrophobicContact CB-CG1 4.29Å; E87-I98 PolarHBondContact O-N 2.92Å
88V96.6Very high94.5Very high0 Ų040.3 Ų40.30%019%0.188CC..EExtended strand (participates in β ladder)trans-121.7131.8175.4-177.70000109.8P8 L9 V10 N11 A71 L85 Y90 V95 V96 L97P8-V88 HydrophobicContact CB-CG2 3.89Å; L9-V88 PolarHBondContact O-N 2.91Å; V10-V88 WeakPolarHBondContact CA-O 3.35Å; N11-V88 PolarHBondContact N-O 3.1Å; A71-V88 HydrophobicContact CB-CG2 4.1Å; L85-V88 HydrophobicContact CD1-CG2 4.03Å; L85-V88 HydrophobicContact CD2-CG2 3.85Å; L85-V88 HydrophobicContact CG-CG2 4.35Å; V88-Y90 HydrophobicContact CG1-CD2 4.18Å; V88-Y90 HydrophobicContact CG1-CE2 3.62Å; V88-V95 HydrophobicContact CG1-CG1 3.88Å; V88-V96 WeakPolarHBondContact CA-O 3.14Å; V88-L97 HydrophobicContact CB-CD2 4.43Å; V88-L97 HydrophobicContact CG1-CD2 3.95Å; V88-L97 HydrophobicContact CG2-CD2 3.85Å
89F96Very high94.6Very high4 Ų435 Ų352%0.01816%0.163CC..EExtended strand (participates in β ladder)trans-116130173.5-66.8-100.3000110.2N11 L15 L18 Y19 E87 V95 V96 I98N11-F89 HydrophobicContact CB-CD1 3.96Å; N11-F89 HydrophobicContact CB-CE1 3.5Å; N11-F89 HydrophobicContact CB-CE2 4.12Å; N11-F89 HydrophobicContact CB-CG 4.46Å; N11-F89 HydrophobicContact CB-CZ 3.58Å; N11-F89 VanDerWaalsContact CG-CE1 3.48Å; L15-F89 HydrophobicContact CB-CD1 3.92Å; L15-F89 HydrophobicContact CB-CE1 4.2Å; L15-F89 HydrophobicContact CB-CG 4.15Å; L15-F89 HydrophobicContact CD1-CD1 4.26Å; L15-F89 HydrophobicContact CD1-CD2 3.6Å; L15-F89 HydrophobicContact CD1-CE1 4.2Å; L15-F89 HydrophobicContact CD1-CE2 3.56Å; L15-F89 HydrophobicContact CD1-CG 3.97Å; L15-F89 HydrophobicContact CD1-CZ 3.87Å; L18-F89 HydrophobicContact CD1-CE1 4.14Å; L18-F89 HydrophobicContact CD1-CZ 3.98Å; Y19-F89 HydrophobicContact CD2-CE2 4.32Å; Y19-F89 HydrophobicContact CD2-CZ 4.17Å; Y19-F89 AromaticContact CE2-CE2 3.94Å; Y19-F89 HydrophobicContact CE2-CE2 3.94Å; Y19-F89 AromaticContact CE2-CZ 3.89Å; Y19-F89 HydrophobicContact CE2-CZ 3.89Å; E87-F89 HydrophobicContact CB-CE2 4Å; F89-V95 CarbonylContact O-C 3.6Å; F89-V95 WeakPolarHBondContact O-CA 2.96Å; F89-V96 HydrophobicContact CB-CB 4.22Å; F89-V96 PolarHBondContact N-O 3.03Å; F89-V96 PolarHBondContact O-N 3.22Å; F89-I98 HydrophobicContact CD2-CD1 4.4Å; F89-I98 HydrophobicContact CD2-CG1 3.96Å; F89-I98 HydrophobicContact CE2-CD1 4.4Å; F89-I98 HydrophobicContact CE2-CG1 3.76Å
90Y92.3Very high94.6Very high91 Ų9134.1 Ų34.136%0.35716%0.16SC..EExtended strand (participates in β ladder)trans-100.4118.2171.7-66.6-91.6000109.1V10 D68 V88 V95V10-Y90 HydrophobicContact CB-CE2 4.44Å; V10-Y90 HydrophobicContact CG1-CD2 3.63Å; V10-Y90 HydrophobicContact CG1-CE2 3.69Å; V10-Y90 HydrophobicContact CG2-CE2 3.86Å; D68-Y90 PolarHBondContact OD1-OH 3.27Å; V88-Y90 HydrophobicContact CG1-CD2 4.18Å; V88-Y90 HydrophobicContact CG1-CE2 3.62Å; Y90-V95 HydrophobicContact CD1-CB 4.49Å; Y90-V95 HydrophobicContact CD1-CG1 4.08Å; Y90-V95 HydrophobicContact CD1-CG2 3.72Å; Y90-V95 HydrophobicContact CE1-CG1 3.93Å; Y90-V95 HydrophobicContact CE1-CG2 3.92Å
91R89.9Confident94.5Very high75 Ų7531.3 Ų31.328%0.28315%0.148SC..  trans-101.1176.1169.9-61.7-174.1176.4-156.3-0.5109.7L15 E16 K52 S94L15-R91 VanDerWaalsContact CB-NH2 3.32Å; E16-R91 IonicContact OE1-CZ 3.19Å; E16-R91 IonicContact OE1-NH1 2.94Å; E16-R91 PolarHBondContact OE1-NH1 3.31Å; E16-R91 IonicContact OE1-NH2 2.62Å; E16-R91 PolarHBondContact OE1-NH2 2.99Å; E16-R91 IonicContact OE2-CZ 3.52Å; E16-R91 IonicContact OE2-NH1 3.92Å; E16-R91 IonicContact OE2-NH2 2.77Å; E16-R91 PolarHBondContact OE2-NH2 2.82Å; K52-R91 WeakPolarHBondContact CE-O 3.44Å; K52-R91 PolarHBondContact NZ-O 2.64Å; R91-S94 CarbonylContact C-O 3.6Å; R91-S94 WeakPolarHBondContact CA-O 3.41Å; R91-S94 WeakPolarHBondContact CB-O 3.26Å; R91-S94 PolarHBondContact N-O 3.3Å
92E85.5Confident94.3Very high176 Ų17632 Ų3282%0.82215%0.152SC*.SBendtrans-59.5-55.1176.1-170.6167.5-170.600110.9K52K52-E92 WeakPolarHBondContact CD-O 3.33Å; K52-E92 WeakPolarHBondContact CE-O 3.36Å; K52-E92 PolarHBondContact NZ-O 3.36Å
93D85.7Confident94Very high85 Ų8535.7 Ų35.746%0.45518%0.175SC..SBendtrans-100.1-5.4-174.4-70-46.4000115.6K52 Q53K52-D93 WeakPolarHBondContact CB-O 3.42Å; K52-D93 PolarHBondContact N-O 2.74Å; Q53-D93 PolarHBondContact NE2-OD1 3.18Å
94S89.5Confident93.6Very high16 Ų1635.6 Ų35.611%0.11218%0.175CC..EExtended strand (participates in β ladder)trans-146.9162-176.962.20000113.4I50 R91I50-S94 CarbonylContact O-C 3.58Å; I50-S94 WeakPolarHBondContact O-CA 3.48Å; I50-S94 VanDerWaalsContact O-CB 3.27Å; I50-S94 WeakPolarHBondContact O-CB 3.42Å; R91-S94 CarbonylContact C-O 3.6Å; R91-S94 WeakPolarHBondContact CA-O 3.41Å; R91-S94 WeakPolarHBondContact CB-O 3.26Å; R91-S94 PolarHBondContact N-O 3.3Å
95V92.5Very high93.3Very high0 Ų035.8 Ų35.80%018%0.181CC..EExtended strand (participates in β ladder)trans-115.9134.9165.8-175.80000107.1I50 K52 I67 V88 F89 Y90 L97I50-V95 PolarHBondContact N-O 3.1Å; I50-V95 PolarHBondContact O-N 2.85Å; K52-V95 HydrophobicContact CG-CG2 4.49Å; I67-V95 HydrophobicContact CD1-CB 4.28Å; I67-V95 HydrophobicContact CD1-CG2 3.99Å; I67-V95 HydrophobicContact CG2-CB 3.88Å; I67-V95 HydrophobicContact CG2-CG1 3.71Å; I67-V95 HydrophobicContact CG2-CG2 4.18Å; V88-V95 HydrophobicContact CG1-CG1 3.88Å; F89-V95 CarbonylContact O-C 3.6Å; F89-V95 WeakPolarHBondContact O-CA 2.96Å; Y90-V95 HydrophobicContact CD1-CB 4.49Å; Y90-V95 HydrophobicContact CD1-CG1 4.08Å; Y90-V95 HydrophobicContact CD1-CG2 3.72Å; Y90-V95 HydrophobicContact CE1-CG1 3.93Å; Y90-V95 HydrophobicContact CE1-CG2 3.92Å; V95-L97 HydrophobicContact CG1-CD2 4.33Å
96V95.2Very high93.1Very high0 Ų035.6 Ų35.60%018%0.179CC..EExtended strand (participates in β ladder)trans-117.1122.3-177.9-167.60000109.6L15 A47 K48 F49 V88 F89 I98L15-V96 HydrophobicContact CD2-CB 4.35Å; L15-V96 HydrophobicContact CD2-CG1 3.93Å; L15-V96 HydrophobicContact CD2-CG2 4.25Å; A47-V96 HydrophobicContact CB-CG1 3.98Å; K48-V96 WeakPolarHBondContact O-CA 3.27Å; F49-V96 HydrophobicContact CD1-CB 4.37Å; F49-V96 HydrophobicContact CD1-CG1 4.06Å; F49-V96 HydrophobicContact CD1-CG2 3.41Å; F49-V96 VanDerWaalsContact CD1-CG2 3.41Å; F49-V96 HydrophobicContact CD2-CG1 4.37Å; F49-V96 HydrophobicContact CE1-CB 4.47Å; F49-V96 HydrophobicContact CE1-CG1 3.98Å; F49-V96 HydrophobicContact CE1-CG2 3.61Å; F49-V96 HydrophobicContact CE2-CG1 4.29Å; F49-V96 HydrophobicContact CG-CG1 4.25Å; F49-V96 HydrophobicContact CG-CG2 4.19Å; F49-V96 HydrophobicContact CZ-CG1 4.09Å; V88-V96 WeakPolarHBondContact CA-O 3.14Å; F89-V96 HydrophobicContact CB-CB 4.22Å; F89-V96 PolarHBondContact N-O 3.03Å; F89-V96 PolarHBondContact O-N 3.22Å; V96-I98 HydrophobicContact CG1-CD1 4.13Å
97L96.1Very high92.9Very high0 Ų033.2 Ų33.20%017%0.168CC..EExtended strand (participates in β ladder)trans-100122.9174.3-50.4-177.4000109.2A47 K48 I50 E70 A71 L74 L85 V88 V95 L99A47-L97 WeakPolarHBondContact CA-O 3.34Å; K48-L97 HydrophobicContact CB-CB 4.33Å; K48-L97 HydrophobicContact CD-CD1 4.49Å; K48-L97 PolarHBondContact N-O 2.79Å; K48-L97 PolarHBondContact O-N 2.95Å; I50-L97 HydrophobicContact CD1-CD1 3.97Å; I50-L97 HydrophobicContact CD1-CG 4.22Å; E70-L97 HydrophobicContact CG-CD1 4.32Å; A71-L97 HydrophobicContact CB-CD2 4.15Å; L74-L97 HydrophobicContact CD1-CD1 4.29Å; L85-L97 HydrophobicContact CD1-CB 3.95Å; L85-L97 HydrophobicContact CD1-CD2 4.35Å; V88-L97 HydrophobicContact CB-CD2 4.43Å; V88-L97 HydrophobicContact CG1-CD2 3.95Å; V88-L97 HydrophobicContact CG2-CD2 3.85Å; V95-L97 HydrophobicContact CG1-CD2 4.33Å; L97-L99 HydrophobicContact CB-CD2 4.32Å; L97-L99 HydrophobicContact CB-CG 4.24Å
98I97.5Very high92.7Very high0 Ų031.6 Ų31.60%016%0.161CC..EExtended strand (participates in β ladder)trans-91.2113.3173.5-52.9-54.7000108.7L15 Y19 Y45 A47 H86 E87 F89 V96L15-I98 HydrophobicContact CD1-CD1 3.79Å; L15-I98 HydrophobicContact CD1-CG1 4.47Å; Y19-I98 HydrophobicContact CE1-CG2 3.93Å; Y19-I98 HydrophobicContact CE2-CG1 4.44Å; Y45-I98 HydrophobicContact CD1-CG2 4.25Å; Y45-I98 HydrophobicContact CG-CG2 3.97Å; A47-I98 HydrophobicContact CB-CD1 3.87Å; H86-I98 HydrophobicContact CB-CB 4.42Å; H86-I98 HydrophobicContact CB-CG2 4.17Å; H86-I98 PolarHBondContact N-O 2.65Å; E87-I98 HydrophobicContact CB-CB 4.33Å; E87-I98 HydrophobicContact CB-CG1 4.29Å; E87-I98 PolarHBondContact O-N 2.92Å; F89-I98 HydrophobicContact CD2-CD1 4.4Å; F89-I98 HydrophobicContact CD2-CG1 3.96Å; F89-I98 HydrophobicContact CE2-CD1 4.4Å; F89-I98 HydrophobicContact CE2-CG1 3.76Å; V96-I98 HydrophobicContact CG1-CD1 4.13Å
99L97.3Very high92.3Very high17 Ų1733 Ų339%0.08917%0.172CC..EExtended strand (participates in β ladder)trans-118.6162.4-171-59.8173.5000111.3A46 K48 L74 V83 N84 L85 L97 L101A46-L99 HydrophobicContact CB-CB 4.46Å; A46-L99 PolarHBondContact N-O 2.63Å; A46-L99 PolarHBondContact O-N 3.34Å; K48-L99 HydrophobicContact CB-CD1 4.16Å; K48-L99 HydrophobicContact CD-CD1 4.35Å; L74-L99 HydrophobicContact CD1-CD2 4.08Å; V83-L99 HydrophobicContact CG2-CB 3.92Å; V83-L99 HydrophobicContact CG2-CD2 4.48Å; N84-L99 WeakPolarHBondContact O-CA 3.44Å; L85-L99 HydrophobicContact CB-CD2 4.12Å; L85-L99 HydrophobicContact CD1-CD2 3.82Å; L97-L99 HydrophobicContact CB-CD2 4.32Å; L97-L99 HydrophobicContact CB-CG 4.24Å; L99-L101 PolarHBondContact O-N 3.47Å
100D96.1Very high91.9Very high22 Ų2234.3 Ų34.312%0.11818%0.177CC..EExtended strand (participates in β ladder)trans-50.1133165.4-76.9-17.9000110.4V83 N84 H86 V102 K162V83-D100 HydrophobicContact CG2-CB 4.02Å; N84-D100 WeakPolarHBondContact CB-OD2 3.36Å; N84-D100 PolarHBondContact N-OD2 2.88Å; N84-D100 PolarHBondContact ND2-OD2 2.97Å; N84-D100 PolarHBondContact O-N 2.88Å; H86-D100 IonicContact CD2-OD1 2.71Å; H86-D100 IonicContact CE1-OD1 3.34Å; H86-D100 PolarHBondContact CE1-OD1 3.44Å; H86-D100 IonicContact NE2-OD1 2.91Å; H86-D100 PolarHBondContact NE2-OD1 3.45Å; D100-V102 PolarHBondContact O-N 2.87Å; D100-K162 IonicContact OD2-NZ 3.11Å; D100-K162 PolarHBondContact OD2-NZ 3.34Å
101L95.3Very high91.7Very high40 Ų4030 Ų3021%0.20916%0.16CC..  trans-76.1121.4171.4-17968.1000109.7I25 L35 K44 A46 L99 T103I25-L101 HydrophobicContact CD1-CD1 3.77Å; L35-L101 HydrophobicContact CD1-CD1 3.8Å; L35-L101 HydrophobicContact CD1-CD2 3.52Å; L35-L101 HydrophobicContact CD1-CG 4.29Å; K44-L101 HydrophobicContact CB-CD2 3.7Å; K44-L101 HydrophobicContact CD-CD2 4.35Å; A46-L101 HydrophobicContact CB-CD1 4.26Å; L99-L101 PolarHBondContact O-N 3.47Å; L101-T103 HydrophobicContact CD1-CG2 4.28Å; L101-T103 HydrophobicContact CD2-CG2 3.71Å; L101-T103 HydrophobicContact CG-CG2 3.63Å
102V93.7Very high91.5Very high14 Ų1426.5 Ų26.59%0.08515%0.148CC..  trans-111.6118.6178.3-176.80000108.8D100 M152 I153 K162D100-V102 PolarHBondContact O-N 2.87Å; V102-M152 HydrophobicContact CB-CE 4.35Å; V102-M152 HydrophobicContact CB-SD 4.27Å; V102-M152 HydrophobicContact CG1-CB 3.46Å; V102-M152 VanDerWaalsContact CG1-CB 3.46Å; V102-M152 HydrophobicContact CG1-CE 3.85Å; V102-M152 HydrophobicContact CG1-CG 4.33Å; V102-M152 HydrophobicContact CG1-SD 3.91Å; V102-I153 WeakPolarHBondContact CG1-O 3.39Å; V102-K162 HydrophobicContact CG2-CB 4.42Å; V102-K162 HydrophobicContact CG2-CD 3.81Å
103T91.3Very high91.4Very high78 Ų7822.1 Ų22.148%0.47913%0.13SC..  trans-121.3-10.5-167.361.60000114.8L101 G105 E154L101-T103 HydrophobicContact CD1-CG2 4.28Å; L101-T103 HydrophobicContact CD2-CG2 3.71Å; L101-T103 HydrophobicContact CG-CG2 3.63Å; T103-G105 PolarHBondContact O-N 3.38Å; T103-E154 PolarHBondContact N-O 3.28Å; T103-E154 PolarHBondContact OG1-O 3.45Å
104G88.7Confident91.2Very high4 Ų419 Ų194%0.04112%0.115CC..SBendtrans-74.4-5.9-178.100000114.8I153 E154 L156G104-I153 WeakPolarHBondContact CA-O 3.38Å; G104-I153 PolarHBondContact N-O 3.33Å; G104-E154 PolarHBondContact N-O 3.05Å; G104-L156 WeakPolarHBondContact O-CD2 3.25Å
105G90.8Very high90.6Very high21 Ų2125.5 Ų25.522%0.21614%0.143CC..  trans78.5-173.9-176.800000113T103 M152 I153T103-G105 PolarHBondContact O-N 3.38Å; G105-M152 CarbonylContact O-C 3.58Å; G105-M152 WeakPolarHBondContact O-CA 3.35Å; G105-I153 PolarHBondContact O-N 3.36Å
106E92.2Very high90Very high18 Ų1833.6 Ų33.68%0.08417%0.174CC..BIsolated β-bridgetrans-71.1133.8177.7-64.2170.1-153.800111F108 A109 R110E106-F108 VanDerWaalsContact C-N 3.33Å; E106-F108 PolarHBondContact O-N 2.82Å; E106-A109 HydrophobicContact CB-CB 4.09Å; E106-A109 PolarHBondContact O-N 3.4Å; E106-R110 PolarHBondContact O-N 3.04Å; E106-R110 VanDerWaalsContact O-N 3.1Å
107L92.5Very high89.5Confident1 Ų133.6 Ų33.61%0.00517%0.174CC..Hα-helixtrans-56.1-48.1-178.7171.867000111.8R110 V111 F125 I151 I153 I161L107-R110 PolarHBondContact O-N 3.43Å; L107-V111 HydrophobicContact CD1-CG2 4.05Å; L107-V111 HydrophobicContact CG-CG2 4.41Å; L107-V111 WeakPolarHBondContact O-CG2 3.42Å; L107-V111 PolarHBondContact O-N 2.71Å; L107-F125 HydrophobicContact CD1-CB 4.47Å; L107-F125 HydrophobicContact CD1-CD1 3.6Å; L107-F125 HydrophobicContact CD1-CD2 3.94Å; L107-F125 HydrophobicContact CD1-CE1 3.66Å; L107-F125 HydrophobicContact CD1-CE2 3.99Å; L107-F125 HydrophobicContact CD1-CG 3.75Å; L107-F125 HydrophobicContact CD1-CZ 3.86Å; L107-F125 HydrophobicContact CD2-CB 3.91Å; L107-F125 HydrophobicContact CD2-CD1 4.38Å; L107-F125 HydrophobicContact CD2-CG 4.11Å; L107-I151 HydrophobicContact CB-CG2 3.98Å; L107-I151 WeakPolarHBondContact CB-O 3.22Å; L107-I151 HydrophobicContact CD2-CG2 3.7Å; L107-I151 PolarHBondContact N-O 3.14Å; L107-I153 HydrophobicContact CB-CG1 4.26Å; L107-I153 HydrophobicContact CD1-CD1 4.12Å; L107-I153 HydrophobicContact CD1-CG1 4.12Å; L107-I161 HydrophobicContact CD1-CG2 4.23Å; L107-I161 HydrophobicContact CD2-CG2 4.23Å
108F91.9Very high89.3Confident1 Ų134 Ų340%0.00418%0.177CC..Hα-helixtrans-69.7-39.3-172.9-74.9-102.2000112.2E106 R110 V111 A112 P148 L210 I213 L214 L303 I307E106-F108 VanDerWaalsContact C-N 3.33Å; E106-F108 PolarHBondContact O-N 2.82Å; F108-R110 VanDerWaalsContact C-N 3.26Å; F108-R110 PolarHBondContact O-N 3.24Å; F108-V111 PolarHBondContact O-N 3.44Å; F108-A112 WeakPolarHBondContact O-CB 3.49Å; F108-A112 PolarHBondContact O-N 3.06Å; F108-P148 HydrophobicContact CB-CB 4.05Å; F108-P148 HydrophobicContact CD1-CB 4.4Å; F108-P148 HydrophobicContact CD1-CG 4.35Å; F108-P148 HydrophobicContact CD2-CB 3.6Å; F108-P148 HydrophobicContact CD2-CG 4.14Å; F108-P148 HydrophobicContact CE1-CG 4.44Å; F108-P148 HydrophobicContact CE2-CB 4.14Å; F108-P148 HydrophobicContact CE2-CG 4.27Å; F108-P148 HydrophobicContact CG-CB 3.76Å; F108-P148 HydrophobicContact CG-CG 4.19Å; F108-P148 HydrophobicContact CZ-CG 4.42Å; F108-L210 HydrophobicContact CE1-CD2 4.42Å; F108-L210 HydrophobicContact CE2-CD2 3.72Å; F108-L210 HydrophobicContact CZ-CB 4.16Å; F108-L210 HydrophobicContact CZ-CD2 3.51Å; F108-L210 HydrophobicContact CZ-CG 4.45Å; F108-I213 HydrophobicContact CD1-CG2 4.13Å; F108-I213 HydrophobicContact CE1-CB 4.36Å; F108-I213 HydrophobicContact CE1-CG2 3.97Å; F108-L214 HydrophobicContact CD1-CD1 4.32Å; F108-L214 HydrophobicContact CE1-CB 3.84Å; F108-L214 HydrophobicContact CE1-CD1 4.11Å; F108-L214 HydrophobicContact CZ-CB 4.31Å; F108-L303 HydrophobicContact CB-CD1 4.49Å; F108-L303 HydrophobicContact CD1-CD1 3.83Å; F108-L303 HydrophobicContact CD1-CD2 4.36Å; F108-I307 HydrophobicContact CB-CD1 3.7Å; F108-I307 HydrophobicContact CB-CG1 4.27Å
109A89.1Confident89Confident29 Ų2934.2 Ų34.224%0.2418%0.177CC..Hα-helixtrans-58.7-42.6171.700000110.6E106 A112 D113 I307E106-A109 HydrophobicContact CB-CB 4.09Å; E106-A109 PolarHBondContact O-N 3.4Å; A109-A112 WeakPolarHBondContact O-CB 3.31Å; A109-A112 PolarHBondContact O-N 3.33Å; A109-D113 PolarHBondContact O-N 3.4Å; A109-I307 HydrophobicContact CB-CG2 4.5Å
110R86.9Confident88.8Confident32 Ų3235.5 Ų35.512%0.12118%0.183CC..Hα-helixtrans-69.3-39.4-179.3-14268.7173.195.72.9113.5E106 L107 F108 A112 D113 C114 I153 L156 L350 P351E106-R110 PolarHBondContact O-N 3.04Å; E106-R110 VanDerWaalsContact O-N 3.1Å; L107-R110 PolarHBondContact O-N 3.43Å; F108-R110 VanDerWaalsContact C-N 3.26Å; F108-R110 PolarHBondContact O-N 3.24Å; R110-A112 VanDerWaalsContact C-N 3.32Å; R110-D113 PolarHBondContact O-N 3.33Å; R110-C114 PolarHBondContact O-SG 3.27Å; R110-C114 VanDerWaalsContact O-SG 3.39Å; R110-I153 HydrophobicContact CB-CD1 3.8Å; R110-I153 HydrophobicContact CG-CD1 4.02Å; R110-L156 HydrophobicContact CG-CD2 4.48Å; R110-L156 VanDerWaalsContact NE-CD2 3.35Å; R110-L350 HydrophobicContact CB-CD2 4.44Å; R110-L350 HydrophobicContact CG-CD2 3.25Å; R110-P351 PolarHBondContact NH2-O 3.14Å
111V87.7Confident88.6Confident1 Ų136.1 Ų36.11%0.00619%0.185CC..Hα-helixtrans-64-38.8173.3165.40000111.1L107 F108 D113 C114 L117 F125 L214 L300 L303L107-V111 HydrophobicContact CD1-CG2 4.05Å; L107-V111 HydrophobicContact CG-CG2 4.41Å; L107-V111 WeakPolarHBondContact O-CG2 3.42Å; L107-V111 PolarHBondContact O-N 2.71Å; F108-V111 PolarHBondContact O-N 3.44Å; V111-D113 PolarHBondContact O-N 3.01Å; V111-C114 WeakPolarHBondContact O-CB 3.32Å; V111-C114 PolarHBondContact O-N 2.94Å; V111-L117 HydrophobicContact CB-CD2 4.48Å; V111-L117 HydrophobicContact CG1-CD2 3.41Å; V111-L117 VanDerWaalsContact CG1-CD2 3.41Å; V111-L117 HydrophobicContact CG1-CG 4.47Å; V111-L117 HydrophobicContact CG2-CD2 4.25Å; V111-F125 HydrophobicContact CG2-CE2 4.2Å; V111-L214 HydrophobicContact CB-CD1 4.43Å; V111-L214 HydrophobicContact CG1-CD1 4Å; V111-L214 HydrophobicContact CG2-CD1 4.22Å; V111-L300 HydrophobicContact CG1-CD2 3.89Å; V111-L303 HydrophobicContact CB-CD2 4.28Å; V111-L303 HydrophobicContact CG1-CD2 3.82Å
112A86.5Confident88.5Confident2 Ų234.2 Ų34.22%0.01718%0.175CC..Hα-helixtrans-65.2-20178.100000113.7F108 A109 R110 L303 R304F108-A112 WeakPolarHBondContact O-CB 3.49Å; F108-A112 PolarHBondContact O-N 3.06Å; A109-A112 WeakPolarHBondContact O-CB 3.31Å; A109-A112 PolarHBondContact O-N 3.33Å; R110-A112 VanDerWaalsContact C-N 3.32Å; A112-L303 HydrophobicContact CB-CB 4.35Å; A112-L303 HydrophobicContact CB-CD2 4.12Å; A112-L303 HydrophobicContact CB-CG 4.05Å; A112-R304 HydrophobicContact CB-CB 4Å; A112-R304 PolarHBondContact O-NH2 3.19Å
113D84Confident88.6Confident83 Ų8333.5 Ų33.544%0.44417%0.171SC..THydrogen-bonded Turntrans-89.5-10.7174.9-70.2-21000113.4A109 R110 V111 R304A109-D113 PolarHBondContact O-N 3.4Å; R110-D113 PolarHBondContact O-N 3.33Å; V111-D113 PolarHBondContact O-N 3.01Å; D113-R304 IonicContact OD1-NE 2.92Å
114C81.3Confident88.8Confident20 Ų2033 Ų3314%0.13517%0.165CC..  trans-70.5147.2176-64.30000111.2R110 V111 L300R110-C114 PolarHBondContact O-SG 3.27Å; R110-C114 VanDerWaalsContact O-SG 3.39Å; V111-C114 WeakPolarHBondContact O-CB 3.32Å; V111-C114 PolarHBondContact O-N 2.94Å; C114-L300 WeakPolarHBondContact O-CD1 3.37Å
115E77Confident89.1Confident152 Ų15233.3 Ų33.371%0.7117%0.166SC*.SBendtrans-78.7-32.3172.5-66.6-170.1159.700112.4
116R78.7Confident89.5Confident170 Ų17032.4 Ų32.464%0.64216%0.156SC*.  trans-143.9133-178.2-59.917379.993.9-14.8108L294R116-L294 VanDerWaalsContact CZ-CD1 3.42Å
117L85.7Confident89.8Confident0 Ų034.5 Ų34.50%017%0.166CC..EExtended strand (participates in β ladder)trans-128.1125.3168.4-177.272.5000107.6V111 E121 A122 F125 L214 I295 L300 F348V111-L117 HydrophobicContact CB-CD2 4.48Å; V111-L117 HydrophobicContact CG1-CD2 3.41Å; V111-L117 VanDerWaalsContact CG1-CD2 3.41Å; V111-L117 HydrophobicContact CG1-CG 4.47Å; V111-L117 HydrophobicContact CG2-CD2 4.25Å; L117-E121 HydrophobicContact CD1-CB 3.54Å; L117-E121 HydrophobicContact CD1-CG 4.49Å; L117-E121 HydrophobicContact CG-CB 4.38Å; L117-A122 HydrophobicContact CD2-CB 4.08Å; L117-F125 HydrophobicContact CD1-CE2 4.31Å; L117-L214 HydrophobicContact CD2-CD1 4.37Å; L117-I295 HydrophobicContact CB-CB 4.39Å; L117-I295 HydrophobicContact CB-CD1 4.1Å; L117-I295 HydrophobicContact CD2-CD1 3.53Å; L117-I295 HydrophobicContact CG-CD1 3.88Å; L117-I295 WeakPolarHBondContact O-CB 3.35Å; L117-I295 PolarHBondContact O-N 2.99Å; L117-L300 HydrophobicContact CB-CD2 4.36Å; L117-F348 HydrophobicContact CD1-CD2 4.39Å; L117-F348 HydrophobicContact CD1-CE2 3.86Å
118S90.8Very high90Very high9 Ų936 Ų366%0.06317%0.172CC..EExtended strand (participates in β ladder)trans-80.815517361.50000111.4E120 E121 A122 S293S118-E120 PolarHBondContact O-N 3.07Å; S118-E121 PolarHBondContact N-OE2 3.28Å; S118-E121 PolarHBondContact O-N 3.23Å; S118-E121 VanDerWaalsContact O-N 3.15Å; S118-E121 VanDerWaalsContact OG-CD 3.25Å; S118-E121 VanDerWaalsContact OG-CG 3.25Å; S118-E121 WeakPolarHBondContact OG-CG 3.28Å; S118-E121 PolarHBondContact OG-N 3.33Å; S118-E121 VanDerWaalsContact OG-N 3.15Å; S118-E121 PolarHBondContact OG-OE2 2.88Å; S118-A122 PolarHBondContact O-N 3.5Å; S118-S293 WeakPolarHBondContact CA-O 3.27Å
119E92.5Very high90.3Very high4 Ų436.1 Ų36.12%0.01917%0.173CC..Hα-helixtrans-62-29.4169.5-75.4-163.7-14800111.8A122 S123 L215 S249 W278 R290 S293E119-A122 PolarHBondContact O-N 2.9Å; E119-S123 VanDerWaalsContact O-CB 3.29Å; E119-S123 WeakPolarHBondContact O-CB 3.36Å; E119-S123 PolarHBondContact O-N 3.17Å; E119-S123 PolarHBondContact O-OG 2.93Å; E119-L215 HydrophobicContact CG-CD2 4.41Å; E119-S249 WeakPolarHBondContact OE1-CB 3.44Å; E119-S249 PolarHBondContact OE1-N 2.89Å; E119-S249 VanDerWaalsContact OE2-CB 3.23Å; E119-S249 WeakPolarHBondContact OE2-CB 3.4Å; E119-S249 PolarHBondContact OE2-OG 3.22Å; E119-W278 PolarHBondContact OE2-NE1 3.25Å; E119-R290 PolarHBondContact N-O 2.85Å; E119-S293 PolarHBondContact N-O 3.39Å
120E92.6Very high90.8Very high45 Ų4534.7 Ų34.721%0.2116%0.162CC..Hα-helixtrans-57.9-46.5171.2-171.7-178.8-134.600111.4S118 S123 N124 R290 R291S118-E120 PolarHBondContact O-N 3.07Å; E120-S123 WeakPolarHBondContact CA-OG 3.35Å; E120-S123 PolarHBondContact O-OG 3.39Å; E120-N124 PolarHBondContact O-N 2.9Å; E120-N124 VanDerWaalsContact O-N 3.07Å; E120-N124 PolarHBondContact O-ND2 2.87Å; E120-N124 PolarHBondContact O-OD1 2.89Å; E120-R290 HydrophobicContact CB-CB 4.27Å; E120-R290 PolarHBondContact N-O 2.87Å; E120-R291 HydrophobicContact CB-CG 4.18Å; E120-R291 VanDerWaalsContact CD-CG 3.42Å; E120-R291 HydrophobicContact CG-CG 4.33Å; E120-R291 IonicContact OE1-CZ 2.9Å; E120-R291 IonicContact OE1-NE 3.44Å; E120-R291 PolarHBondContact OE1-NE 3.48Å; E120-R291 IonicContact OE1-NH2 2.74Å; E120-R291 PolarHBondContact OE1-NH2 2.89Å; E120-R291 WeakPolarHBondContact OE2-CG 3.18Å; E120-R291 IonicContact OE2-NE 2.76Å; E120-R291 PolarHBondContact OE2-NE 3.2Å
121E91.5Very high91.3Very high34 Ų3435.5 Ų35.516%0.15917%0.168CC..Hα-helixtrans-68.4-45.4177.7-70.8159.3146.900111.8L117 S118 S123 N124 F125 F348L117-E121 HydrophobicContact CD1-CB 3.54Å; L117-E121 HydrophobicContact CD1-CG 4.49Å; L117-E121 HydrophobicContact CG-CB 4.38Å; S118-E121 PolarHBondContact N-OE2 3.28Å; S118-E121 PolarHBondContact O-N 3.23Å; S118-E121 VanDerWaalsContact O-N 3.15Å; S118-E121 VanDerWaalsContact OG-CD 3.25Å; S118-E121 VanDerWaalsContact OG-CG 3.25Å; S118-E121 WeakPolarHBondContact OG-CG 3.28Å; S118-E121 PolarHBondContact OG-N 3.33Å; S118-E121 VanDerWaalsContact OG-N 3.15Å; S118-E121 PolarHBondContact OG-OE2 2.88Å; E121-S123 VanDerWaalsContact C-N 3.33Å; E121-S123 PolarHBondContact O-N 2.86Å; E121-N124 WeakPolarHBondContact O-CB 3.41Å; E121-N124 PolarHBondContact O-N 2.74Å; E121-N124 VanDerWaalsContact O-N 3.13Å; E121-F125 VanDerWaalsContact O-CD2 3.27Å; E121-F125 WeakPolarHBondContact O-CD2 3.41Å; E121-F125 PolarHBondContact O-N 2.75Å; E121-F125 VanDerWaalsContact O-N 3.1Å; E121-F348 HydrophobicContact CG-CD2 4.45Å; E121-F348 WeakPolarHBondContact OE1-CB 3.41Å; E121-F348 WeakPolarHBondContact OE1-CD2 3.42Å
122A94.1Very high91.8Very high0 Ų035.4 Ų35.40%017%0.168CC..Hα-helixtrans-57-47.3177.400000111.7L117 S118 E119 N124 F125 V126 L214 L215 I295L117-A122 HydrophobicContact CD2-CB 4.08Å; S118-A122 PolarHBondContact O-N 3.5Å; E119-A122 PolarHBondContact O-N 2.9Å; A122-N124 VanDerWaalsContact C-N 3.32Å; A122-N124 PolarHBondContact O-N 3.49Å; A122-F125 PolarHBondContact O-N 2.96Å; A122-V126 WeakPolarHBondContact O-CG2 3.26Å; A122-V126 PolarHBondContact O-N 2.89Å; A122-L214 HydrophobicContact CB-CD2 3.94Å; A122-L214 HydrophobicContact CB-CG 4.27Å; A122-L215 HydrophobicContact CB-CD2 3.79Å; A122-I295 HydrophobicContact CB-CD1 4.03Å
123S95.6Very high92.4Very high0 Ų035.3 Ų35.30%017%0.167CC..Hα-helixtrans-67.7-28.2177.850.20000113.2E119 E120 E121 V126 Q127 R290E119-S123 VanDerWaalsContact O-CB 3.29Å; E119-S123 WeakPolarHBondContact O-CB 3.36Å; E119-S123 PolarHBondContact O-N 3.17Å; E119-S123 PolarHBondContact O-OG 2.93Å; E120-S123 WeakPolarHBondContact CA-OG 3.35Å; E120-S123 PolarHBondContact O-OG 3.39Å; E121-S123 VanDerWaalsContact C-N 3.33Å; E121-S123 PolarHBondContact O-N 2.86Å; S123-V126 PolarHBondContact O-N 3.19Å; S123-Q127 VanDerWaalsContact O-CB 3.27Å; S123-Q127 WeakPolarHBondContact O-CB 3.28Å; S123-Q127 PolarHBondContact O-N 2.79Å; S123-R290 PolarHBondContact OG-NE 3.02Å; S123-R290 VanDerWaalsContact OG-NE 3.1Å; S123-R290 PolarHBondContact OG-NH2 2.89Å
124N94.8Very high93.1Very high67 Ų6734.7 Ų34.736%0.35816%0.161SC..Hα-helixtrans-67.9-38.2171.6-69.2-20.9000111.6E120 E121 A122 Q127 Q128E120-N124 PolarHBondContact O-N 2.9Å; E120-N124 VanDerWaalsContact O-N 3.07Å; E120-N124 PolarHBondContact O-ND2 2.87Å; E120-N124 PolarHBondContact O-OD1 2.89Å; E121-N124 WeakPolarHBondContact O-CB 3.41Å; E121-N124 PolarHBondContact O-N 2.74Å; E121-N124 VanDerWaalsContact O-N 3.13Å; A122-N124 VanDerWaalsContact C-N 3.32Å; A122-N124 PolarHBondContact O-N 3.49Å; N124-Q127 PolarHBondContact O-N 2.82Å; N124-Q128 WeakPolarHBondContact O-CG 3.36Å; N124-Q128 PolarHBondContact O-N 2.91Å; N124-Q128 VanDerWaalsContact O-N 3.13Å
125F95.9Very high93.9Very high10 Ų1036.3 Ų36.34%0.04417%0.167CC..Hα-helixtrans-65.9-45.6172.6-66.4-54.1000111.7L107 V111 L117 E121 A122 Q127 Q128 I129 I161 F348L107-F125 HydrophobicContact CD1-CB 4.47Å; L107-F125 HydrophobicContact CD1-CD1 3.6Å; L107-F125 HydrophobicContact CD1-CD2 3.94Å; L107-F125 HydrophobicContact CD1-CE1 3.66Å; L107-F125 HydrophobicContact CD1-CE2 3.99Å; L107-F125 HydrophobicContact CD1-CG 3.75Å; L107-F125 HydrophobicContact CD1-CZ 3.86Å; L107-F125 HydrophobicContact CD2-CB 3.91Å; L107-F125 HydrophobicContact CD2-CD1 4.38Å; L107-F125 HydrophobicContact CD2-CG 4.11Å; V111-F125 HydrophobicContact CG2-CE2 4.2Å; L117-F125 HydrophobicContact CD1-CE2 4.31Å; E121-F125 VanDerWaalsContact O-CD2 3.27Å; E121-F125 WeakPolarHBondContact O-CD2 3.41Å; E121-F125 PolarHBondContact O-N 2.75Å; E121-F125 VanDerWaalsContact O-N 3.1Å; A122-F125 PolarHBondContact O-N 2.96Å; F125-Q127 VanDerWaalsContact C-N 3.28Å; F125-Q127 PolarHBondContact O-N 2.73Å; F125-Q128 PolarHBondContact O-N 2.87Å; F125-Q128 VanDerWaalsContact O-N 3.15Å; F125-I129 WeakPolarHBondContact O-CG1 3.17Å; F125-I129 PolarHBondContact O-N 2.93Å; F125-I161 HydrophobicContact CD1-CG2 3.72Å; F125-I161 HydrophobicContact CE1-CG2 4.28Å; F125-F348 HydrophobicContact CE2-CE2 4.16Å; F125-F348 HydrophobicContact CE2-CZ 4.06Å; F125-F348 HydrophobicContact CZ-CE1 4.26Å; F125-F348 HydrophobicContact CZ-CE2 4.17Å; F125-F348 AromaticContact CZ-CZ 3.67Å; F125-F348 HydrophobicContact CZ-CZ 3.67Å
126V97.8Very high94.9Very high2 Ų229.1 Ų29.11%0.01213%0.133CC..Hα-helixtrans-61.1-38.5175.7176.60000111.1A122 S123 Q128 I129 L130 V207 T211 L214 F255 W278 I279A122-V126 WeakPolarHBondContact O-CG2 3.26Å; A122-V126 PolarHBondContact O-N 2.89Å; S123-V126 PolarHBondContact O-N 3.19Å; V126-Q128 VanDerWaalsContact C-N 3.35Å; V126-Q128 PolarHBondContact O-N 3.26Å; V126-I129 PolarHBondContact O-N 2.91Å; V126-L130 HydrophobicContact CG1-CD1 4.17Å; V126-L130 HydrophobicContact CG1-CG 4.35Å; V126-L130 VanDerWaalsContact O-CG 3.31Å; V126-L130 WeakPolarHBondContact O-CG 3.36Å; V126-L130 PolarHBondContact O-N 2.83Å; V126-V207 HydrophobicContact CG1-CG1 4.45Å; V126-T211 HydrophobicContact CG2-CG2 4.21Å; V126-L214 HydrophobicContact CG2-CD2 3.88Å; V126-F255 HydrophobicContact CG1-CE1 3.94Å; V126-F255 HydrophobicContact CG1-CZ 3.94Å; V126-W278 HydrophobicContact CB-CZ3 4.2Å; V126-W278 HydrophobicContact CG1-CZ3 4.19Å; V126-W278 HydrophobicContact CG2-CH2 4.15Å; V126-W278 HydrophobicContact CG2-CZ3 4.18Å; V126-I279 HydrophobicContact CB-CD1 4.19Å; V126-I279 HydrophobicContact CG1-CD1 3.93Å
127Q98Very high95.7Very high62 Ų6222.1 Ų22.129%0.2911%0.108SC..Hα-helixtrans-58.8-45.3174.4-177.7178.171.400111.7S123 N124 F125 I129 L130 L131 L274 I279S123-Q127 VanDerWaalsContact O-CB 3.27Å; S123-Q127 WeakPolarHBondContact O-CB 3.28Å; S123-Q127 PolarHBondContact O-N 2.79Å; N124-Q127 PolarHBondContact O-N 2.82Å; F125-Q127 VanDerWaalsContact C-N 3.28Å; F125-Q127 PolarHBondContact O-N 2.73Å; Q127-I129 VanDerWaalsContact C-N 3.35Å; Q127-I129 PolarHBondContact O-N 2.77Å; Q127-L130 WeakPolarHBondContact O-CB 3.36Å; Q127-L130 PolarHBondContact O-N 3.26Å; Q127-L131 HydrophobicContact CG-CD1 4.4Å; Q127-L131 WeakPolarHBondContact O-CG 3.46Å; Q127-L131 PolarHBondContact O-N 2.89Å; Q127-L274 HydrophobicContact CG-CD2 4.22Å; Q127-I279 HydrophobicContact CB-CG2 3.96Å; Q127-I279 HydrophobicContact CG-CG2 3.93Å
128Q98.1Very high96.2Very high32 Ų3224.5 Ų24.515%0.1513%0.133CC..Hα-helixtrans-64.6-38.2177.7-70.1-17865.500112.5N81 N124 F125 V126 L130 L131 G132 R159 K160 I161N81-Q128 WeakPolarHBondContact CB-O 3.27Å; N81-Q128 PolarHBondContact ND2-OE1 3.15Å; N81-Q128 PolarHBondContact OD1-O 2.86Å; N124-Q128 WeakPolarHBondContact O-CG 3.36Å; N124-Q128 PolarHBondContact O-N 2.91Å; N124-Q128 VanDerWaalsContact O-N 3.13Å; F125-Q128 PolarHBondContact O-N 2.87Å; F125-Q128 VanDerWaalsContact O-N 3.15Å; V126-Q128 VanDerWaalsContact C-N 3.35Å; V126-Q128 PolarHBondContact O-N 3.26Å; Q128-L130 VanDerWaalsContact C-N 3.34Å; Q128-L131 PolarHBondContact O-N 3.27Å; Q128-G132 PolarHBondContact O-N 3.33Å; Q128-G132 VanDerWaalsContact O-N 3.13Å; Q128-R159 PolarHBondContact NE2-O 3.49Å; Q128-K160 VanDerWaalsContact OE1-CA 3.31Å; Q128-I161 HydrophobicContact CB-CD1 4.11Å; Q128-I161 HydrophobicContact CB-CG1 3.41Å; Q128-I161 VanDerWaalsContact CB-CG1 3.41Å; Q128-I161 HydrophobicContact CG-CG1 4.4Å
129I98.5Very high96.4Very high4 Ų425.6 Ų25.62%0.02114%0.138CC..Hα-helixtrans-59.8-47.8171.8-62.5169.1000109.7F125 V126 Q127 L131 G132 V133 I151 I161 V207F125-I129 WeakPolarHBondContact O-CG1 3.17Å; F125-I129 PolarHBondContact O-N 2.93Å; V126-I129 PolarHBondContact O-N 2.91Å; Q127-I129 VanDerWaalsContact C-N 3.35Å; Q127-I129 PolarHBondContact O-N 2.77Å; I129-L131 VanDerWaalsContact C-N 3.31Å; I129-L131 PolarHBondContact O-N 2.86Å; I129-G132 PolarHBondContact O-N 2.78Å; I129-V133 HydrophobicContact CG2-CG2 4.34Å; I129-V133 WeakPolarHBondContact O-CG2 3.42Å; I129-V133 PolarHBondContact O-N 3.07Å; I129-I151 HydrophobicContact CD1-CD1 4.39Å; I129-I151 HydrophobicContact CD1-CG1 4.33Å; I129-I151 HydrophobicContact CD1-CG2 4.06Å; I129-I151 HydrophobicContact CG1-CD1 4.26Å; I129-I151 HydrophobicContact CG1-CG2 4.13Å; I129-I151 HydrophobicContact CG2-CD1 4.5Å; I129-I161 HydrophobicContact CG1-CD1 3.83Å; I129-I161 HydrophobicContact CG1-CG1 4.46Å; I129-V207 HydrophobicContact CG2-CG2 4.21Å
130L98.7Very high96.5Very high0 Ų025.4 Ų25.40%014%0.137CC..Hα-helixtrans-60.9-36.8178-70.9169.5000112.6V126 Q127 Q128 V133 Q134 M204 V207 F255 V270 C273 L274 I279V126-L130 HydrophobicContact CG1-CD1 4.17Å; V126-L130 HydrophobicContact CG1-CG 4.35Å; V126-L130 VanDerWaalsContact O-CG 3.31Å; V126-L130 WeakPolarHBondContact O-CG 3.36Å; V126-L130 PolarHBondContact O-N 2.83Å; Q127-L130 WeakPolarHBondContact O-CB 3.36Å; Q127-L130 PolarHBondContact O-N 3.26Å; Q128-L130 VanDerWaalsContact C-N 3.34Å; L130-V133 PolarHBondContact O-N 2.92Å; L130-Q134 VanDerWaalsContact O-CB 3.27Å; L130-Q134 WeakPolarHBondContact O-CB 3.49Å; L130-Q134 PolarHBondContact O-N 3Å; L130-M204 HydrophobicContact CD2-CE 3.78Å; L130-V207 HydrophobicContact CD2-CG1 4.02Å; L130-F255 HydrophobicContact CD1-CE2 4.35Å; L130-F255 HydrophobicContact CD1-CZ 4.05Å; L130-V270 HydrophobicContact CB-CG2 4.27Å; L130-V270 HydrophobicContact CD2-CG2 4.04Å; L130-V270 WeakPolarHBondContact O-CG2 3.15Å; L130-C273 HydrophobicContact CD1-CB 3.95Å; L130-C273 HydrophobicContact CD2-CB 3.78Å; L130-L274 HydrophobicContact CB-CD2 3.67Å; L130-L274 HydrophobicContact CB-CG 4Å; L130-L274 HydrophobicContact CD1-CD2 4.2Å; L130-L274 HydrophobicContact CD1-CG 4.44Å; L130-I279 HydrophobicContact CD1-CD1 4.13Å; L130-I279 HydrophobicContact CD1-CG1 4.02Å
131L98.5Very high96.7Very high48 Ų4823.3 Ų23.325%0.25113%0.127SC..Hα-helixtrans-65-43.2176.2-70.2171.4000111.4Q127 Q128 I129 Q134 H135 L274Q127-L131 HydrophobicContact CG-CD1 4.4Å; Q127-L131 WeakPolarHBondContact O-CG 3.46Å; Q127-L131 PolarHBondContact O-N 2.89Å; Q128-L131 PolarHBondContact O-N 3.27Å; I129-L131 VanDerWaalsContact C-N 3.31Å; I129-L131 PolarHBondContact O-N 2.86Å; L131-Q134 PolarHBondContact O-N 2.98Å; L131-H135 PolarHBondContact O-N 3.35Å; L131-H135 VanDerWaalsContact O-N 3.11Å; L131-L274 HydrophobicContact CD2-CD1 4.3Å; L131-L274 HydrophobicContact CD2-CD2 4.05Å; L131-L274 HydrophobicContact CG-CD2 4.27Å
132G98.3Very high96.9Very high0 Ų021.7 Ų21.70%012%0.119CC..Hα-helixtrans-60.6-46.3171.800000112.4Q128 I129 Q134 H135 M136Q128-G132 PolarHBondContact O-N 3.33Å; Q128-G132 VanDerWaalsContact O-N 3.13Å; I129-G132 PolarHBondContact O-N 2.78Å; G132-Q134 VanDerWaalsContact C-N 3.32Å; G132-Q134 PolarHBondContact O-N 3.36Å; G132-H135 PolarHBondContact O-N 2.78Å; G132-M136 WeakPolarHBondContact O-CG 3.46Å; G132-M136 PolarHBondContact O-N 3.09Å; G132-M136 VanDerWaalsContact O-N 3.13Å
133V98.5Very high97Very high0 Ų021.7 Ų21.70%012%0.119CC..Hα-helixtrans-62.7-38.5176.8175.20000111.9I129 L130 H135 M136 H137 L146 I163 M204 V207 V270I129-V133 HydrophobicContact CG2-CG2 4.34Å; I129-V133 WeakPolarHBondContact O-CG2 3.42Å; I129-V133 PolarHBondContact O-N 3.07Å; L130-V133 PolarHBondContact O-N 2.92Å; V133-H135 VanDerWaalsContact C-N 3.33Å; V133-H135 PolarHBondContact O-N 3.4Å; V133-M136 HydrophobicContact CB-CE 4.26Å; V133-M136 HydrophobicContact CG2-CE 3.84Å; V133-M136 PolarHBondContact O-N 2.92Å; V133-H137 WeakPolarHBondContact CG1-CE1 3.47Å; V133-H137 WeakPolarHBondContact CG1-NE2 3.01Å; V133-H137 WeakPolarHBondContact O-CB 3.37Å; V133-H137 PolarHBondContact O-CD2 2.88Å; V133-H137 VanDerWaalsContact O-CG 3.32Å; V133-H137 PolarHBondContact O-N 3.47Å; V133-L146 HydrophobicContact CG2-CD1 3.86Å; V133-I163 HydrophobicContact CG2-CD1 4.33Å; V133-M204 HydrophobicContact CG1-SD 3.97Å; V133-V207 HydrophobicContact CG2-CG2 4.35Å; V133-V270 HydrophobicContact CB-CG2 4.22Å; V133-V270 HydrophobicContact CG1-CB 4.32Å; V133-V270 HydrophobicContact CG1-CG2 4.08Å
134Q98.3Very high96.9Very high70 Ų7022.3 Ų22.333%0.32712%0.123SC..Hα-helixtrans-61.7-43.9177.7-176-175.846.800111L130 L131 G132 G138 V270 N271 L274L130-Q134 VanDerWaalsContact O-CB 3.27Å; L130-Q134 WeakPolarHBondContact O-CB 3.49Å; L130-Q134 PolarHBondContact O-N 3Å; L131-Q134 PolarHBondContact O-N 2.98Å; G132-Q134 VanDerWaalsContact C-N 3.32Å; G132-Q134 PolarHBondContact O-N 3.36Å; Q134-G138 PolarHBondContact O-N 2.82Å; Q134-V270 HydrophobicContact CB-CG1 4.15Å; Q134-V270 HydrophobicContact CB-CG2 3.76Å; Q134-V270 HydrophobicContact CG-CG1 4.29Å; Q134-N271 PolarHBondContact NE2-OD1 2.95Å; Q134-L274 HydrophobicContact CB-CD1 4.09Å; Q134-L274 VanDerWaalsContact CD-CD1 3.42Å; Q134-L274 HydrophobicContact CG-CD1 4.18Å
135H97.8Very high96.9Very high54 Ų5419.8 Ų19.825%0.2511%0.109CC..Hα-helixtrans-60.9-48.3176.7-174.674.3000111.5Q78 H79 I82 L131 G132 V133 G138 L139Q78-H135 PolarHBondContact O-CE1 3.13Å; H79-H135 HydrophobicContact CB-CB 4.25Å; H79-H135 AromaticContact CD2-CG 3.89Å; H79-H135 AromaticContact CG-CG 3.99Å; I82-H135 HydrophobicContact CD1-CB 4.36Å; L131-H135 PolarHBondContact O-N 3.35Å; L131-H135 VanDerWaalsContact O-N 3.11Å; G132-H135 PolarHBondContact O-N 2.78Å; V133-H135 VanDerWaalsContact C-N 3.33Å; V133-H135 PolarHBondContact O-N 3.4Å; H135-G138 PolarHBondContact O-N 2.88Å; H135-L139 PolarHBondContact O-N 2.88Å
136M97.8Very high96.9Very high0 Ų019.4 Ų19.40%011%0.108CC..Hα-helixtrans-59.3-51.7176.5-66.5-173.8-72.800111.9L77 I82 G132 V133 G138 L139 G140 I141 H143 I163 F166L77-M136 HydrophobicContact CD2-CG 3.91Å; I82-M136 HydrophobicContact CD1-CG 3.73Å; I82-M136 HydrophobicContact CD1-SD 4.45Å; G132-M136 WeakPolarHBondContact O-CG 3.46Å; G132-M136 PolarHBondContact O-N 3.09Å; G132-M136 VanDerWaalsContact O-N 3.13Å; V133-M136 HydrophobicContact CB-CE 4.26Å; V133-M136 HydrophobicContact CG2-CE 3.84Å; V133-M136 PolarHBondContact O-N 2.92Å; M136-G138 VanDerWaalsContact C-N 3.28Å; M136-G138 PolarHBondContact O-N 2.81Å; M136-L139 CarbonylContact O-C 3.56Å; M136-L139 PolarHBondContact O-N 3.32Å; M136-G140 PolarHBondContact O-N 3.04Å; M136-I141 CarbonylContact C-O 3.59Å; M136-I141 VanDerWaalsContact C-O 3.3Å; M136-I141 HydrophobicContact CB-CB 4.24Å; M136-I141 HydrophobicContact CB-CG2 4.36Å; M136-I141 PolarHBondContact O-N 3.49Å; M136-H143 HydrophobicContact CE-CB 4Å; M136-H143 HydrophobicContact SD-CB 4.04Å; M136-I163 HydrophobicContact CE-CD1 4.03Å; M136-F166 HydrophobicContact CG-CE1 4.39Å; M136-F166 HydrophobicContact SD-CE1 3.45Å; M136-F166 WeakPolarHBondContact SD-CE1 3.36Å; M136-F166 HydrophobicContact SD-CZ 3.94Å
137H96.9Very high96.7Very high23 Ų2320.1 Ų20.111%0.10611%0.11CC..Hα-helixtrans-64.5-34.2-177.5-71.2-170000111.8V133 L139 G140 I141 F200 D203 V270V133-H137 WeakPolarHBondContact CG1-CE1 3.47Å; V133-H137 WeakPolarHBondContact CG1-NE2 3.01Å; V133-H137 WeakPolarHBondContact O-CB 3.37Å; V133-H137 PolarHBondContact O-CD2 2.88Å; V133-H137 VanDerWaalsContact O-CG 3.32Å; V133-H137 PolarHBondContact O-N 3.47Å; H137-L139 PolarHBondContact O-N 3.34Å; H137-G140 PolarHBondContact O-N 3.21Å; H137-I141 PolarHBondContact CD2-O 3.3Å; H137-I141 VanDerWaalsContact CD2-O 3.31Å; H137-F200 HydrophobicContact CB-CD1 4.05Å; H137-F200 AromaticContact CD2-CD1 3.66Å; H137-F200 PolarHBondContact CE1-O 3.22Å; H137-F200 AromaticContact CG-CD1 3.69Å; H137-D203 IonicContact CD2-OD2 2.65Å; H137-D203 IonicContact NE2-OD2 2.76Å; H137-D203 PolarHBondContact NE2-OD2 2.94Å; H137-V270 HydrophobicContact CB-CG1 4.44Å
138G95.7Very high96.4Very high51 Ų5117.4 Ų17.453%0.52610%0.098SC..Hα-helixtrans-62.5-29.2174.200000113.6P2 Q134 H135 M136P2-G138 WeakPolarHBondContact CD-O 3.5Å; Q134-G138 PolarHBondContact O-N 2.82Å; H135-G138 PolarHBondContact O-N 2.88Å; M136-G138 VanDerWaalsContact C-N 3.28Å; M136-G138 PolarHBondContact O-N 2.81Å
139L95.2Very high96Very high32 Ų3217.9 Ų17.917%0.16810%0.1CC..THydrogen-bonded Turntrans-90.50.3174.9-66.3178.7000113.3P2 L4 N76 L77 H135 M136 H137 I141P2-L139 HydrophobicContact CB-CD2 4.19Å; P2-L139 HydrophobicContact CG-CD2 3.96Å; L4-L139 HydrophobicContact CD2-CB 4.11Å; L4-L139 HydrophobicContact CD2-CD2 4.35Å; N76-L139 WeakPolarHBondContact O-CD1 3.21Å; L77-L139 HydrophobicContact CD2-CD1 3.94Å; H135-L139 PolarHBondContact O-N 2.88Å; M136-L139 CarbonylContact O-C 3.56Å; M136-L139 PolarHBondContact O-N 3.32Å; H137-L139 PolarHBondContact O-N 3.34Å; L139-I141 VanDerWaalsContact C-N 3.33Å; L139-I141 HydrophobicContact CB-CD1 3.89Å; L139-I141 HydrophobicContact CB-CG1 4.31Å; L139-I141 HydrophobicContact CD1-CD1 4.29Å
140G94.8Very high95.8Very high0 Ų018 Ų180%010%0.101CC..THydrogen-bonded Turntrans77.317.4-176.500000114.1M1 M136 H137 L172M1-G140 VanDerWaalsContact SD-CA 3.59Å; M136-G140 PolarHBondContact O-N 3.04Å; H137-G140 PolarHBondContact O-N 3.21Å; G140-L172 PolarHBondContact O-N 3.2Å
141I95.9Very high95.7Very high0 Ų018 Ų180%010%0.101CC..EExtended strand (participates in β ladder)trans-97.5138.2-179.6-63.8160.2000109.5L4 I73 L77 M136 H137 L139 A169 R170 V171L4-I141 HydrophobicContact CD1-CD1 4.17Å; L4-I141 HydrophobicContact CD1-CG1 4.27Å; L4-I141 HydrophobicContact CD2-CD1 4.4Å; I73-I141 HydrophobicContact CG2-CD1 4.23Å; I73-I141 HydrophobicContact CG2-CG2 3.94Å; L77-I141 HydrophobicContact CD2-CD1 3.84Å; L77-I141 HydrophobicContact CG-CD1 4.15Å; M136-I141 CarbonylContact C-O 3.59Å; M136-I141 VanDerWaalsContact C-O 3.3Å; M136-I141 HydrophobicContact CB-CB 4.24Å; M136-I141 HydrophobicContact CB-CG2 4.36Å; M136-I141 PolarHBondContact O-N 3.49Å; H137-I141 PolarHBondContact CD2-O 3.3Å; H137-I141 VanDerWaalsContact CD2-O 3.31Å; L139-I141 VanDerWaalsContact C-N 3.33Å; L139-I141 HydrophobicContact CB-CD1 3.89Å; L139-I141 HydrophobicContact CB-CG1 4.31Å; L139-I141 HydrophobicContact CD1-CD1 4.29Å; I141-A169 HydrophobicContact CG2-CB 4.5Å; I141-R170 WeakPolarHBondContact CA-O 3.35Å; I141-V171 HydrophobicContact CG1-CG2 4.22Å
142V96Very high95.5Very high0 Ų016.1 Ų16.10%09%0.091CC..EExtended strand (participates in β ladder)trans-115.2144.5167-710000110.3L144 A169 R170 L172 I198 F200 D203V142-L144 HydrophobicContact CB-CD2 4.02Å; V142-L144 HydrophobicContact CB-CG 4.3Å; V142-L144 HydrophobicContact CG2-CD1 4.15Å; V142-L144 HydrophobicContact CG2-CD2 3.79Å; V142-L144 HydrophobicContact CG2-CG 3.86Å; V142-A169 CarbonylContact O-C 3.55Å; V142-A169 WeakPolarHBondContact O-CA 3.19Å; V142-A169 WeakPolarHBondContact O-CB 3.32Å; V142-R170 HydrophobicContact CG2-CB 4.13Å; V142-R170 WeakPolarHBondContact CG2-O 3.49Å; V142-R170 PolarHBondContact N-O 2.96Å; V142-R170 PolarHBondContact O-N 3.44Å; V142-L172 HydrophobicContact CG1-CD1 3.53Å; V142-L172 HydrophobicContact CG1-CG 3.92Å; V142-L172 HydrophobicContact CG2-CD1 4.22Å; V142-L172 HydrophobicContact CG2-CD2 3.8Å; V142-L172 HydrophobicContact CG2-CG 3.82Å; V142-I198 HydrophobicContact CG2-CG2 4.47Å; V142-F200 HydrophobicContact CG1-CD1 3.49Å; V142-F200 VanDerWaalsContact CG1-CD1 3.49Å; V142-F200 HydrophobicContact CG1-CE1 3.91Å; V142-F200 HydrophobicContact CG1-CG 4.37Å; V142-D203 VanDerWaalsContact CA-OD2 3.32Å; V142-D203 WeakPolarHBondContact CA-OD2 3.32Å
143H95.9Very high95.3Very high0 Ų016.2 Ų16.20%09%0.092CC..  trans-85-43.6-176-171.7-78.1000112.7M136 D145 L146 I163 I164 D165 F166 L168 A169 D203M136-H143 HydrophobicContact CE-CB 4Å; M136-H143 HydrophobicContact SD-CB 4.04Å; H143-D145 PolarHBondContact CE1-O 3.36Å; H143-D145 VanDerWaalsContact CE1-O 3.29Å; H143-D145 PolarHBondContact ND1-N 3.13Å; H143-D145 VanDerWaalsContact ND1-N 3.2Å; H143-D145 PolarHBondContact ND1-O 3.25Å; H143-D145 PolarHBondContact O-N 2.93Å; H143-L146 HydrophobicContact CB-CD2 4.13Å; H143-L146 HydrophobicContact CB-CG 4.01Å; H143-L146 PolarHBondContact ND1-N 2.86Å; H143-I163 WeakPolarHBondContact NE2-CG2 3.35Å; H143-I164 PolarHBondContact NE2-O 3.41Å; H143-D165 PolarHBondContact CE1-O 2.95Å; H143-D165 VanDerWaalsContact CE1-O 3.22Å; H143-D165 PolarHBondContact NE2-O 3.2Å; H143-D165 VanDerWaalsContact NE2-O 3.15Å; H143-F166 AromaticContact CD2-CE1 3.78Å; H143-F166 AromaticContact CD2-CZ 3.89Å; H143-L168 CarbonylContact O-C 3.3Å; H143-A169 PolarHBondContact O-N 2.96Å; H143-D203 PolarHBondContact N-OD1 3.05Å; H143-D203 PolarHBondContact N-OD2 3.42Å
144L94.5Very high95Very high14 Ų1418.9 Ų18.97%0.07310%0.104CC..SBendtrans66.4-13.3179.1-52-177.9000117.3V142 L168 R170 F178 I198 T202 D203V142-L144 HydrophobicContact CB-CD2 4.02Å; V142-L144 HydrophobicContact CB-CG 4.3Å; V142-L144 HydrophobicContact CG2-CD1 4.15Å; V142-L144 HydrophobicContact CG2-CD2 3.79Å; V142-L144 HydrophobicContact CG2-CG 3.86Å; L144-L168 HydrophobicContact CB-CB 4.39Å; L144-R170 HydrophobicContact CD1-CB 4.47Å; L144-R170 HydrophobicContact CD1-CG 4.05Å; L144-F178 HydrophobicContact CD1-CE1 4.01Å; L144-I198 HydrophobicContact CD1-CD1 4.29Å; L144-I198 HydrophobicContact CD1-CG2 4.36Å; L144-I198 HydrophobicContact CD2-CG2 3.48Å; L144-I198 VanDerWaalsContact CD2-CG2 3.48Å; L144-T202 HydrophobicContact CD2-CG2 4.15Å; L144-D203 PolarHBondContact N-OD1 2.68Å
145D94.2Very high94.6Very high14 Ų1418 Ų188%0.07510%0.102CC..  trans-127.343.8177.3-155.627000113.1H143 K147 N150 L168H143-D145 PolarHBondContact CE1-O 3.36Å; H143-D145 VanDerWaalsContact CE1-O 3.29Å; H143-D145 PolarHBondContact ND1-N 3.13Å; H143-D145 VanDerWaalsContact ND1-N 3.2Å; H143-D145 PolarHBondContact ND1-O 3.25Å; H143-D145 PolarHBondContact O-N 2.93Å; D145-K147 VanDerWaalsContact CG-NZ 3.33Å; D145-K147 PolarHBondContact O-N 2.99Å; D145-K147 WeakPolarHBondContact OD1-CE 3.19Å; D145-K147 IonicContact OD1-NZ 3.81Å; D145-K147 PolarHBondContact OD1-NZ 3.36Å; D145-K147 WeakPolarHBondContact OD2-CE 3.44Å; D145-K147 IonicContact OD2-NZ 2.64Å; D145-K147 PolarHBondContact OD2-NZ 3.41Å; D145-N150 PolarHBondContact O-ND2 3.1Å; D145-N150 PolarHBondContact OD2-ND2 3.39Å; D145-L168 HydrophobicContact CB-CB 4.24Å; D145-L168 HydrophobicContact CB-CD1 3.79Å; D145-L168 HydrophobicContact CB-CG 4.43Å
146L95.8Very high93.9Very high2 Ų217.7 Ų17.71%0.0110%0.102CC..  trans-74.9114.1174.3-68.8176000109.9V133 H143 I151 I163 D203 A206 V207 L210V133-L146 HydrophobicContact CG2-CD1 3.86Å; H143-L146 HydrophobicContact CB-CD2 4.13Å; H143-L146 HydrophobicContact CB-CG 4.01Å; H143-L146 PolarHBondContact ND1-N 2.86Å; L146-I151 HydrophobicContact CD2-CD1 4.43Å; L146-I163 HydrophobicContact CD2-CD1 4.37Å; L146-I163 HydrophobicContact CD2-CG2 3.97Å; L146-D203 HydrophobicContact CD1-CB 3.88Å; L146-A206 HydrophobicContact CB-CB 3.78Å; L146-V207 HydrophobicContact CD1-CG2 4.06Å; L146-L210 HydrophobicContact CB-CD1 4.22Å
147K92.6Very high93.2Very high16 Ų1622 Ų227%0.0714%0.137CC..SBendtrans-156.9164.1-177.452.8179.8170.5-175.20109.7D145 E149 N150 F187D145-K147 VanDerWaalsContact CG-NZ 3.33Å; D145-K147 PolarHBondContact O-N 2.99Å; D145-K147 WeakPolarHBondContact OD1-CE 3.19Å; D145-K147 IonicContact OD1-NZ 3.81Å; D145-K147 PolarHBondContact OD1-NZ 3.36Å; D145-K147 WeakPolarHBondContact OD2-CE 3.44Å; D145-K147 IonicContact OD2-NZ 2.64Å; D145-K147 PolarHBondContact OD2-NZ 3.41Å; K147-E149 VanDerWaalsContact C-N 3.29Å; K147-E149 HydrophobicContact CD-CG 3.49Å; K147-E149 VanDerWaalsContact CD-CG 3.49Å; K147-E149 WeakPolarHBondContact CD-OE1 3.29Å; K147-E149 VanDerWaalsContact CE-CD 3.43Å; K147-E149 VanDerWaalsContact CE-CG 3.48Å; K147-E149 WeakPolarHBondContact CE-OE1 3.42Å; K147-E149 HydrophobicContact CG-CG 3.61Å; K147-E149 IonicContact NZ-OE1 3.11Å; K147-E149 PolarHBondContact NZ-OE1 2.91Å; K147-E149 PolarHBondContact O-N 2.86Å; K147-N150 WeakPolarHBondContact CE-ND2 3.33Å; K147-N150 HydrophobicContact CG-CB 4.26Å; K147-N150 PolarHBondContact O-N 3.26Å; K147-F187 HydrophobicContact CB-CD1 4.41Å; K147-F187 HydrophobicContact CB-CD2 3.66Å; K147-F187 HydrophobicContact CB-CE1 4.46Å; K147-F187 HydrophobicContact CB-CE2 3.72Å; K147-F187 HydrophobicContact CB-CG 4.05Å; K147-F187 HydrophobicContact CB-CZ 4.18Å
148P92.3Very high92.6Very high6 Ų622.8 Ų22.84%0.03915%0.145CC..G310 helixtrans-53.1-41-173.5-33.439.7000114.9F108 N150 I151 F187 L210 F306 I307F108-P148 HydrophobicContact CB-CB 4.05Å; F108-P148 HydrophobicContact CD1-CB 4.4Å; F108-P148 HydrophobicContact CD1-CG 4.35Å; F108-P148 HydrophobicContact CD2-CB 3.6Å; F108-P148 HydrophobicContact CD2-CG 4.14Å; F108-P148 HydrophobicContact CE1-CG 4.44Å; F108-P148 HydrophobicContact CE2-CB 4.14Å; F108-P148 HydrophobicContact CE2-CG 4.27Å; F108-P148 HydrophobicContact CG-CB 3.76Å; F108-P148 HydrophobicContact CG-CG 4.19Å; F108-P148 HydrophobicContact CZ-CG 4.42Å; P148-N150 PolarHBondContact O-N 3.34Å; P148-I151 PolarHBondContact O-N 3.38Å; P148-I151 VanDerWaalsContact O-N 3.14Å; P148-F187 HydrophobicContact CG-CE1 4.37Å; P148-F187 HydrophobicContact CG-CZ 3.84Å; P148-L210 HydrophobicContact CG-CD2 3.76Å; P148-F306 HydrophobicContact CG-CE1 4.21Å; P148-I307 HydrophobicContact CB-CD1 3.99Å
149E89.1Confident92.1Very high41 Ų4126.1 Ų26.119%0.19214%0.142CC..G310 helixtrans-62.8-25.817859.1-172.2-137.700113.3K147 N312K147-E149 VanDerWaalsContact C-N 3.29Å; K147-E149 HydrophobicContact CD-CG 3.49Å; K147-E149 VanDerWaalsContact CD-CG 3.49Å; K147-E149 WeakPolarHBondContact CD-OE1 3.29Å; K147-E149 VanDerWaalsContact CE-CD 3.43Å; K147-E149 VanDerWaalsContact CE-CG 3.48Å; K147-E149 WeakPolarHBondContact CE-OE1 3.42Å; K147-E149 HydrophobicContact CG-CG 3.61Å; K147-E149 IonicContact NZ-OE1 3.11Å; K147-E149 PolarHBondContact NZ-OE1 2.91Å; K147-E149 PolarHBondContact O-N 2.86Å; E149-N312 VanDerWaalsContact OE2-C 3.26Å; E149-N312 WeakPolarHBondContact OE2-CB 3Å
150N94.7Very high92Very high7 Ų728.3 Ų28.34%0.03715%0.15CC..G310 helixtrans-92.94.5179.2-72.7-10.7000113.5D145 K147 P148 I163 I164D145-N150 PolarHBondContact O-ND2 3.1Å; D145-N150 PolarHBondContact OD2-ND2 3.39Å; K147-N150 WeakPolarHBondContact CE-ND2 3.33Å; K147-N150 HydrophobicContact CG-CB 4.26Å; K147-N150 PolarHBondContact O-N 3.26Å; P148-N150 PolarHBondContact O-N 3.34Å; N150-I163 WeakPolarHBondContact O-CA 3.32Å; N150-I164 HydrophobicContact CB-CG1 4.32Å; N150-I164 WeakPolarHBondContact O-CG1 3.47Å; N150-I164 PolarHBondContact O-N 3.06Å
151I96.2Very high92.1Very high0 Ų028.3 Ų28.30%015%0.15CC..EExtended strand (participates in β ladder)trans-114.197.6175.5-51-59000109.3L107 I129 L146 P148 I161 I163 L210L107-I151 HydrophobicContact CB-CG2 3.98Å; L107-I151 WeakPolarHBondContact CB-O 3.22Å; L107-I151 HydrophobicContact CD2-CG2 3.7Å; L107-I151 PolarHBondContact N-O 3.14Å; I129-I151 HydrophobicContact CD1-CD1 4.39Å; I129-I151 HydrophobicContact CD1-CG1 4.33Å; I129-I151 HydrophobicContact CD1-CG2 4.06Å; I129-I151 HydrophobicContact CG1-CD1 4.26Å; I129-I151 HydrophobicContact CG1-CG2 4.13Å; I129-I151 HydrophobicContact CG2-CD1 4.5Å; L146-I151 HydrophobicContact CD2-CD1 4.43Å; P148-I151 PolarHBondContact O-N 3.38Å; P148-I151 VanDerWaalsContact O-N 3.14Å; I151-I161 HydrophobicContact CG2-CB 4.35Å; I151-I161 HydrophobicContact CG2-CD1 4.25Å; I151-I163 HydrophobicContact CD1-CG1 3.92Å; I151-L210 HydrophobicContact CG1-CD1 4.44Å
152M95Very high92.2Very high9 Ų928.5 Ų28.54%0.04415%0.151CC..EExtended strand (participates in β ladder)trans-106.3158.9-177.6-69.6-166.276.300112.5V102 G105 I161 K162 I164 L316V102-M152 HydrophobicContact CB-CE 4.35Å; V102-M152 HydrophobicContact CB-SD 4.27Å; V102-M152 HydrophobicContact CG1-CB 3.46Å; V102-M152 VanDerWaalsContact CG1-CB 3.46Å; V102-M152 HydrophobicContact CG1-CE 3.85Å; V102-M152 HydrophobicContact CG1-CG 4.33Å; V102-M152 HydrophobicContact CG1-SD 3.91Å; G105-M152 CarbonylContact O-C 3.58Å; G105-M152 WeakPolarHBondContact O-CA 3.35Å; M152-I161 CarbonylContact O-C 3.17Å; M152-I161 WeakPolarHBondContact O-CA 3.41Å; M152-K162 PolarHBondContact N-O 2.89Å; M152-K162 PolarHBondContact O-N 3.4Å; M152-I164 HydrophobicContact CB-CG2 4.48Å; M152-I164 HydrophobicContact CG-CD1 3.8Å; M152-I164 HydrophobicContact CG-CG1 4.16Å; M152-I164 HydrophobicContact CG-CG2 4.45Å; M152-I164 HydrophobicContact SD-CD1 3.5Å; M152-I164 VanDerWaalsContact SD-CD1 3.5Å; M152-I164 HydrophobicContact SD-CG1 4.34Å; M152-I164 HydrophobicContact SD-CG2 4.35Å; M152-L316 HydrophobicContact CE-CD1 3.69Å; M152-L316 HydrophobicContact SD-CD1 4.16Å
153I94Very high92.3Very high2 Ų228.5 Ų28.51%0.0115%0.151CC..EExtended strand (participates in β ladder)trans-92.8128171-58.7171.7000108.3V102 G104 G105 L107 R110 D155 K160V102-I153 WeakPolarHBondContact CG1-O 3.39Å; G104-I153 WeakPolarHBondContact CA-O 3.38Å; G104-I153 PolarHBondContact N-O 3.33Å; G105-I153 PolarHBondContact O-N 3.36Å; L107-I153 HydrophobicContact CB-CG1 4.26Å; L107-I153 HydrophobicContact CD1-CD1 4.12Å; L107-I153 HydrophobicContact CD1-CG1 4.12Å; R110-I153 HydrophobicContact CB-CD1 3.8Å; R110-I153 HydrophobicContact CG-CD1 4.02Å; I153-D155 VanDerWaalsContact CG2-O 3.25Å; I153-D155 WeakPolarHBondContact CG2-O 3.49Å; I153-K160 CarbonylContact C-O 3.58Å; I153-K160 WeakPolarHBondContact CA-O 3.43Å
154E92.4Very high92.2Very high55 Ų5530 Ų3026%0.25716%0.159SC..SBendtrans-53-59.3179.5179.9169.7-145.300111.4T103 G104 K160 K162T103-E154 PolarHBondContact N-O 3.28Å; T103-E154 PolarHBondContact OG1-O 3.45Å; G104-E154 PolarHBondContact N-O 3.05Å; E154-K160 HydrophobicContact CB-CB 4.24Å; E154-K160 PolarHBondContact N-O 3.29Å; E154-K162 HydrophobicContact CB-CD 4.16Å; E154-K162 HydrophobicContact CB-CG 4.46Å; E154-K162 HydrophobicContact CG-CD 4.2Å; E154-K162 WeakPolarHBondContact OE1-CE 3.26Å; E154-K162 IonicContact OE1-NZ 2.79Å
155D89.2Confident92.1Very high52 Ų5232.2 Ų32.228%0.27817%0.17SC..  trans-150.5155.8172.170.582.5000109.2I153 A157 S158 R159I153-D155 VanDerWaalsContact CG2-O 3.25Å; I153-D155 WeakPolarHBondContact CG2-O 3.49Å; D155-A157 PolarHBondContact O-N 2.9Å; D155-A157 VanDerWaalsContact OD1-CA 3.29Å; D155-A157 WeakPolarHBondContact OD1-CA 3.39Å; D155-A157 VanDerWaalsContact OD1-CB 3.28Å; D155-A157 WeakPolarHBondContact OD1-CB 3.48Å; D155-A157 PolarHBondContact OD1-N 3.33Å; D155-S158 PolarHBondContact O-N 3.34Å; D155-S158 PolarHBondContact O-OG 3.4Å; D155-S158 PolarHBondContact OD1-N 3.3Å; D155-S158 PolarHBondContact OD1-OG 3.2Å; D155-S158 WeakPolarHBondContact OD2-CB 3.19Å; D155-S158 PolarHBondContact OD2-OG 3.47Å; D155-R159 PolarHBondContact O-N 3Å
156L82.9Confident92.1Very high48 Ų4831.5 Ų31.525%0.25117%0.167SC..THydrogen-bonded Turntrans-64.3-23.4-175.9-63.6176.2000113G104 R110 L350G104-L156 WeakPolarHBondContact O-CD2 3.25Å; R110-L156 HydrophobicContact CG-CD2 4.48Å; R110-L156 VanDerWaalsContact NE-CD2 3.35Å; L156-L350 HydrophobicContact CB-CD1 4.16Å; L156-L350 HydrophobicContact CD2-CD1 4.15Å; L156-L350 HydrophobicContact CD2-CD2 4.1Å; L156-L350 WeakPolarHBondContact O-CD1 3.25Å
157A83.7Confident91.9Very high90 Ų9032.5 Ų32.574%0.74418%0.177SC*.THydrogen-bonded Turntrans-81.8-35-179.300000112.2D155D155-A157 PolarHBondContact O-N 2.9Å; D155-A157 VanDerWaalsContact OD1-CA 3.29Å; D155-A157 WeakPolarHBondContact OD1-CA 3.39Å; D155-A157 VanDerWaalsContact OD1-CB 3.28Å; D155-A157 WeakPolarHBondContact OD1-CB 3.48Å; D155-A157 PolarHBondContact OD1-N 3.33Å
158S84.8Confident91.8Very high39 Ų3934.2 Ų34.227%0.27319%0.187SC..THydrogen-bonded Turntrans-77.5-29.8-175.163.80000113.5D155 K160D155-S158 PolarHBondContact O-N 3.34Å; D155-S158 PolarHBondContact O-OG 3.4Å; D155-S158 PolarHBondContact OD1-N 3.3Å; D155-S158 PolarHBondContact OD1-OG 3.2Å; D155-S158 WeakPolarHBondContact OD2-CB 3.19Å; D155-S158 PolarHBondContact OD2-OG 3.47Å; S158-K160 PolarHBondContact O-N 2.96Å; S158-K160 VanDerWaalsContact O-N 3.1Å; S158-K160 PolarHBondContact OG-N 3.22Å
159R84.8Confident91.9Very high121 Ų12134 Ų3446%0.45719%0.185SC..  trans53.921.9-169.9-56.1-179.6-68.7176.2-4.8112.8Q128 D155 F348 L350Q128-R159 PolarHBondContact NE2-O 3.49Å; D155-R159 PolarHBondContact O-N 3Å; R159-F348 VanDerWaalsContact CD-CD1 3.42Å; R159-F348 HydrophobicContact CG-CD1 4.18Å; R159-F348 HydrophobicContact CG-CE1 4.18Å; R159-L350 HydrophobicContact CG-CD1 4.26Å
160K94.2Very high92Very high78 Ų7833.7 Ų33.734%0.33918%0.182SC..  trans-85.4136.8174.3-70.3-171.9176.1-153.50109.3E80 Q128 I153 E154 S158E80-K160 IonicContact OE2-NZ 3.38Å; E80-K160 PolarHBondContact OE2-NZ 2.85Å; Q128-K160 VanDerWaalsContact OE1-CA 3.31Å; I153-K160 CarbonylContact C-O 3.58Å; I153-K160 WeakPolarHBondContact CA-O 3.43Å; E154-K160 HydrophobicContact CB-CB 4.24Å; E154-K160 PolarHBondContact N-O 3.29Å; S158-K160 PolarHBondContact O-N 2.96Å; S158-K160 VanDerWaalsContact O-N 3.1Å; S158-K160 PolarHBondContact OG-N 3.22Å
161I96.1Very high92Very high0 Ų035.8 Ų35.80%020%0.196CC..EExtended strand (participates in β ladder)trans-96.8148.9174.273.194.9000109.9N81 L107 F125 Q128 I129 I151 M152 I163N81-I161 VanDerWaalsContact CA-O 3.28Å; N81-I161 WeakPolarHBondContact CA-O 3.07Å; N81-I161 HydrophobicContact CB-CD1 4.24Å; N81-I161 PolarHBondContact ND2-O 3.05Å; L107-I161 HydrophobicContact CD1-CG2 4.23Å; L107-I161 HydrophobicContact CD2-CG2 4.23Å; F125-I161 HydrophobicContact CD1-CG2 3.72Å; F125-I161 HydrophobicContact CE1-CG2 4.28Å; Q128-I161 HydrophobicContact CB-CD1 4.11Å; Q128-I161 HydrophobicContact CB-CG1 3.41Å; Q128-I161 VanDerWaalsContact CB-CG1 3.41Å; Q128-I161 HydrophobicContact CG-CG1 4.4Å; I129-I161 HydrophobicContact CG1-CD1 3.83Å; I129-I161 HydrophobicContact CG1-CG1 4.46Å; I151-I161 HydrophobicContact CG2-CB 4.35Å; I151-I161 HydrophobicContact CG2-CD1 4.25Å; M152-I161 CarbonylContact O-C 3.17Å; M152-I161 WeakPolarHBondContact O-CA 3.41Å; I161-I163 HydrophobicContact CD1-CG1 4.29Å
162K97.1Very high91.8Very high4 Ų436.9 Ų36.92%0.01720%0.201CC..EExtended strand (participates in β ladder)trans-126.2129.2169.6-76.3177175.8-81.30109.2E80 I82 D100 V102 M152 E154E80-K162 PolarHBondContact O-NZ 3.42Å; I82-K162 PolarHBondContact O-NZ 3.45Å; D100-K162 IonicContact OD2-NZ 3.11Å; D100-K162 PolarHBondContact OD2-NZ 3.34Å; V102-K162 HydrophobicContact CG2-CB 4.42Å; V102-K162 HydrophobicContact CG2-CD 3.81Å; M152-K162 PolarHBondContact N-O 2.89Å; M152-K162 PolarHBondContact O-N 3.4Å; E154-K162 HydrophobicContact CB-CD 4.16Å; E154-K162 HydrophobicContact CB-CG 4.46Å; E154-K162 HydrophobicContact CG-CD 4.2Å; E154-K162 WeakPolarHBondContact OE1-CE 3.26Å; E154-K162 IonicContact OE1-NZ 2.79Å
163I98Very high91.2Very high0 Ų040 Ų400%022%0.218CC..EExtended strand (participates in β ladder)trans-74.8128.7166.4-58172.9000107.4N81 V83 V133 M136 H143 L146 N150 I151 I161 F166N81-I163 PolarHBondContact O-N 3.16Å; V83-I163 PolarHBondContact N-O 3.09Å; V133-I163 HydrophobicContact CG2-CD1 4.33Å; M136-I163 HydrophobicContact CE-CD1 4.03Å; H143-I163 WeakPolarHBondContact NE2-CG2 3.35Å; L146-I163 HydrophobicContact CD2-CD1 4.37Å; L146-I163 HydrophobicContact CD2-CG2 3.97Å; N150-I163 WeakPolarHBondContact O-CA 3.32Å; I151-I163 HydrophobicContact CD1-CG1 3.92Å; I161-I163 HydrophobicContact CD1-CG1 4.29Å; I163-F166 HydrophobicContact CG2-CE2 4.33Å; I163-F166 HydrophobicContact CG2-CZ 4.19Å
164I95.3Very high90.4Very high33 Ų3345.2 Ų45.217%0.16925%0.252CS..  trans-121168.4-179.665.2154.3000110.8V83 H143 N150 M152V83-I164 HydrophobicContact CB-CG2 4.17Å; V83-I164 HydrophobicContact CG1-CG2 4.46Å; H143-I164 PolarHBondContact NE2-O 3.41Å; N150-I164 HydrophobicContact CB-CG1 4.32Å; N150-I164 WeakPolarHBondContact O-CG1 3.47Å; N150-I164 PolarHBondContact O-N 3.06Å; M152-I164 HydrophobicContact CB-CG2 4.48Å; M152-I164 HydrophobicContact CG-CD1 3.8Å; M152-I164 HydrophobicContact CG-CG1 4.16Å; M152-I164 HydrophobicContact CG-CG2 4.45Å; M152-I164 HydrophobicContact SD-CD1 3.5Å; M152-I164 VanDerWaalsContact SD-CD1 3.5Å; M152-I164 HydrophobicContact SD-CG1 4.34Å; M152-I164 HydrophobicContact SD-CG2 4.35Å
165D92.3Very high89.8Confident59 Ų5950.2 Ų50.232%0.31628%0.281SS..  trans61.795.1175.2-160.212.7000116.6K48 H143K48-D165 IonicContact NZ-OD1 3.71Å; K48-D165 PolarHBondContact NZ-OD1 3.32Å; H143-D165 PolarHBondContact CE1-O 2.95Å; H143-D165 VanDerWaalsContact CE1-O 3.22Å; H143-D165 PolarHBondContact NE2-O 3.2Å; H143-D165 VanDerWaalsContact NE2-O 3.15Å
166F94.4Very high89.3Confident0 Ų054.1 Ų54.10%030%0.297CS..  trans-104.616.2-174.9-75.2-104.4000112.9E70 I73 L74 L77 I82 V83 M136 H143 I163 L168 A169E70-F166 HydrophobicContact CG-CB 4.12Å; I73-F166 HydrophobicContact CG2-CD1 4.03Å; L74-F166 HydrophobicContact CD2-CB 4.08Å; L74-F166 HydrophobicContact CD2-CD1 4.41Å; L74-F166 HydrophobicContact CD2-CD2 3.47Å; L74-F166 VanDerWaalsContact CD2-CD2 3.47Å; L74-F166 HydrophobicContact CD2-CE2 4Å; L74-F166 HydrophobicContact CD2-CG 3.72Å; L74-F166 HydrophobicContact CG-CB 4.08Å; L74-F166 HydrophobicContact CG-CD2 4.39Å; L74-F166 HydrophobicContact CG-CG 4.25Å; L77-F166 HydrophobicContact CD1-CD1 3.63Å; L77-F166 HydrophobicContact CD1-CE1 3.22Å; L77-F166 HydrophobicContact CD1-CZ 3.89Å; I82-F166 HydrophobicContact CG2-CE1 4.39Å; I82-F166 HydrophobicContact CG2-CE2 3.8Å; I82-F166 HydrophobicContact CG2-CZ 3.45Å; I82-F166 VanDerWaalsContact CG2-CZ 3.45Å; V83-F166 HydrophobicContact CG1-CD2 4.28Å; V83-F166 HydrophobicContact CG1-CE2 4.05Å; M136-F166 HydrophobicContact CG-CE1 4.39Å; M136-F166 HydrophobicContact SD-CE1 3.45Å; M136-F166 WeakPolarHBondContact SD-CE1 3.36Å; M136-F166 HydrophobicContact SD-CZ 3.94Å; H143-F166 AromaticContact CD2-CE1 3.78Å; H143-F166 AromaticContact CD2-CZ 3.89Å; I163-F166 HydrophobicContact CG2-CE2 4.33Å; I163-F166 HydrophobicContact CG2-CZ 4.19Å; F166-L168 PolarHBondContact O-N 3.22Å; F166-A169 HydrophobicContact CB-CB 4.05Å; F166-A169 HydrophobicContact CD1-CB 3.86Å; F166-A169 HydrophobicContact CG-CB 4.43Å; F166-A169 VanDerWaalsContact O-CB 3.26Å; F166-A169 WeakPolarHBondContact O-CB 3.37Å; F166-A169 PolarHBondContact O-N 2.94Å
167G90.2Very high89Confident22 Ų2256.1 Ų56.123%0.22732%0.315CS..THydrogen-bonded Turntrans-58.7-31.7-176.800000114R69R69-G167 PolarHBondContact NH2-O 2.99Å
168L90.7Very high88.9Confident53 Ų5354.7 Ų54.728%0.27729%0.292SS..THydrogen-bonded Turntrans-93.3-5.3176.1-64.8-178.1000114H143 L144 D145 F166 R170 A182H143-L168 CarbonylContact O-C 3.3Å; L144-L168 HydrophobicContact CB-CB 4.39Å; D145-L168 HydrophobicContact CB-CB 4.24Å; D145-L168 HydrophobicContact CB-CD1 3.79Å; D145-L168 HydrophobicContact CB-CG 4.43Å; F166-L168 PolarHBondContact O-N 3.22Å; L168-R170 VanDerWaalsContact C-NH1 3.3Å; L168-R170 PolarHBondContact O-NH1 2.76Å; L168-A182 HydrophobicContact CD1-CB 4.17Å; L168-A182 HydrophobicContact CD2-CB 4.39Å
169A94Very high88.7Confident0 Ų057.6 Ų57.60%030%0.301CS..  trans-63.2148.8-177.400000111.9R69 I73 I141 V142 H143 F166R69-A169 PolarHBondContact NE-O 2.99Å; I73-A169 HydrophobicContact CD1-CB 3.82Å; I73-A169 WeakPolarHBondContact CD1-O 3.45Å; I73-A169 HydrophobicContact CG2-CB 4.12Å; I141-A169 HydrophobicContact CG2-CB 4.5Å; V142-A169 CarbonylContact O-C 3.55Å; V142-A169 WeakPolarHBondContact O-CA 3.19Å; V142-A169 WeakPolarHBondContact O-CB 3.32Å; H143-A169 PolarHBondContact O-N 2.96Å; F166-A169 HydrophobicContact CB-CB 4.05Å; F166-A169 HydrophobicContact CD1-CB 3.86Å; F166-A169 HydrophobicContact CG-CB 4.43Å; F166-A169 VanDerWaalsContact O-CB 3.26Å; F166-A169 WeakPolarHBondContact O-CB 3.37Å; F166-A169 PolarHBondContact O-N 2.94Å
170R92.9Very high88.3Confident35 Ų3554.5 Ų54.513%0.13229%0.294CS..EExtended strand (participates in β ladder)trans-140.6148-179.8-65.5-64.5-177.2-79.73.2110.8D66 I141 V142 L144 L168 F178D66-R170 IonicContact OD1-NH2 2.61Å; I141-R170 WeakPolarHBondContact CA-O 3.35Å; V142-R170 HydrophobicContact CG2-CB 4.13Å; V142-R170 WeakPolarHBondContact CG2-O 3.49Å; V142-R170 PolarHBondContact N-O 2.96Å; V142-R170 PolarHBondContact O-N 3.44Å; L144-R170 HydrophobicContact CD1-CB 4.47Å; L144-R170 HydrophobicContact CD1-CG 4.05Å; L168-R170 VanDerWaalsContact C-NH1 3.3Å; L168-R170 PolarHBondContact O-NH1 2.76Å; R170-F178 HydrophobicContact CG-CD1 4.28Å; R170-F178 HydrophobicContact CG-CE1 3.82Å; R170-F178 HydrophobicContact CG-CZ 4.01Å
171V93.6Very high87.3Confident52 Ų5253.4 Ų53.432%0.31529%0.291SS..EExtended strand (participates in β ladder)trans-86.2121.9165.9-174.50000107.4L4 I73 I141 N173L4-V171 HydrophobicContact CD1-CB 4.48Å; L4-V171 HydrophobicContact CD1-CG1 4.1Å; L4-V171 HydrophobicContact CD1-CG2 3.5Å; L4-V171 VanDerWaalsContact CD1-CG2 3.5Å; I73-V171 HydrophobicContact CD1-CG2 4.44Å; I73-V171 HydrophobicContact CG1-CG2 4.19Å; I141-V171 HydrophobicContact CG1-CG2 4.22Å; V171-N173 PolarHBondContact O-N 2.61Å
172L91.3Very high85.9Confident22 Ų2253.8 Ų53.812%0.11529%0.294CS..  trans-83106.9177.3-65.5-171.2000110.2G140 V142 I198 F200G140-L172 PolarHBondContact O-N 3.2Å; V142-L172 HydrophobicContact CG1-CD1 3.53Å; V142-L172 HydrophobicContact CG1-CG 3.92Å; V142-L172 HydrophobicContact CG2-CD1 4.22Å; V142-L172 HydrophobicContact CG2-CD2 3.8Å; V142-L172 HydrophobicContact CG2-CG 3.82Å; L172-I198 HydrophobicContact CD2-CG2 4.45Å; L172-F200 HydrophobicContact CB-CE1 4.44Å; L172-F200 HydrophobicContact CB-CZ 4.14Å; L172-F200 HydrophobicContact CD1-CD1 4.08Å; L172-F200 HydrophobicContact CD1-CD2 4.5Å; L172-F200 HydrophobicContact CD1-CE1 3.87Å; L172-F200 HydrophobicContact CD1-CE2 4.32Å; L172-F200 HydrophobicContact CD1-CG 4.36Å; L172-F200 HydrophobicContact CD1-CZ 3.98Å; L172-F200 HydrophobicContact CG-CE1 4.35Å; L172-F200 HydrophobicContact CG-CZ 4.47Å
173N83.1Confident84.4Confident76 Ų7655.2 Ų55.241%0.40631%0.31SS..  trans-79.1123.9170.3-69-34.4000109.4V171 N175 E176V171-N173 PolarHBondContact O-N 2.61Å; N173-N175 PolarHBondContact O-N 3.37Å; N173-E176 HydrophobicContact CB-CB 4.06Å; N173-E176 HydrophobicContact CB-CG 4.07Å; N173-E176 PolarHBondContact ND2-OE2 2.81Å; N173-E176 PolarHBondContact O-N 3.33Å; N173-E176 VanDerWaalsContact O-O 3.05Å
174P78.4Confident83.3Confident110 Ų11056.3 Ų56.371%0.71432%0.317SS*.THydrogen-bonded Turntrans-58.2-20.2179.2-26.234.7000114.7M1M1-P174 HydrophobicContact CG-CG 4.48Å
175N78.6Confident82.7Confident161 Ų16156.3 Ų56.386%0.86132%0.319SS*.THydrogen-bonded Turntrans-92.1-6.4-178.6-61-23000113.2N173N173-N175 PolarHBondContact O-N 3.37Å
176E78.7Confident82.3Confident133 Ų13354.4 Ų54.462%0.62131%0.308SS*.  trans-123.7129.8-174.8-61.5176.516600109.6N173N173-E176 HydrophobicContact CB-CB 4.06Å; N173-E176 HydrophobicContact CB-CG 4.07Å; N173-E176 PolarHBondContact ND2-OE2 2.81Å; N173-E176 PolarHBondContact O-N 3.33Å; N173-E176 VanDerWaalsContact O-O 3.05Å
177S77.1Confident82Confident90 Ų9055.1 Ų55.163%0.62931%0.311SS*.  trans-89.7113.3168.656.90000108.8
178F80.4Confident82Confident60 Ų6054.5 Ų54.526%0.26330%0.303SS..  trans-92127.5172.6-175.5-109.4000109.7L144 R170 D180 I198L144-F178 HydrophobicContact CD1-CE1 4.01Å; R170-F178 HydrophobicContact CG-CD1 4.28Å; R170-F178 HydrophobicContact CG-CE1 3.82Å; R170-F178 HydrophobicContact CG-CZ 4.01Å; F178-D180 HydrophobicContact CD1-CB 4.44Å; F178-D180 HydrophobicContact CE1-CB 3.55Å; F178-D180 HydrophobicContact CE2-CB 4.33Å; F178-D180 HydrophobicContact CZ-CB 3.48Å; F178-D180 VanDerWaalsContact CZ-CB 3.48Å; F178-I198 HydrophobicContact CD1-CB 4.28Å; F178-I198 HydrophobicContact CD1-CD1 3.54Å; F178-I198 HydrophobicContact CD1-CG1 4.44Å; F178-I198 HydrophobicContact CE1-CD1 3.68Å; F178-I198 WeakPolarHBondContact O-CB 3.36Å; F178-I198 PolarHBondContact O-N 3.5Å
179Q82.6Confident82.2Confident100 Ų10052 Ų5247%0.46729%0.29SS..  trans-130121.9176.4-70.2169.6-43.500106.9F195Q179-F195 PolarHBondContact NE2-O 2.8Å
180D74.8Confident82.2Confident56 Ų5652.1 Ų52.130%0.29929%0.291SS..  trans-148.4147.4179.9-163.10.2000109.9F178 A182 I198F178-D180 HydrophobicContact CD1-CB 4.44Å; F178-D180 HydrophobicContact CE1-CB 3.55Å; F178-D180 HydrophobicContact CE2-CB 4.33Å; F178-D180 HydrophobicContact CZ-CB 3.48Å; F178-D180 VanDerWaalsContact CZ-CB 3.48Å; D180-A182 VanDerWaalsContact C-N 3.32Å; D180-A182 HydrophobicContact CB-CB 4.5Å; D180-A182 PolarHBondContact O-N 2.8Å; D180-I198 HydrophobicContact CB-CD1 4.1Å
181M74.1Confident82.2Confident55 Ų5550.6 Ų50.627%0.27129%0.285SS..  trans-94.369.4172.1-110-167.217100108.7F195 K415 F709M181-F195 HydrophobicContact CB-CE1 4.16Å; M181-F195 HydrophobicContact CB-CE2 4.43Å; M181-F195 HydrophobicContact CB-CZ 3.74Å; M181-F195 HydrophobicContact CE-CD2 4Å; M181-F195 HydrophobicContact CE-CE2 3.34Å; M181-F195 HydrophobicContact CE-CZ 4.1Å; M181-F195 HydrophobicContact CG-CD2 4.29Å; M181-F195 HydrophobicContact CG-CE1 3.94Å; M181-F195 HydrophobicContact CG-CE2 3.46Å; M181-F195 VanDerWaalsContact CG-CE2 3.46Å; M181-F195 HydrophobicContact CG-CZ 3.26Å; M181-F195 HydrophobicContact SD-CD2 4.4Å; M181-F195 HydrophobicContact SD-CE2 3.28Å; M181-F195 WeakPolarHBondContact SD-CE2 3.18Å; M181-F195 HydrophobicContact SD-CZ 3.41Å; M181-F195 WeakPolarHBondContact SD-CZ 3.33Å; M181-K415 VanDerWaalsContact SD-CE 3.58Å; M181-F709 HydrophobicContact CE-CZ 3.89Å
182A66.9Low82.2Confident9 Ų948.5 Ų48.57%0.07427%0.272CS..  trans-105.5156-179.100000112.1L168 D180 C188L168-A182 HydrophobicContact CD1-CB 4.17Å; L168-A182 HydrophobicContact CD2-CB 4.39Å; D180-A182 VanDerWaalsContact C-N 3.32Å; D180-A182 HydrophobicContact CB-CB 4.5Å; D180-A182 PolarHBondContact O-N 2.8Å; A182-C188 PolarHBondContact O-SG 3.35Å
183G64.8Low82.1Confident34 Ų3448.1 Ų48.135%0.35127%0.271SS..SBendtrans96.5174.3173.100000115.4
184T75.9Confident82.5Confident23 Ų2347.3 Ų47.314%0.14127%0.266CS..  trans-82.4131.6176.9-56.20000109.5E186 F187 C188T184-E186 VanDerWaalsContact C-N 3.25Å; T184-E186 HydrophobicContact CG2-CG 4.26Å; T184-E186 PolarHBondContact O-N 3.3Å; T184-F187 HydrophobicContact CG2-CD2 4.38Å; T184-F187 PolarHBondContact O-N 3.06Å; T184-C188 PolarHBondContact O-N 3.42Å; T184-C188 PolarHBondContact O-SG 3.28Å; T184-C188 VanDerWaalsContact O-SG 3.34Å
185P81Confident83Confident33 Ų3345.2 Ų45.221%0.21425%0.246CC..THydrogen-bonded Turntrans-47.5-39.8-168.1-33.736.3000116.2F187 C188 Q226 F230 I233P185-F187 VanDerWaalsContact C-N 3.33Å; P185-F187 PolarHBondContact O-N 2.82Å; P185-C188 WeakPolarHBondContact O-CB 3.42Å; P185-C188 PolarHBondContact O-N 2.98Å; P185-Q226 HydrophobicContact CG-CG 4.47Å; P185-F230 HydrophobicContact CB-CD1 4.47Å; P185-F230 HydrophobicContact CB-CE1 3.62Å; P185-F230 HydrophobicContact CB-CZ 3.71Å; P185-F230 HydrophobicContact CG-CE1 4.32Å; P185-F230 HydrophobicContact CG-CZ 3.95Å; P185-I233 WeakPolarHBondContact O-CD1 3.48Å
186E84.1Confident83.6Confident18 Ų1840.8 Ų40.88%0.08422%0.222CC..THydrogen-bonded Turntrans-72.3-22.1-176.369.6-175.4126.300114.4T184 T229 F306T184-E186 VanDerWaalsContact C-N 3.25Å; T184-E186 HydrophobicContact CG2-CG 4.26Å; T184-E186 PolarHBondContact O-N 3.3Å; E186-T229 HydrophobicContact CB-CG2 4.33Å; E186-F306 WeakPolarHBondContact OE2-CE2 3.48Å; E186-F306 WeakPolarHBondContact OE2-CZ 3.49Å
187F89.8Confident84.2Confident16 Ų1637.3 Ų37.37%0.0721%0.211CC..THydrogen-bonded Turntrans-100.1-7.8177.9-60.7-79000112.2K147 P148 T184 P185 A189 V209 L210 I213 F306K147-F187 HydrophobicContact CB-CD1 4.41Å; K147-F187 HydrophobicContact CB-CD2 3.66Å; K147-F187 HydrophobicContact CB-CE1 4.46Å; K147-F187 HydrophobicContact CB-CE2 3.72Å; K147-F187 HydrophobicContact CB-CG 4.05Å; K147-F187 HydrophobicContact CB-CZ 4.18Å; P148-F187 HydrophobicContact CG-CE1 4.37Å; P148-F187 HydrophobicContact CG-CZ 3.84Å; T184-F187 HydrophobicContact CG2-CD2 4.38Å; T184-F187 PolarHBondContact O-N 3.06Å; P185-F187 VanDerWaalsContact C-N 3.33Å; P185-F187 PolarHBondContact O-N 2.82Å; F187-A189 PolarHBondContact O-N 3.25Å; F187-V209 HydrophobicContact CD1-CB 4.07Å; F187-V209 HydrophobicContact CD1-CG1 3.6Å; F187-V209 HydrophobicContact CE1-CB 4.42Å; F187-V209 HydrophobicContact CE1-CG1 3.65Å; F187-L210 HydrophobicContact CE1-CD2 4.05Å; F187-L210 HydrophobicContact CE1-CG 4.3Å; F187-I213 HydrophobicContact CE1-CD1 3.69Å; F187-I213 HydrophobicContact CZ-CD1 3.79Å; F187-F306 HydrophobicContact CZ-CZ 4.21Å
188C89.7Confident84.9Confident9 Ų933.5 Ų33.56%0.06118%0.184CC..  trans-64.2131.6178.2-67.70000110.9A182 T184 P185 I192 V193 W205A182-C188 PolarHBondContact O-SG 3.35Å; T184-C188 PolarHBondContact O-N 3.42Å; T184-C188 PolarHBondContact O-SG 3.28Å; T184-C188 VanDerWaalsContact O-SG 3.34Å; P185-C188 WeakPolarHBondContact O-CB 3.42Å; P185-C188 PolarHBondContact O-N 2.98Å; C188-I192 HydrophobicContact CB-CB 4.44Å; C188-I192 HydrophobicContact CB-CG2 4.29Å; C188-V193 HydrophobicContact CB-CG2 4.22Å; C188-W205 PolarHBondContact O-NE1 3.41Å; C188-W205 VanDerWaalsContact O-NE1 3.13Å
189A93.7Very high85.6Confident0 Ų033 Ų330%019%0.186CC..  trans-74.2156174.700000111.5F187 E191 I192 V193 T202 W205F187-A189 PolarHBondContact O-N 3.25Å; A189-E191 HydrophobicContact CB-CG 4.03Å; A189-E191 WeakPolarHBondContact CB-OE1 3.38Å; A189-E191 WeakPolarHBondContact CB-OE2 2.98Å; A189-E191 PolarHBondContact O-N 3.4Å; A189-E191 VanDerWaalsContact O-N 3.13Å; A189-I192 WeakPolarHBondContact O-CB 3.47Å; A189-I192 PolarHBondContact O-N 3.09Å; A189-V193 PolarHBondContact O-N 2.81Å; A189-T202 HydrophobicContact CB-CG2 3.97Å; A189-W205 HydrophobicContact CB-CB 3.73Å; A189-W205 HydrophobicContact CB-CD2 4.28Å; A189-W205 HydrophobicContact CB-CG 3.69Å
190P94.5Very high86.2Confident2 Ų231 Ų311%0.01318%0.176CC..Hα-helixtrans-56.6-31.9179.1-24.833.4000113.4V193 N194 W205 I233 K262P190-V193 PolarHBondContact O-N 3.29Å; P190-N194 WeakPolarHBondContact O-CB 3.18Å; P190-N194 PolarHBondContact O-N 3.25Å; P190-N194 PolarHBondContact O-ND2 2.8Å; P190-W205 HydrophobicContact CG-CD2 4.5Å; P190-W205 HydrophobicContact CG-CE3 4.1Å; P190-W205 HydrophobicContact CG-CH2 3.53Å; P190-W205 HydrophobicContact CG-CZ2 3.98Å; P190-W205 HydrophobicContact CG-CZ3 3.61Å; P190-I233 HydrophobicContact CB-CG2 4.27Å; P190-I233 HydrophobicContact CG-CG2 3.86Å; P190-K262 HydrophobicContact CB-CG 4.42Å
191E94Very high87.3Confident3 Ų329 Ų291%0.01417%0.167CC..Hα-helixtrans-65.6-36174.458.7-93.1-149.400113A189 N194 F195 D196 T202 R267A189-E191 HydrophobicContact CB-CG 4.03Å; A189-E191 WeakPolarHBondContact CB-OE1 3.38Å; A189-E191 WeakPolarHBondContact CB-OE2 2.98Å; A189-E191 PolarHBondContact O-N 3.4Å; A189-E191 VanDerWaalsContact O-N 3.13Å; E191-N194 PolarHBondContact O-N 3.36Å; E191-F195 PolarHBondContact O-N 2.87Å; E191-F195 VanDerWaalsContact O-N 3.13Å; E191-D196 HydrophobicContact CB-CB 3.9Å; E191-D196 PolarHBondContact O-N 2.79Å; E191-T202 VanDerWaalsContact OE1-CA 3.28Å; E191-T202 WeakPolarHBondContact OE1-CA 3.46Å; E191-T202 PolarHBondContact OE1-N 3.27Å; E191-T202 PolarHBondContact OE1-OG1 2.9Å; E191-R267 IonicContact OE1-CZ 3.79Å; E191-R267 IonicContact OE1-NH1 3.43Å; E191-R267 PolarHBondContact OE1-NH1 3.23Å; E191-R267 IonicContact OE1-NH2 3.94Å; E191-R267 IonicContact OE2-CZ 3.81Å; E191-R267 IonicContact OE2-NH1 2.72Å; E191-R267 PolarHBondContact OE2-NH1 3.18Å; E191-R267 IonicContact OE2-NH2 2.89Å; E191-R267 PolarHBondContact OE2-NH2 3.05Å
192I91.7Very high88.3Confident8 Ų826.7 Ų26.74%0.04116%0.156CC..Hα-helixtrans-65.9-46.4173.9-66.7177.7000109.4C188 A189 N194 F195 I198 T202C188-I192 HydrophobicContact CB-CB 4.44Å; C188-I192 HydrophobicContact CB-CG2 4.29Å; A189-I192 WeakPolarHBondContact O-CB 3.47Å; A189-I192 PolarHBondContact O-N 3.09Å; I192-N194 VanDerWaalsContact C-N 3.28Å; I192-N194 PolarHBondContact O-N 3.14Å; I192-F195 PolarHBondContact O-N 3.12Å; I192-F195 VanDerWaalsContact O-N 3.09Å; I192-I198 HydrophobicContact CG1-CG1 4.36Å; I192-T202 HydrophobicContact CD1-CG2 3.48Å; I192-T202 VanDerWaalsContact CD1-CG2 3.48Å; I192-T202 HydrophobicContact CG1-CG2 3.84Å
193V90.5Very high89.8Confident14 Ų1426.3 Ų26.39%0.08515%0.152CC..Hα-helixtrans-63.5-35.7-179.3-1750000111.6C188 A189 P190 F195 F230 I233 L234C188-V193 HydrophobicContact CB-CG2 4.22Å; A189-V193 PolarHBondContact O-N 2.81Å; P190-V193 PolarHBondContact O-N 3.29Å; V193-F195 VanDerWaalsContact C-N 3.32Å; V193-F230 HydrophobicContact CG1-CB 4Å; V193-F230 HydrophobicContact CG1-CD1 4.12Å; V193-F230 HydrophobicContact CG1-CG 4.19Å; V193-F230 HydrophobicContact CG2-CD1 3.74Å; V193-F230 HydrophobicContact CG2-CE1 4.23Å; V193-I233 HydrophobicContact CG2-CG2 3.99Å; V193-L234 HydrophobicContact CB-CD2 4.01Å; V193-L234 HydrophobicContact CB-CG 4.39Å; V193-L234 HydrophobicContact CG1-CD1 3.9Å; V193-L234 HydrophobicContact CG1-CD2 3.81Å; V193-L234 HydrophobicContact CG1-CG 3.77Å
194N90.6Very high91.4Very high60 Ų6024.7 Ų24.732%0.32114%0.136SC..THydrogen-bonded Turntrans-82-3.5176.5-75-55.4000114.5P190 E191 I192 D196 L234P190-N194 WeakPolarHBondContact O-CB 3.18Å; P190-N194 PolarHBondContact O-N 3.25Å; P190-N194 PolarHBondContact O-ND2 2.8Å; E191-N194 PolarHBondContact O-N 3.36Å; I192-N194 VanDerWaalsContact C-N 3.28Å; I192-N194 PolarHBondContact O-N 3.14Å; N194-D196 PolarHBondContact O-N 3.08Å; N194-L234 WeakPolarHBondContact ND2-CD2 3.11Å; N194-L234 WeakPolarHBondContact OD1-CD2 2.81Å
195F88.8Confident92.4Very high65 Ų6523.6 Ų23.629%0.28513%0.129SC..THydrogen-bonded Turntrans54.634.4-167.4-82.3-89.7000113Q179 M181 E191 I192 V193 F709Q179-F195 PolarHBondContact NE2-O 2.8Å; M181-F195 HydrophobicContact CB-CE1 4.16Å; M181-F195 HydrophobicContact CB-CE2 4.43Å; M181-F195 HydrophobicContact CB-CZ 3.74Å; M181-F195 HydrophobicContact CE-CD2 4Å; M181-F195 HydrophobicContact CE-CE2 3.34Å; M181-F195 HydrophobicContact CE-CZ 4.1Å; M181-F195 HydrophobicContact CG-CD2 4.29Å; M181-F195 HydrophobicContact CG-CE1 3.94Å; M181-F195 HydrophobicContact CG-CE2 3.46Å; M181-F195 VanDerWaalsContact CG-CE2 3.46Å; M181-F195 HydrophobicContact CG-CZ 3.26Å; M181-F195 HydrophobicContact SD-CD2 4.4Å; M181-F195 HydrophobicContact SD-CE2 3.28Å; M181-F195 WeakPolarHBondContact SD-CE2 3.18Å; M181-F195 HydrophobicContact SD-CZ 3.41Å; M181-F195 WeakPolarHBondContact SD-CZ 3.33Å; E191-F195 PolarHBondContact O-N 2.87Å; E191-F195 VanDerWaalsContact O-N 3.13Å; I192-F195 PolarHBondContact O-N 3.12Å; I192-F195 VanDerWaalsContact O-N 3.09Å; V193-F195 VanDerWaalsContact C-N 3.32Å; F195-F709 AromaticContact CD2-CE1 3.96Å; F195-F709 HydrophobicContact CD2-CE1 3.96Å; F195-F709 AromaticContact CD2-CZ 3.74Å; F195-F709 HydrophobicContact CD2-CZ 3.74Å; F195-F709 AromaticContact CE2-CE1 3.4Å; F195-F709 HydrophobicContact CE2-CE1 3.4Å; F195-F709 VanDerWaalsContact CE2-CE1 3.4Å; F195-F709 AromaticContact CE2-CZ 3.47Å; F195-F709 HydrophobicContact CE2-CZ 3.47Å; F195-F709 VanDerWaalsContact CE2-CZ 3.47Å; F195-F709 HydrophobicContact CZ-CE1 4.3Å
196D91.6Very high93.2Very high68 Ų6822.3 Ų22.336%0.36412%0.121SC..PPolyproline II helixtrans-79.2159168.8-71.1-35.2000110.1E191 N194 I198E191-D196 HydrophobicContact CB-CB 3.9Å; E191-D196 PolarHBondContact O-N 2.79Å; N194-D196 PolarHBondContact O-N 3.08Å; D196-I198 PolarHBondContact O-N 2.85Å
197P91.1Very high93.8Very high60 Ų6021.5 Ų21.539%0.3912%0.118SC..PPolyproline II helixtrans-56.9130.9179.7-26.435.5000112.9
198I92.6Very high94.2Very high10 Ų1020.8 Ų20.85%0.05111%0.114CC..PPolyproline II helixtrans-67.3141.8176.2-71.2167.1000109.9V142 L144 L172 F178 D180 I192 D196V142-I198 HydrophobicContact CG2-CG2 4.47Å; L144-I198 HydrophobicContact CD1-CD1 4.29Å; L144-I198 HydrophobicContact CD1-CG2 4.36Å; L144-I198 HydrophobicContact CD2-CG2 3.48Å; L144-I198 VanDerWaalsContact CD2-CG2 3.48Å; L172-I198 HydrophobicContact CD2-CG2 4.45Å; F178-I198 HydrophobicContact CD1-CB 4.28Å; F178-I198 HydrophobicContact CD1-CD1 3.54Å; F178-I198 HydrophobicContact CD1-CG1 4.44Å; F178-I198 HydrophobicContact CE1-CD1 3.68Å; F178-I198 WeakPolarHBondContact O-CB 3.36Å; F178-I198 PolarHBondContact O-N 3.5Å; D180-I198 HydrophobicContact CB-CD1 4.1Å; I192-I198 HydrophobicContact CG1-CG1 4.36Å; D196-I198 PolarHBondContact O-N 2.85Å
199T94Very high94.5Very high50 Ų5020.3 Ų20.331%0.30711%0.111SC..  trans-140.7173.8179.866.50000110.9A201 T202T199-A201 PolarHBondContact O-N 2.93Å; T199-A201 VanDerWaalsContact O-N 3.15Å; T199-A201 WeakPolarHBondContact OG1-CB 3.46Å; T199-A201 PolarHBondContact OG1-N 3.13Å; T199-T202 PolarHBondContact N-OG1 2.98Å; T199-T202 WeakPolarHBondContact O-CB 3.46Å; T199-T202 PolarHBondContact O-N 2.96Å; T199-T202 PolarHBondContact O-OG1 3.16Å; T199-T202 VanDerWaalsContact O-OG1 3.1Å
200F96.3Very high94.7Very high59 Ų5920.5 Ų20.526%0.25911%0.112SC..Hα-helixtrans-55.2-30170.4-59.6-61.1000113.4M1 H137 V142 L172 T202 D203M1-F200 HydrophobicContact CE-CE2 3.83Å; M1-F200 HydrophobicContact CE-CZ 3.56Å; H137-F200 HydrophobicContact CB-CD1 4.05Å; H137-F200 AromaticContact CD2-CD1 3.66Å; H137-F200 PolarHBondContact CE1-O 3.22Å; H137-F200 AromaticContact CG-CD1 3.69Å; V142-F200 HydrophobicContact CG1-CD1 3.49Å; V142-F200 VanDerWaalsContact CG1-CD1 3.49Å; V142-F200 HydrophobicContact CG1-CE1 3.91Å; V142-F200 HydrophobicContact CG1-CG 4.37Å; L172-F200 HydrophobicContact CB-CE1 4.44Å; L172-F200 HydrophobicContact CB-CZ 4.14Å; L172-F200 HydrophobicContact CD1-CD1 4.08Å; L172-F200 HydrophobicContact CD1-CD2 4.5Å; L172-F200 HydrophobicContact CD1-CE1 3.87Å; L172-F200 HydrophobicContact CD1-CE2 4.32Å; L172-F200 HydrophobicContact CD1-CG 4.36Å; L172-F200 HydrophobicContact CD1-CZ 3.98Å; L172-F200 HydrophobicContact CG-CE1 4.35Å; L172-F200 HydrophobicContact CG-CZ 4.47Å; F200-T202 PolarHBondContact O-N 3.15Å; F200-D203 PolarHBondContact O-N 3.22Å
201A96.9Very high94.8Very high14 Ų1420.4 Ų20.412%0.11611%0.112CC..Hα-helixtrans-63.1-24.3177.600000112.1T199 M204 W205 P264 R267T199-A201 PolarHBondContact O-N 2.93Å; T199-A201 VanDerWaalsContact O-N 3.15Å; T199-A201 WeakPolarHBondContact OG1-CB 3.46Å; T199-A201 PolarHBondContact OG1-N 3.13Å; A201-M204 WeakPolarHBondContact O-CA 3.25Å; A201-M204 WeakPolarHBondContact O-CB 3.47Å; A201-M204 PolarHBondContact O-N 3.45Å; A201-M204 VanDerWaalsContact O-N 3.08Å; A201-W205 PolarHBondContact O-N 3.3Å; A201-P264 HydrophobicContact CB-CB 3.72Å; A201-P264 WeakPolarHBondContact CB-O 3.45Å; A201-R267 HydrophobicContact CB-CB 4.31Å; A201-R267 VanDerWaalsContact O-CD 3.3Å; A201-R267 WeakPolarHBondContact O-CD 3.35Å; A201-R267 PolarHBondContact O-NH1 3.28Å
202T96.2Very high94.8Very high5 Ų520.3 Ų20.33%0.03111%0.111CC..Hα-helixtrans-61.7-44.6180-56.10000111.5L144 A189 E191 I192 T199 F200 M204 W205L144-T202 HydrophobicContact CD2-CG2 4.15Å; A189-T202 HydrophobicContact CB-CG2 3.97Å; E191-T202 VanDerWaalsContact OE1-CA 3.28Å; E191-T202 WeakPolarHBondContact OE1-CA 3.46Å; E191-T202 PolarHBondContact OE1-N 3.27Å; E191-T202 PolarHBondContact OE1-OG1 2.9Å; I192-T202 HydrophobicContact CD1-CG2 3.48Å; I192-T202 VanDerWaalsContact CD1-CG2 3.48Å; I192-T202 HydrophobicContact CG1-CG2 3.84Å; T199-T202 PolarHBondContact N-OG1 2.98Å; T199-T202 WeakPolarHBondContact O-CB 3.46Å; T199-T202 PolarHBondContact O-N 2.96Å; T199-T202 PolarHBondContact O-OG1 3.16Å; T199-T202 VanDerWaalsContact O-OG1 3.1Å; F200-T202 PolarHBondContact O-N 3.15Å; T202-M204 VanDerWaalsContact C-N 3.29Å; T202-M204 PolarHBondContact O-N 3.1Å; T202-W205 WeakPolarHBondContact O-CB 3.3Å; T202-W205 PolarHBondContact O-N 2.98Å
203D97.3Very high94.9Very high1 Ų120 Ų201%0.00511%0.109CC..Hα-helixtrans-63.6-36.4172.2-71.3-21.3000111.7H137 V142 H143 L144 L146 F200 W205 A206 V207H137-D203 IonicContact CD2-OD2 2.65Å; H137-D203 IonicContact NE2-OD2 2.76Å; H137-D203 PolarHBondContact NE2-OD2 2.94Å; V142-D203 VanDerWaalsContact CA-OD2 3.32Å; V142-D203 WeakPolarHBondContact CA-OD2 3.32Å; H143-D203 PolarHBondContact N-OD1 3.05Å; H143-D203 PolarHBondContact N-OD2 3.42Å; L144-D203 PolarHBondContact N-OD1 2.68Å; L146-D203 HydrophobicContact CD1-CB 3.88Å; F200-D203 PolarHBondContact O-N 3.22Å; D203-W205 VanDerWaalsContact C-N 3.28Å; D203-W205 PolarHBondContact O-N 2.85Å; D203-A206 WeakPolarHBondContact O-CB 2.85Å; D203-A206 PolarHBondContact O-N 3.5Å; D203-A206 VanDerWaalsContact O-N 3.13Å; D203-V207 WeakPolarHBondContact O-CG2 3.24Å; D203-V207 PolarHBondContact O-N 3.21Å
204M98.4Very high95Very high1 Ų119.4 Ų19.41%0.00511%0.106CC..Hα-helixtrans-64.7-31.8179.2-58.6-52.6-5500112.4L130 V133 A201 T202 V207 G208 L259 R267 V270 C273L130-M204 HydrophobicContact CD2-CE 3.78Å; V133-M204 HydrophobicContact CG1-SD 3.97Å; A201-M204 WeakPolarHBondContact O-CA 3.25Å; A201-M204 WeakPolarHBondContact O-CB 3.47Å; A201-M204 PolarHBondContact O-N 3.45Å; A201-M204 VanDerWaalsContact O-N 3.08Å; T202-M204 VanDerWaalsContact C-N 3.29Å; T202-M204 PolarHBondContact O-N 3.1Å; M204-V207 PolarHBondContact O-N 2.74Å; M204-G208 PolarHBondContact O-N 2.92Å; M204-G208 VanDerWaalsContact O-N 3.08Å; M204-L259 HydrophobicContact CB-CD2 3.92Å; M204-L259 HydrophobicContact CE-CD2 3.58Å; M204-L259 WeakPolarHBondContact O-CD2 3.46Å; M204-R267 HydrophobicContact CB-CG 4.42Å; M204-V270 HydrophobicContact CE-CB 4.21Å; M204-V270 HydrophobicContact SD-CB 3.8Å; M204-V270 HydrophobicContact SD-CG2 4.45Å; M204-C273 HydrophobicContact CE-CB 4.22Å
205W97.7Very high95.1Very high0 Ų016.6 Ų16.60%09%0.091CC..Hα-helixtrans-61-49.1171174.4-87.5000111.1C188 A189 P190 A201 T202 D203 V207 G208 V209 F221 I233 L260C188-W205 PolarHBondContact O-NE1 3.41Å; C188-W205 VanDerWaalsContact O-NE1 3.13Å; A189-W205 HydrophobicContact CB-CB 3.73Å; A189-W205 HydrophobicContact CB-CD2 4.28Å; A189-W205 HydrophobicContact CB-CG 3.69Å; P190-W205 HydrophobicContact CG-CD2 4.5Å; P190-W205 HydrophobicContact CG-CE3 4.1Å; P190-W205 HydrophobicContact CG-CH2 3.53Å; P190-W205 HydrophobicContact CG-CZ2 3.98Å; P190-W205 HydrophobicContact CG-CZ3 3.61Å; A201-W205 PolarHBondContact O-N 3.3Å; T202-W205 WeakPolarHBondContact O-CB 3.3Å; T202-W205 PolarHBondContact O-N 2.98Å; D203-W205 VanDerWaalsContact C-N 3.28Å; D203-W205 PolarHBondContact O-N 2.85Å; W205-V207 VanDerWaalsContact C-N 3.27Å; W205-V207 PolarHBondContact O-N 2.97Å; W205-G208 WeakPolarHBondContact O-CA 3.47Å; W205-G208 PolarHBondContact O-N 2.87Å; W205-V209 PolarHBondContact O-N 3.29Å; W205-F221 AromaticContact CE2-CE2 3.91Å; W205-F221 HydrophobicContact CH2-CE1 4.31Å; W205-F221 AromaticContact CH2-CE2 3.69Å; W205-F221 HydrophobicContact CH2-CE2 3.69Å; W205-F221 AromaticContact CH2-CZ 3.5Å; W205-F221 HydrophobicContact CH2-CZ 3.5Å; W205-F221 AromaticContact CZ2-CD2 3.81Å; W205-F221 HydrophobicContact CZ2-CD2 3.81Å; W205-F221 HydrophobicContact CZ2-CE1 4.39Å; W205-F221 AromaticContact CZ2-CE2 3.18Å; W205-F221 HydrophobicContact CZ2-CE2 3.18Å; W205-F221 AromaticContact CZ2-CZ 3.52Å; W205-F221 HydrophobicContact CZ2-CZ 3.52Å; W205-I233 HydrophobicContact CZ2-CG1 4.5Å; W205-I233 HydrophobicContact CZ2-CG2 3.95Å; W205-L260 HydrophobicContact CD2-CD2 4.04Å; W205-L260 HydrophobicContact CE3-CD2 4.07Å; W205-L260 HydrophobicContact CZ3-CB 4.41Å; W205-L260 HydrophobicContact CZ3-CD2 4.33Å
206A97.2Very high95.2Very high6 Ų613.5 Ų13.55%0.058%0.078CC..Hα-helixtrans-59.8-38.5178.800000111.7L146 D203 G208 V209 L210L146-A206 HydrophobicContact CB-CB 3.78Å; D203-A206 WeakPolarHBondContact O-CB 2.85Å; D203-A206 PolarHBondContact O-N 3.5Å; D203-A206 VanDerWaalsContact O-N 3.13Å; A206-G208 VanDerWaalsContact C-N 3.31Å; A206-G208 PolarHBondContact O-N 3.33Å; A206-V209 PolarHBondContact O-N 3.38Å; A206-L210 WeakPolarHBondContact O-CB 3.36Å; A206-L210 VanDerWaalsContact O-CG 3.3Å; A206-L210 WeakPolarHBondContact O-CG 3.44Å; A206-L210 PolarHBondContact O-N 3.16Å
207V98.2Very high95Very high1 Ų110.4 Ų10.41%0.0066%0.061CC..Hα-helixtrans-60.4-39.1171.5176.50000112V126 I129 L130 V133 L146 D203 M204 W205 T211 L259V126-V207 HydrophobicContact CG1-CG1 4.45Å; I129-V207 HydrophobicContact CG2-CG2 4.21Å; L130-V207 HydrophobicContact CD2-CG1 4.02Å; V133-V207 HydrophobicContact CG2-CG2 4.35Å; L146-V207 HydrophobicContact CD1-CG2 4.06Å; D203-V207 WeakPolarHBondContact O-CG2 3.24Å; D203-V207 PolarHBondContact O-N 3.21Å; M204-V207 PolarHBondContact O-N 2.74Å; W205-V207 VanDerWaalsContact C-N 3.27Å; W205-V207 PolarHBondContact O-N 2.97Å; V207-T211 WeakPolarHBondContact O-CB 3.46Å; V207-T211 PolarHBondContact O-N 2.84Å; V207-T211 PolarHBondContact O-OG1 3.17Å; V207-L259 HydrophobicContact CG1-CD1 4.16Å
208G97.8Very high94.9Very high0 Ų09.4 Ų9.40%05%0.052CC..Hα-helixtrans-63.2-45.1174.900000112.7M204 W205 A206 T211 Y212M204-G208 PolarHBondContact O-N 2.92Å; M204-G208 VanDerWaalsContact O-N 3.08Å; W205-G208 WeakPolarHBondContact O-CA 3.47Å; W205-G208 PolarHBondContact O-N 2.87Å; A206-G208 VanDerWaalsContact C-N 3.31Å; A206-G208 PolarHBondContact O-N 3.33Å; G208-T211 PolarHBondContact O-N 3.33Å; G208-Y212 PolarHBondContact O-N 3.41Å
209V96.6Very high94.9Very high0 Ų09.8 Ų9.80%06%0.056CC..Hα-helixtrans-63.7-47.3176.21780000110.8F187 W205 A206 T211 Y212 I213 P220 F221 L260F187-V209 HydrophobicContact CD1-CB 4.07Å; F187-V209 HydrophobicContact CD1-CG1 3.6Å; F187-V209 HydrophobicContact CE1-CB 4.42Å; F187-V209 HydrophobicContact CE1-CG1 3.65Å; W205-V209 PolarHBondContact O-N 3.29Å; A206-V209 PolarHBondContact O-N 3.38Å; V209-T211 VanDerWaalsContact C-N 3.32Å; V209-T211 PolarHBondContact O-N 3.31Å; V209-Y212 PolarHBondContact O-N 3.06Å; V209-I213 HydrophobicContact CG1-CD1 3.79Å; V209-I213 WeakPolarHBondContact O-CG1 3.42Å; V209-I213 PolarHBondContact O-N 3.28Å; V209-P220 HydrophobicContact CB-CG 4.47Å; V209-P220 HydrophobicContact CG1-CG 4.07Å; V209-P220 HydrophobicContact CG2-CG 4.28Å; V209-F221 HydrophobicContact CG2-CD2 4.24Å; V209-F221 HydrophobicContact CG2-CE2 4.05Å; V209-L260 HydrophobicContact CG2-CD2 3.89Å
210L96.2Very high94.8Very high3 Ų37.9 Ų7.92%0.0164%0.044CC..Hα-helixtrans-56.3-44.3175-77.8170.2000112.1F108 L146 P148 I151 F187 A206 I213 L214F108-L210 HydrophobicContact CE1-CD2 4.42Å; F108-L210 HydrophobicContact CE2-CD2 3.72Å; F108-L210 HydrophobicContact CZ-CB 4.16Å; F108-L210 HydrophobicContact CZ-CD2 3.51Å; F108-L210 HydrophobicContact CZ-CG 4.45Å; L146-L210 HydrophobicContact CB-CD1 4.22Å; P148-L210 HydrophobicContact CG-CD2 3.76Å; I151-L210 HydrophobicContact CG1-CD1 4.44Å; F187-L210 HydrophobicContact CE1-CD2 4.05Å; F187-L210 HydrophobicContact CE1-CG 4.3Å; A206-L210 WeakPolarHBondContact O-CB 3.36Å; A206-L210 VanDerWaalsContact O-CG 3.3Å; A206-L210 WeakPolarHBondContact O-CG 3.44Å; A206-L210 PolarHBondContact O-N 3.16Å; L210-I213 PolarHBondContact O-N 3.13Å; L210-L214 WeakPolarHBondContact O-CB 3.43Å; L210-L214 PolarHBondContact O-N 2.84Å
211T96.7Very high94.7Very high1 Ų15.1 Ų5.11%0.0063%0.032CC..Hα-helixtrans-65.8-42179-56.30000111.2V126 V207 G208 V209 L214 L215 F255 I256 W278V126-T211 HydrophobicContact CG2-CG2 4.21Å; V207-T211 WeakPolarHBondContact O-CB 3.46Å; V207-T211 PolarHBondContact O-N 2.84Å; V207-T211 PolarHBondContact O-OG1 3.17Å; G208-T211 PolarHBondContact O-N 3.33Å; V209-T211 VanDerWaalsContact C-N 3.32Å; V209-T211 PolarHBondContact O-N 3.31Å; T211-L214 PolarHBondContact O-N 3.29Å; T211-L215 HydrophobicContact CG2-CD1 4.14Å; T211-L215 WeakPolarHBondContact O-CG 3.39Å; T211-L215 PolarHBondContact O-N 3.4Å; T211-L215 VanDerWaalsContact O-N 3.15Å; T211-F255 HydrophobicContact CG2-CD1 4.01Å; T211-F255 HydrophobicContact CG2-CE1 4.05Å; T211-I256 HydrophobicContact CG2-CD1 4.31Å; T211-I256 HydrophobicContact CG2-CG1 3.98Å; T211-W278 HydrophobicContact CG2-CH2 3.68Å; T211-W278 HydrophobicContact CG2-CZ3 3.69Å
212Y95.3Very high94.3Very high1 Ų17.1 Ų7.10%0.0045%0.049CC..Hα-helixtrans-60.6-48.3176.5-174.2-79.2000111.2G208 V209 L214 L215 T216 I218 P220 V238 M245 I256G208-Y212 PolarHBondContact O-N 3.41Å; V209-Y212 PolarHBondContact O-N 3.06Å; Y212-L214 VanDerWaalsContact C-N 3.33Å; Y212-L214 PolarHBondContact O-N 3.2Å; Y212-L215 PolarHBondContact O-N 2.99Å; Y212-T216 HydrophobicContact CD1-CG2 4.39Å; Y212-T216 WeakPolarHBondContact CD1-OG1 3.16Å; Y212-T216 HydrophobicContact CE1-CG2 4.14Å; Y212-T216 WeakPolarHBondContact CE1-OG1 3.33Å; Y212-T216 WeakPolarHBondContact O-CB 3.45Å; Y212-T216 PolarHBondContact O-N 2.93Å; Y212-T216 PolarHBondContact O-OG1 3.33Å; Y212-I218 WeakPolarHBondContact CD1-O 3.28Å; Y212-I218 HydrophobicContact CE1-CD1 4.33Å; Y212-I218 HydrophobicContact CE1-CG1 3.66Å; Y212-I218 WeakPolarHBondContact CE1-O 3.42Å; Y212-P220 HydrophobicContact CD1-CB 3.74Å; Y212-P220 HydrophobicContact CD1-CG 3.92Å; Y212-P220 HydrophobicContact CD2-CB 4.11Å; Y212-P220 HydrophobicContact CE1-CB 3.84Å; Y212-P220 HydrophobicContact CE1-CG 4.47Å; Y212-P220 HydrophobicContact CE2-CB 4.22Å; Y212-P220 HydrophobicContact CG-CB 3.88Å; Y212-P220 HydrophobicContact CG-CG 4.03Å; Y212-V238 HydrophobicContact CD2-CG1 4.3Å; Y212-V238 HydrophobicContact CE2-CG1 3.85Å; Y212-M245 HydrophobicContact CD2-SD 4.42Å; Y212-M245 HydrophobicContact CE2-CE 4.24Å; Y212-M245 HydrophobicContact CE2-CG 4.38Å; Y212-M245 HydrophobicContact CE2-SD 3.89Å; Y212-I256 HydrophobicContact CD2-CD1 4.25Å; Y212-I256 HydrophobicContact CD2-CG2 4.28Å
213I93.2Very high93.9Very high0 Ų08 Ų80%06%0.059CC..Hα-helixtrans-61.5-41.4177.4-68.4163.3000110.8F108 F187 V209 L210 L215 T216 G217 I218 L303 F306F108-I213 HydrophobicContact CD1-CG2 4.13Å; F108-I213 HydrophobicContact CE1-CB 4.36Å; F108-I213 HydrophobicContact CE1-CG2 3.97Å; F187-I213 HydrophobicContact CE1-CD1 3.69Å; F187-I213 HydrophobicContact CZ-CD1 3.79Å; V209-I213 HydrophobicContact CG1-CD1 3.79Å; V209-I213 WeakPolarHBondContact O-CG1 3.42Å; V209-I213 PolarHBondContact O-N 3.28Å; L210-I213 PolarHBondContact O-N 3.13Å; I213-L215 VanDerWaalsContact C-N 3.28Å; I213-L215 PolarHBondContact O-N 3.46Å; I213-T216 PolarHBondContact O-N 3.44Å; I213-G217 VanDerWaalsContact O-CA 3.24Å; I213-G217 WeakPolarHBondContact O-CA 3.43Å; I213-G217 PolarHBondContact O-N 3.15Å; I213-I218 WeakPolarHBondContact CG1-O 3.32Å; I213-L303 HydrophobicContact CG2-CD1 3.56Å; I213-F306 HydrophobicContact CD1-CE1 4.03Å; I213-F306 HydrophobicContact CD1-CE2 4.21Å; I213-F306 HydrophobicContact CD1-CZ 3.66Å; I213-F306 HydrophobicContact CG1-CZ 4.44Å; I213-F306 HydrophobicContact CG2-CD1 3.85Å; I213-F306 HydrophobicContact CG2-CE1 3.89Å; I213-F306 HydrophobicContact CG2-CG 4.44Å; I213-F306 HydrophobicContact CG2-CZ 4.48Å
214L92.8Very high93.4Very high3 Ų315.6 Ų15.62%0.01610%0.099CC..Hα-helixtrans-61.8-35.1179.5-174.963.5000112.6F108 V111 L117 A122 V126 L210 T211 Y212F108-L214 HydrophobicContact CD1-CD1 4.32Å; F108-L214 HydrophobicContact CE1-CB 3.84Å; F108-L214 HydrophobicContact CE1-CD1 4.11Å; F108-L214 HydrophobicContact CZ-CB 4.31Å; V111-L214 HydrophobicContact CB-CD1 4.43Å; V111-L214 HydrophobicContact CG1-CD1 4Å; V111-L214 HydrophobicContact CG2-CD1 4.22Å; L117-L214 HydrophobicContact CD2-CD1 4.37Å; A122-L214 HydrophobicContact CB-CD2 3.94Å; A122-L214 HydrophobicContact CB-CG 4.27Å; V126-L214 HydrophobicContact CG2-CD2 3.88Å; L210-L214 WeakPolarHBondContact O-CB 3.43Å; L210-L214 PolarHBondContact O-N 2.84Å; T211-L214 PolarHBondContact O-N 3.29Å; Y212-L214 VanDerWaalsContact C-N 3.33Å; Y212-L214 PolarHBondContact O-N 3.2Å
215L92.2Very high93Very high1 Ų119.3 Ų19.31%0.00512%0.122CC..Hα-helixtrans-90.8-19.6-175.7-64.4-178.5000114.5E119 A122 T211 Y212 I213 V248 A252 I256 W278 I295 K299E119-L215 HydrophobicContact CG-CD2 4.41Å; A122-L215 HydrophobicContact CB-CD2 3.79Å; T211-L215 HydrophobicContact CG2-CD1 4.14Å; T211-L215 WeakPolarHBondContact O-CG 3.39Å; T211-L215 PolarHBondContact O-N 3.4Å; T211-L215 VanDerWaalsContact O-N 3.15Å; Y212-L215 PolarHBondContact O-N 2.99Å; I213-L215 VanDerWaalsContact C-N 3.28Å; I213-L215 PolarHBondContact O-N 3.46Å; L215-V248 HydrophobicContact CB-CG2 4.42Å; L215-V248 HydrophobicContact CD1-CG1 4Å; L215-A252 HydrophobicContact CD1-CB 3.71Å; L215-I256 HydrophobicContact CD1-CD1 4.17Å; L215-W278 HydrophobicContact CD1-CH2 4.15Å; L215-W278 HydrophobicContact CD1-CZ2 3.9Å; L215-W278 HydrophobicContact CD2-CH2 4.46Å; L215-W278 HydrophobicContact CD2-CZ2 4.06Å; L215-W278 HydrophobicContact CG-CZ2 4.48Å; L215-I295 HydrophobicContact CD2-CD1 3.8Å; L215-I295 HydrophobicContact CD2-CG1 4.39Å; L215-K299 WeakPolarHBondContact O-CD 3.42Å
216T90.6Very high92.4Very high0 Ų025.2 Ų25.20%015%0.15CC..Hα-helixtrans-122.3-27.5-173.2630000113.4Y212 I213 I218 E244 M245 K299Y212-T216 HydrophobicContact CD1-CG2 4.39Å; Y212-T216 WeakPolarHBondContact CD1-OG1 3.16Å; Y212-T216 HydrophobicContact CE1-CG2 4.14Å; Y212-T216 WeakPolarHBondContact CE1-OG1 3.33Å; Y212-T216 WeakPolarHBondContact O-CB 3.45Å; Y212-T216 PolarHBondContact O-N 2.93Å; Y212-T216 PolarHBondContact O-OG1 3.33Å; I213-T216 PolarHBondContact O-N 3.44Å; T216-I218 VanDerWaalsContact C-N 3.25Å; T216-I218 PolarHBondContact OG1-N 3.38Å; T216-I218 PolarHBondContact OG1-O 3.25Å; T216-E244 HydrophobicContact CG2-CB 4.4Å; T216-M245 HydrophobicContact CG2-CG 4.35Å; T216-M245 HydrophobicContact CG2-SD 3.32Å; T216-M245 WeakPolarHBondContact CG2-SD 3.45Å; T216-K299 WeakPolarHBondContact O-CB 3.19Å
217G88.2Confident92Very high2 Ų229.6 Ų29.62%0.02117%0.172CC..SBendtrans76.16-170.700000114.9I213 S302 L303 F306I213-G217 VanDerWaalsContact O-CA 3.24Å; I213-G217 WeakPolarHBondContact O-CA 3.43Å; I213-G217 PolarHBondContact O-N 3.15Å; G217-S302 CarbonylContact O-C 3.56Å; G217-S302 VanDerWaalsContact O-O 3.09Å; G217-L303 PolarHBondContact O-N 3.14Å; G217-F306 WeakPolarHBondContact O-CB 3.41Å
218I89.2Confident91.7Very high40 Ų4033.3 Ų33.321%0.20519%0.189CC..SBendtrans-121.9151.5179.377.1-172.6000110.1Y212 I213 T216 E244Y212-I218 WeakPolarHBondContact CD1-O 3.28Å; Y212-I218 HydrophobicContact CE1-CD1 4.33Å; Y212-I218 HydrophobicContact CE1-CG1 3.66Å; Y212-I218 WeakPolarHBondContact CE1-O 3.42Å; I213-I218 WeakPolarHBondContact CG1-O 3.32Å; T216-I218 VanDerWaalsContact C-N 3.25Å; T216-I218 PolarHBondContact OG1-N 3.38Å; T216-I218 PolarHBondContact OG1-O 3.25Å; I218-E244 HydrophobicContact CD1-CB 4.35Å; I218-E244 HydrophobicContact CD1-CG 4.08Å
219S91.2Very high91.3Very high17 Ų1733.9 Ų33.912%0.11919%0.193CC..  trans-80.2134.5174.5176.90000110.4F221 A222S219-F221 PolarHBondContact O-N 3.31Å; S219-A222 PolarHBondContact OG-N 3.03Å
220P93.6Very high91.1Very high10 Ų1035.9 Ų35.97%0.06520%0.201CC..SBendtrans-68.7-21.8-177.525.4-31.2000113.6V209 Y212 L260V209-P220 HydrophobicContact CB-CG 4.47Å; V209-P220 HydrophobicContact CG1-CG 4.07Å; V209-P220 HydrophobicContact CG2-CG 4.28Å; Y212-P220 HydrophobicContact CD1-CB 3.74Å; Y212-P220 HydrophobicContact CD1-CG 3.92Å; Y212-P220 HydrophobicContact CD2-CB 4.11Å; Y212-P220 HydrophobicContact CE1-CB 3.84Å; Y212-P220 HydrophobicContact CE1-CG 4.47Å; Y212-P220 HydrophobicContact CE2-CB 4.22Å; Y212-P220 HydrophobicContact CG-CB 3.88Å; Y212-P220 HydrophobicContact CG-CG 4.03Å; P220-L260 HydrophobicContact CB-CD1 4.47Å; P220-L260 HydrophobicContact CG-CD1 4.44Å
221F93.8Very high90.9Very high1 Ų138.4 Ų38.40%0.00421%0.213CC..SBendtrans-127.3-2.4-172.6-54.1-66.4000114.6W205 V209 S219 G223 T229 N232 I233 V238 L260W205-F221 AromaticContact CE2-CE2 3.91Å; W205-F221 HydrophobicContact CH2-CE1 4.31Å; W205-F221 AromaticContact CH2-CE2 3.69Å; W205-F221 HydrophobicContact CH2-CE2 3.69Å; W205-F221 AromaticContact CH2-CZ 3.5Å; W205-F221 HydrophobicContact CH2-CZ 3.5Å; W205-F221 AromaticContact CZ2-CD2 3.81Å; W205-F221 HydrophobicContact CZ2-CD2 3.81Å; W205-F221 HydrophobicContact CZ2-CE1 4.39Å; W205-F221 AromaticContact CZ2-CE2 3.18Å; W205-F221 HydrophobicContact CZ2-CE2 3.18Å; W205-F221 AromaticContact CZ2-CZ 3.52Å; W205-F221 HydrophobicContact CZ2-CZ 3.52Å; V209-F221 HydrophobicContact CG2-CD2 4.24Å; V209-F221 HydrophobicContact CG2-CE2 4.05Å; S219-F221 PolarHBondContact O-N 3.31Å; F221-G223 PolarHBondContact O-N 2.99Å; F221-T229 WeakPolarHBondContact O-CA 3.05Å; F221-N232 HydrophobicContact CB-CB 4.13Å; F221-N232 HydrophobicContact CD1-CB 4.38Å; F221-N232 WeakPolarHBondContact O-CB 3.45Å; F221-N232 PolarHBondContact O-ND2 3.05Å; F221-N232 VanDerWaalsContact O-ND2 3.14Å; F221-I233 HydrophobicContact CB-CG1 3.7Å; F221-I233 HydrophobicContact CD2-CG1 4.13Å; F221-I233 HydrophobicContact CG-CG1 3.88Å; F221-V238 HydrophobicContact CE1-CG2 3.52Å; F221-V238 HydrophobicContact CZ-CG2 3.43Å; F221-V238 VanDerWaalsContact CZ-CG2 3.43Å; F221-L260 HydrophobicContact CE2-CD1 4.14Å; F221-L260 HydrophobicContact CE2-CD2 4.1Å; F221-L260 HydrophobicContact CZ-CD1 4.09Å; F221-L260 HydrophobicContact CZ-CD2 4.44Å
222A88.7Confident90.7Very high57 Ų5740.7 Ų40.747%0.47123%0.226SC..  trans-60.3125.4179.100000111.2S219S219-A222 PolarHBondContact OG-N 3.03Å
223G87.1Confident90.6Very high23 Ų2340.7 Ų40.724%0.23723%0.225CC..  trans-107.6179.2165.800000111.5F221 T225 T229F221-G223 PolarHBondContact O-N 2.99Å; G223-T225 PolarHBondContact O-N 3.49Å; G223-T229 PolarHBondContact N-OG1 2.94Å
224D87.5Confident90.5Very high160 Ų16041.5 Ų41.586%0.85623%0.23SC*.SBendtrans-68.6-21.8178.2-69.6-27.7000111.8E228D224-E228 PolarHBondContact N-OE2 3.14Å
225T88.5Confident90.5Very high80 Ų8045.1 Ų45.149%0.49125%0.249SC..SBendtrans-129.6154.1177.569.30000111.3G223 L227 E228 T229G223-T225 PolarHBondContact O-N 3.49Å; T225-L227 PolarHBondContact O-N 2.77Å; T225-E228 WeakPolarHBondContact O-CB 3.32Å; T225-E228 PolarHBondContact O-N 2.72Å; T225-E228 VanDerWaalsContact O-N 3.09Å; T225-E228 WeakPolarHBondContact OG1-CB 3.46Å; T225-E228 PolarHBondContact OG1-N 3.43Å; T225-E228 VanDerWaalsContact OG1-N 3.16Å; T225-T229 PolarHBondContact O-N 3.27Å; T225-T229 PolarHBondContact O-OG1 3.03Å
226Q86.6Confident90.5Very high123 Ų12346.4 Ų46.458%0.57526%0.258SS*.Hα-helixtrans-56.9-34.4175-66.6-18014.600112.5P185 T229 F230P185-Q226 HydrophobicContact CG-CG 4.47Å; Q226-T229 WeakPolarHBondContact O-CB 3.49Å; Q226-T229 PolarHBondContact O-N 3.23Å; Q226-F230 HydrophobicContact CB-CE2 4.46Å; Q226-F230 WeakPolarHBondContact O-CD2 3.44Å; Q226-F230 WeakPolarHBondContact O-CG 3.5Å; Q226-F230 PolarHBondContact O-N 3.33Å
227L88.5Confident90.1Very high99 Ų9952.1 Ų52.152%0.51829%0.287SS..Hα-helixtrans-66.2-43.5177.5-178.363.7000111.6T225 T229 F230 Q231 I408T225-L227 PolarHBondContact O-N 2.77Å; L227-T229 VanDerWaalsContact C-N 3.34Å; L227-F230 PolarHBondContact O-N 2.89Å; L227-Q231 WeakPolarHBondContact O-CB 3.47Å; L227-Q231 PolarHBondContact O-N 3.36Å; L227-I408 HydrophobicContact CD2-CD1 4.1Å
228E90.9Very high90.2Very high79 Ų7953 Ų5337%0.36929%0.292SS..Hα-helixtrans-63.1-42.5174.4-173.3-178.3-176.500111.1D224 T225 F230 Q231 N232D224-E228 PolarHBondContact N-OE2 3.14Å; T225-E228 WeakPolarHBondContact O-CB 3.32Å; T225-E228 PolarHBondContact O-N 2.72Å; T225-E228 VanDerWaalsContact O-N 3.09Å; T225-E228 WeakPolarHBondContact OG1-CB 3.46Å; T225-E228 PolarHBondContact OG1-N 3.43Å; T225-E228 VanDerWaalsContact OG1-N 3.16Å; E228-F230 VanDerWaalsContact C-N 3.35Å; E228-F230 PolarHBondContact O-N 3.44Å; E228-Q231 PolarHBondContact O-N 3.43Å; E228-Q231 VanDerWaalsContact O-N 3.14Å; E228-N232 WeakPolarHBondContact O-CB 3.27Å; E228-N232 VanDerWaalsContact O-CG 3.22Å; E228-N232 PolarHBondContact O-N 2.84Å; E228-N232 PolarHBondContact O-ND2 3.2Å
229T90.8Very high90Very high11 Ų1153.8 Ų53.87%0.06730%0.297CS..Hα-helixtrans-57-47.3173.6-58.30000111.6E186 F221 G223 T225 Q226 L227 Q231 N232 I233E186-T229 HydrophobicContact CB-CG2 4.33Å; F221-T229 WeakPolarHBondContact O-CA 3.05Å; G223-T229 PolarHBondContact N-OG1 2.94Å; T225-T229 PolarHBondContact O-N 3.27Å; T225-T229 PolarHBondContact O-OG1 3.03Å; Q226-T229 WeakPolarHBondContact O-CB 3.49Å; Q226-T229 PolarHBondContact O-N 3.23Å; L227-T229 VanDerWaalsContact C-N 3.34Å; T229-Q231 VanDerWaalsContact C-N 3.33Å; T229-Q231 PolarHBondContact O-N 2.82Å; T229-N232 PolarHBondContact O-N 3.24Å; T229-I233 HydrophobicContact CG2-CD1 4.03Å; T229-I233 WeakPolarHBondContact O-CD1 3.46Å; T229-I233 VanDerWaalsContact O-CG1 3.27Å; T229-I233 WeakPolarHBondContact O-CG1 3.41Å; T229-I233 PolarHBondContact O-N 3.37Å
230F90.4Very high89.9Confident42 Ų4255.6 Ų55.618%0.18430%0.301CS..Hα-helixtrans-63.3-39.4175.8-68.9-40.9000112.6P185 V193 Q226 L227 E228 I233 L234P185-F230 HydrophobicContact CB-CD1 4.47Å; P185-F230 HydrophobicContact CB-CE1 3.62Å; P185-F230 HydrophobicContact CB-CZ 3.71Å; P185-F230 HydrophobicContact CG-CE1 4.32Å; P185-F230 HydrophobicContact CG-CZ 3.95Å; V193-F230 HydrophobicContact CG1-CB 4Å; V193-F230 HydrophobicContact CG1-CD1 4.12Å; V193-F230 HydrophobicContact CG1-CG 4.19Å; V193-F230 HydrophobicContact CG2-CD1 3.74Å; V193-F230 HydrophobicContact CG2-CE1 4.23Å; Q226-F230 HydrophobicContact CB-CE2 4.46Å; Q226-F230 WeakPolarHBondContact O-CD2 3.44Å; Q226-F230 WeakPolarHBondContact O-CG 3.5Å; Q226-F230 PolarHBondContact O-N 3.33Å; L227-F230 PolarHBondContact O-N 2.89Å; E228-F230 VanDerWaalsContact C-N 3.35Å; E228-F230 PolarHBondContact O-N 3.44Å; F230-I233 HydrophobicContact CD1-CD1 4.34Å; F230-I233 PolarHBondContact O-N 2.92Å; F230-L234 WeakPolarHBondContact O-CB 3.49Å; F230-L234 VanDerWaalsContact O-CG 3.25Å; F230-L234 WeakPolarHBondContact O-CG 3.13Å; F230-L234 PolarHBondContact O-N 2.97Å
231Q92.1Very high89.5Confident57 Ų5760 Ų6027%0.26633%0.333SS..Hα-helixtrans-63.7-44.2176.9-172.35641.700111.2L227 E228 T229 I233 L234 D235L227-Q231 WeakPolarHBondContact O-CB 3.47Å; L227-Q231 PolarHBondContact O-N 3.36Å; E228-Q231 PolarHBondContact O-N 3.43Å; E228-Q231 VanDerWaalsContact O-N 3.14Å; T229-Q231 VanDerWaalsContact C-N 3.33Å; T229-Q231 PolarHBondContact O-N 2.82Å; Q231-I233 VanDerWaalsContact C-N 3.33Å; Q231-I233 PolarHBondContact O-N 3.27Å; Q231-L234 PolarHBondContact O-N 2.86Å; Q231-L234 VanDerWaalsContact O-N 3.17Å; Q231-D235 PolarHBondContact NE2-OD1 3.36Å; Q231-D235 PolarHBondContact NE2-OD2 2.86Å; Q231-D235 WeakPolarHBondContact O-CB 3.36Å; Q231-D235 PolarHBondContact O-N 3.02Å
232N92.6Very high89Confident49 Ų4965.3 Ų65.326%0.26235%0.353SS..Hα-helixtrans-59.8-41.8175.2-68.8-21.2000111.9F221 E228 T229 C236F221-N232 HydrophobicContact CB-CB 4.13Å; F221-N232 HydrophobicContact CD1-CB 4.38Å; F221-N232 WeakPolarHBondContact O-CB 3.45Å; F221-N232 PolarHBondContact O-ND2 3.05Å; F221-N232 VanDerWaalsContact O-ND2 3.14Å; E228-N232 WeakPolarHBondContact O-CB 3.27Å; E228-N232 VanDerWaalsContact O-CG 3.22Å; E228-N232 PolarHBondContact O-N 2.84Å; E228-N232 PolarHBondContact O-ND2 3.2Å; T229-N232 PolarHBondContact O-N 3.24Å; N232-C236 PolarHBondContact O-N 3.07Å
233I93.1Very high88.9Confident0 Ų070.5 Ų70.50%037%0.367CS..Hα-helixtrans-62.1-46.4174.4-69.5163.9000110.7P185 P190 V193 W205 F221 T229 F230 Q231 C236P185-I233 WeakPolarHBondContact O-CD1 3.48Å; P190-I233 HydrophobicContact CB-CG2 4.27Å; P190-I233 HydrophobicContact CG-CG2 3.86Å; V193-I233 HydrophobicContact CG2-CG2 3.99Å; W205-I233 HydrophobicContact CZ2-CG1 4.5Å; W205-I233 HydrophobicContact CZ2-CG2 3.95Å; F221-I233 HydrophobicContact CB-CG1 3.7Å; F221-I233 HydrophobicContact CD2-CG1 4.13Å; F221-I233 HydrophobicContact CG-CG1 3.88Å; T229-I233 HydrophobicContact CG2-CD1 4.03Å; T229-I233 WeakPolarHBondContact O-CD1 3.46Å; T229-I233 VanDerWaalsContact O-CG1 3.27Å; T229-I233 WeakPolarHBondContact O-CG1 3.41Å; T229-I233 PolarHBondContact O-N 3.37Å; F230-I233 HydrophobicContact CD1-CD1 4.34Å; F230-I233 PolarHBondContact O-N 2.92Å; Q231-I233 VanDerWaalsContact C-N 3.33Å; Q231-I233 PolarHBondContact O-N 3.27Å; I233-C236 PolarHBondContact O-N 3.11Å
234L92.5Very high88.7Confident17 Ų1772.5 Ų72.59%0.08937%0.37CS..Hα-helixtrans-65.8-39.5-179.6-72.9175.7000112.1V193 N194 F230 Q231 C236 K262 I705V193-L234 HydrophobicContact CB-CD2 4.01Å; V193-L234 HydrophobicContact CB-CG 4.39Å; V193-L234 HydrophobicContact CG1-CD1 3.9Å; V193-L234 HydrophobicContact CG1-CD2 3.81Å; V193-L234 HydrophobicContact CG1-CG 3.77Å; N194-L234 WeakPolarHBondContact ND2-CD2 3.11Å; N194-L234 WeakPolarHBondContact OD1-CD2 2.81Å; F230-L234 WeakPolarHBondContact O-CB 3.49Å; F230-L234 VanDerWaalsContact O-CG 3.25Å; F230-L234 WeakPolarHBondContact O-CG 3.13Å; F230-L234 PolarHBondContact O-N 2.97Å; Q231-L234 PolarHBondContact O-N 2.86Å; Q231-L234 VanDerWaalsContact O-N 3.17Å; L234-C236 VanDerWaalsContact C-N 3.25Å; L234-K262 WeakPolarHBondContact O-CE 3.09Å; L234-K262 PolarHBondContact O-NZ 3.08Å; L234-I705 HydrophobicContact CD1-CD1 4.03Å
235D92.6Very high88.8Confident79 Ų7964.9 Ų64.942%0.42233%0.329SS..Hα-helixtrans-72.7-24.3176.5-69.3-25.5000111.5Q231 I237Q231-D235 PolarHBondContact NE2-OD1 3.36Å; Q231-D235 PolarHBondContact NE2-OD2 2.86Å; Q231-D235 WeakPolarHBondContact O-CB 3.36Å; Q231-D235 PolarHBondContact O-N 3.02Å; D235-I237 HydrophobicContact CB-CD1 3.9Å; D235-I237 HydrophobicContact CB-CG1 3.97Å; D235-I237 PolarHBondContact O-N 2.99Å
236C91.3Very high88.6Confident28 Ų2868 Ų6819%0.18934%0.338CS..THydrogen-bonded Turntrans55.640.5177.3-168.70000111.6N232 I233 L234 L260 K262N232-C236 PolarHBondContact O-N 3.07Å; I233-C236 PolarHBondContact O-N 3.11Å; L234-C236 VanDerWaalsContact C-N 3.25Å; C236-L260 PolarHBondContact SG-O 3.29Å; C236-K262 HydrophobicContact CB-CB 3.96Å; C236-K262 HydrophobicContact CB-CD 4.3Å; C236-K262 HydrophobicContact CB-CG 4.46Å
237I83.3Confident88.4Confident121 Ų12166.7 Ų66.762%0.62134%0.336SS*.  trans-95.3100.8179.7-59.4172.3000108.1D235D235-I237 HydrophobicContact CB-CD1 3.9Å; D235-I237 HydrophobicContact CB-CG1 3.97Å; D235-I237 PolarHBondContact O-N 2.99Å
238V88.8Confident88.4Confident20 Ų2062.2 Ų62.212%0.12131%0.312CS..  trans-100.2117.7170.4-175.60000108Y212 F221 Y240 L260Y212-V238 HydrophobicContact CD2-CG1 4.3Å; Y212-V238 HydrophobicContact CE2-CG1 3.85Å; F221-V238 HydrophobicContact CE1-CG2 3.52Å; F221-V238 HydrophobicContact CZ-CG2 3.43Å; F221-V238 VanDerWaalsContact CZ-CG2 3.43Å; V238-Y240 HydrophobicContact CB-CD2 4.31Å; V238-Y240 HydrophobicContact CB-CE2 3.62Å; V238-Y240 HydrophobicContact CG1-CD1 4.43Å; V238-Y240 HydrophobicContact CG1-CD2 4.15Å; V238-Y240 HydrophobicContact CG1-CE1 3.92Å; V238-Y240 HydrophobicContact CG1-CE2 3.62Å; V238-Y240 VanDerWaalsContact CG1-CZ 3.47Å; V238-Y240 VanDerWaalsContact O-CD2 3.27Å; V238-Y240 WeakPolarHBondContact O-CD2 3.37Å; V238-Y240 PolarHBondContact O-N 3.01Å; V238-L260 HydrophobicContact CG2-CB 4.3Å; V238-L260 HydrophobicContact CG2-CD1 3.77Å
239D86.8Confident88.5Confident57 Ų5758.5 Ų58.531%0.30530%0.295SS..  trans-85.5105.9176.4-176.95.7000110.3S241 R242D239-S241 VanDerWaalsContact C-N 3.33Å; D239-S241 WeakPolarHBondContact OD1-CA 3.43Å; D239-S241 VanDerWaalsContact OD1-CB 3.31Å; D239-S241 WeakPolarHBondContact OD1-CB 3.49Å; D239-S241 PolarHBondContact OD1-N 3.13Å; D239-S241 PolarHBondContact OD1-OG 3.36Å; D239-R242 HydrophobicContact CB-CG 3.95Å; D239-R242 WeakPolarHBondContact OD2-CG 3.37Å
240Y88.5Confident88.6Confident54 Ų5463.7 Ų63.721%0.21232%0.322CS..SBendtrans-87.6-1.7176.5-64.5-84.1000113.2V238 M245 K253 I256 Q257V238-Y240 HydrophobicContact CB-CD2 4.31Å; V238-Y240 HydrophobicContact CB-CE2 3.62Å; V238-Y240 HydrophobicContact CG1-CD1 4.43Å; V238-Y240 HydrophobicContact CG1-CD2 4.15Å; V238-Y240 HydrophobicContact CG1-CE1 3.92Å; V238-Y240 HydrophobicContact CG1-CE2 3.62Å; V238-Y240 VanDerWaalsContact CG1-CZ 3.47Å; V238-Y240 VanDerWaalsContact O-CD2 3.27Å; V238-Y240 WeakPolarHBondContact O-CD2 3.37Å; V238-Y240 PolarHBondContact O-N 3.01Å; Y240-M245 HydrophobicContact CD1-CE 3.57Å; Y240-M245 HydrophobicContact CE1-CE 4.02Å; Y240-M245 WeakPolarHBondContact O-CB 3.41Å; Y240-K253 HydrophobicContact CD1-CG 4.39Å; Y240-I256 HydrophobicContact CE1-CB 4.48Å; Y240-I256 HydrophobicContact CE1-CG2 4.16Å; Y240-Q257 HydrophobicContact CD2-CG 4.47Å; Y240-Q257 HydrophobicContact CE1-CG 3.89Å; Y240-Q257 HydrophobicContact CE2-CG 3.7Å; Y240-Q257 WeakPolarHBondContact OH-CG 3.32Å
241S85.4Confident88.7Confident104 Ų10463.5 Ų63.573%0.72732%0.323SS*.  trans-91-6.6-18074.20000113.8D239D239-S241 VanDerWaalsContact C-N 3.33Å; D239-S241 WeakPolarHBondContact OD1-CA 3.43Å; D239-S241 VanDerWaalsContact OD1-CB 3.31Å; D239-S241 WeakPolarHBondContact OD1-CB 3.49Å; D239-S241 PolarHBondContact OD1-N 3.13Å; D239-S241 PolarHBondContact OD1-OG 3.36Å
242R83.2Confident88.9Confident112 Ų11260.8 Ų60.842%0.42331%0.31SS..SBendtrans-62.6153.1178.4-48.7-177-170-103.70.1112.2D239 E244 M245 Q246D239-R242 HydrophobicContact CB-CG 3.95Å; D239-R242 WeakPolarHBondContact OD2-CG 3.37Å; R242-E244 WeakPolarHBondContact CB-OE2 3.12Å; R242-E244 PolarHBondContact O-N 3.31Å; R242-M245 PolarHBondContact O-N 3.33Å; R242-Q246 PolarHBondContact O-N 3.36Å
243E85.7Confident89Confident165 Ų16560 Ų6077%0.77130%0.304SS*.Hα-helixtrans-57.1-35.8-178.8-63.3-177.1176.100111.8M245 Q246E243-M245 PolarHBondContact O-N 3.05Å; E243-Q246 VanDerWaalsContact O-CB 3.28Å; E243-Q246 WeakPolarHBondContact O-CB 3.5Å; E243-Q246 PolarHBondContact O-N 2.91Å
244E84.3Confident89.2Confident65 Ų6562.5 Ų62.530%0.30432%0.318SS..Hα-helixtrans-64.2-25.5177.8-53.386.1166.400112.1T216 I218 R242 K299T216-E244 HydrophobicContact CG2-CB 4.4Å; I218-E244 HydrophobicContact CD1-CB 4.35Å; I218-E244 HydrophobicContact CD1-CG 4.08Å; R242-E244 WeakPolarHBondContact CB-OE2 3.12Å; R242-E244 PolarHBondContact O-N 3.31Å; E244-K299 WeakPolarHBondContact O-CE 3.43Å; E244-K299 PolarHBondContact O-NZ 3.35Å
245M88.2Confident89.4Confident0 Ų061.7 Ų61.70%031%0.314CS..Hα-helixtrans-90.1-10.6177.3-69.1-60.6-77.300113.1Y212 T216 Y240 R242 E243 N247 V248 K253 I256Y212-M245 HydrophobicContact CD2-SD 4.42Å; Y212-M245 HydrophobicContact CE2-CE 4.24Å; Y212-M245 HydrophobicContact CE2-CG 4.38Å; Y212-M245 HydrophobicContact CE2-SD 3.89Å; T216-M245 HydrophobicContact CG2-CG 4.35Å; T216-M245 HydrophobicContact CG2-SD 3.32Å; T216-M245 WeakPolarHBondContact CG2-SD 3.45Å; Y240-M245 HydrophobicContact CD1-CE 3.57Å; Y240-M245 HydrophobicContact CE1-CE 4.02Å; Y240-M245 WeakPolarHBondContact O-CB 3.41Å; R242-M245 PolarHBondContact O-N 3.33Å; E243-M245 PolarHBondContact O-N 3.05Å; M245-N247 VanDerWaalsContact C-N 3.33Å; M245-N247 PolarHBondContact O-N 3.31Å; M245-V248 HydrophobicContact CE-CB 4.46Å; M245-V248 HydrophobicContact CE-CG1 4.34Å; M245-V248 PolarHBondContact O-N 3.34Å; M245-V248 VanDerWaalsContact O-N 3.16Å; M245-V248 HydrophobicContact SD-CB 4.43Å; M245-V248 HydrophobicContact SD-CG2 4.05Å; M245-K253 HydrophobicContact CE-CG 3.73Å; M245-K253 WeakPolarHBondContact O-CE 3.4Å; M245-K253 PolarHBondContact O-NZ 3.4Å; M245-I256 HydrophobicContact CE-CD1 4.45Å
246Q83.7Confident89.7Confident146 Ų14658 Ų5868%0.68229%0.294SS*.Hα-helixtrans-60.2-42-175.1-170.11747.500112.5R242 E243R242-Q246 PolarHBondContact O-N 3.36Å; E243-Q246 VanDerWaalsContact O-CB 3.28Å; E243-Q246 WeakPolarHBondContact O-CB 3.5Å; E243-Q246 PolarHBondContact O-N 2.91Å
247N82.7Confident90Very high96 Ų9661 Ų6151%0.51331%0.305SS..THydrogen-bonded Turntrans-90.57-178.9-63.8-25.3000114.1M245M245-N247 VanDerWaalsContact C-N 3.33Å; M245-N247 PolarHBondContact O-N 3.31Å
248V89.4Confident90.6Very high5 Ų558.9 Ų58.93%0.0329%0.291CS..SBendtrans-90.8133.6177.2178.60000109.4L215 M245 A252 K253 K299L215-V248 HydrophobicContact CB-CG2 4.42Å; L215-V248 HydrophobicContact CD1-CG1 4Å; M245-V248 HydrophobicContact CE-CB 4.46Å; M245-V248 HydrophobicContact CE-CG1 4.34Å; M245-V248 PolarHBondContact O-N 3.34Å; M245-V248 VanDerWaalsContact O-N 3.16Å; M245-V248 HydrophobicContact SD-CB 4.43Å; M245-V248 HydrophobicContact SD-CG2 4.05Å; V248-A252 HydrophobicContact CG1-CB 3.5Å; V248-K253 HydrophobicContact CG1-CG 4.26Å; V248-K253 VanDerWaalsContact O-CE 3.23Å; V248-K253 WeakPolarHBondContact O-CE 3.48Å; V248-K253 PolarHBondContact O-NZ 3.45Å; V248-K299 VanDerWaalsContact CG2-NZ 3.31Å
249S92.4Very high91.1Very high0 Ų057.9 Ų57.90%029%0.285CS..  trans-56146.9-179.8730000112.9E119 L251 A252 K253 Y289E119-S249 WeakPolarHBondContact OE1-CB 3.44Å; E119-S249 PolarHBondContact OE1-N 2.89Å; E119-S249 VanDerWaalsContact OE2-CB 3.23Å; E119-S249 WeakPolarHBondContact OE2-CB 3.4Å; E119-S249 PolarHBondContact OE2-OG 3.22Å; S249-L251 PolarHBondContact O-N 2.72Å; S249-A252 WeakPolarHBondContact O-CB 3.3Å; S249-A252 PolarHBondContact O-N 3.13Å; S249-A252 VanDerWaalsContact O-N 3.1Å; S249-A252 VanDerWaalsContact OG-CB 3.24Å; S249-A252 WeakPolarHBondContact OG-CB 3.09Å; S249-A252 PolarHBondContact OG-N 3.04Å; S249-K253 WeakPolarHBondContact O-CG 3.36Å; S249-K253 PolarHBondContact O-N 3.08Å; S249-Y289 VanDerWaalsContact CB-CE1 3.41Å
250D92.4Very high91.6Very high121 Ų12155.7 Ų55.765%0.64727%0.274SS*.Hα-helixtrans-61.1-29.6173.9-66.3-30.9000111.9K253 D254D250-K253 PolarHBondContact O-N 3.14Å; D250-D254 VanDerWaalsContact O-CB 3.29Å; D250-D254 WeakPolarHBondContact O-CB 3.34Å; D250-D254 PolarHBondContact O-N 2.87Å
251L94.5Very high92Very high37 Ų3754.8 Ų54.819%0.19427%0.273CS..Hα-helixtrans-68.3-40.1174.7-68.1-178000112.3S249 F255 H276 P277 W278 Q286S249-L251 PolarHBondContact O-N 2.72Å; L251-F255 WeakPolarHBondContact O-CB 3.49Å; L251-F255 PolarHBondContact O-N 3.13Å; L251-H276 PolarHBondContact O-CE1 2.88Å; L251-P277 HydrophobicContact CD1-CB 4.36Å; L251-P277 HydrophobicContact CD2-CB 4.07Å; L251-W278 HydrophobicContact CB-CB 3.99Å; L251-W278 HydrophobicContact CB-CG 4.34Å; L251-W278 WeakPolarHBondContact O-CB 3.25Å; L251-Q286 HydrophobicContact CD1-CB 4.25Å; L251-Q286 HydrophobicContact CD1-CG 3.94Å
252A95.3Very high92.4Very high0 Ų054.9 Ų54.90%026%0.261CS..Hα-helixtrans-65.7-42.8173.400000111.3L215 V248 S249 F255 I256 W278L215-A252 HydrophobicContact CD1-CB 3.71Å; V248-A252 HydrophobicContact CG1-CB 3.5Å; S249-A252 WeakPolarHBondContact O-CB 3.3Å; S249-A252 PolarHBondContact O-N 3.13Å; S249-A252 VanDerWaalsContact O-N 3.1Å; S249-A252 VanDerWaalsContact OG-CB 3.24Å; S249-A252 WeakPolarHBondContact OG-CB 3.09Å; S249-A252 PolarHBondContact OG-N 3.04Å; A252-F255 WeakPolarHBondContact O-CB 3.38Å; A252-F255 PolarHBondContact O-N 3.11Å; A252-I256 WeakPolarHBondContact O-CG1 3.37Å; A252-I256 PolarHBondContact O-N 3.36Å; A252-W278 HydrophobicContact CB-CD2 4.18Å; A252-W278 HydrophobicContact CB-CG 4.27Å; A252-W278 HydrophobicContact CB-CZ2 4.15Å
253K95.5Very high93Very high33 Ų3352.8 Ų52.814%0.14326%0.258CS..Hα-helixtrans-59.2-49175.1-72.1169.2179.3156.60111.4Y240 M245 V248 S249 D250 F255 I256 Q257Y240-K253 HydrophobicContact CD1-CG 4.39Å; M245-K253 HydrophobicContact CE-CG 3.73Å; M245-K253 WeakPolarHBondContact O-CE 3.4Å; M245-K253 PolarHBondContact O-NZ 3.4Å; V248-K253 HydrophobicContact CG1-CG 4.26Å; V248-K253 VanDerWaalsContact O-CE 3.23Å; V248-K253 WeakPolarHBondContact O-CE 3.48Å; V248-K253 PolarHBondContact O-NZ 3.45Å; S249-K253 WeakPolarHBondContact O-CG 3.36Å; S249-K253 PolarHBondContact O-N 3.08Å; D250-K253 PolarHBondContact O-N 3.14Å; K253-F255 VanDerWaalsContact C-N 3.31Å; K253-F255 PolarHBondContact O-N 3.29Å; K253-I256 PolarHBondContact O-N 3.5Å; K253-Q257 WeakPolarHBondContact O-CB 3.48Å; K253-Q257 VanDerWaalsContact O-CG 3.25Å; K253-Q257 WeakPolarHBondContact O-CG 3.48Å; K253-Q257 PolarHBondContact O-N 3.08Å
254D96.4Very high93.5Very high52 Ų5246.5 Ų46.528%0.27823%0.232SC..Hα-helixtrans-59.9-39.8176.3178.151.4000111.7D250 Q257 K258 H276D250-D254 VanDerWaalsContact O-CB 3.29Å; D250-D254 WeakPolarHBondContact O-CB 3.34Å; D250-D254 PolarHBondContact O-N 2.87Å; D254-Q257 PolarHBondContact O-N 3.41Å; D254-K258 WeakPolarHBondContact O-CG 3.34Å; D254-K258 PolarHBondContact O-N 3.34Å; D254-K258 VanDerWaalsContact O-N 3.13Å; D254-K258 WeakPolarHBondContact OD1-CE 3.4Å; D254-K258 IonicContact OD1-NZ 3.58Å; D254-K258 PolarHBondContact OD1-NZ 3.13Å; D254-K258 VanDerWaalsContact OD1-NZ 3.11Å; D254-K258 IonicContact OD2-NZ 2.65Å; D254-K258 PolarHBondContact OD2-NZ 2.98Å; D254-H276 IonicContact OD2-CE1 2.87Å; D254-H276 PolarHBondContact OD2-CE1 3.33Å; D254-H276 IonicContact OD2-NE2 3.05Å; D254-H276 PolarHBondContact OD2-NE2 3.46Å
255F97.8Very high94Very high1 Ų154.6 Ų54.60%0.00426%0.259CS..Hα-helixtrans-60.6-48.9174.5-178.9-98.5000112V126 L130 T211 L251 A252 K253 K258 L259 C273 H276 W278 I279V126-F255 HydrophobicContact CG1-CE1 3.94Å; V126-F255 HydrophobicContact CG1-CZ 3.94Å; L130-F255 HydrophobicContact CD1-CE2 4.35Å; L130-F255 HydrophobicContact CD1-CZ 4.05Å; T211-F255 HydrophobicContact CG2-CD1 4.01Å; T211-F255 HydrophobicContact CG2-CE1 4.05Å; L251-F255 WeakPolarHBondContact O-CB 3.49Å; L251-F255 PolarHBondContact O-N 3.13Å; A252-F255 WeakPolarHBondContact O-CB 3.38Å; A252-F255 PolarHBondContact O-N 3.11Å; K253-F255 VanDerWaalsContact C-N 3.31Å; K253-F255 PolarHBondContact O-N 3.29Å; F255-K258 PolarHBondContact O-N 3.41Å; F255-L259 HydrophobicContact CD1-CD1 3.96Å; F255-L259 HydrophobicContact CE1-CD1 3.4Å; F255-L259 VanDerWaalsContact CE1-CD1 3.4Å; F255-L259 HydrophobicContact CE2-CD1 4.39Å; F255-L259 HydrophobicContact CZ-CD1 3.66Å; F255-L259 PolarHBondContact O-N 2.92Å; F255-C273 HydrophobicContact CE2-CB 3.77Å; F255-C273 HydrophobicContact CZ-CB 4.25Å; F255-H276 HydrophobicContact CD2-CB 3.81Å; F255-H276 AromaticContact CD2-CG 3.63Å; F255-H276 AromaticContact CD2-ND1 3.63Å; F255-H276 HydrophobicContact CE2-CB 4.22Å; F255-H276 PolarHBondContact N-CE1 3.49Å; F255-W278 HydrophobicContact CB-CB 4.18Å; F255-W278 HydrophobicContact CB-CD2 4.44Å; F255-W278 HydrophobicContact CB-CE3 4.05Å; F255-W278 AromaticContact CD1-CE3 3.6Å; F255-W278 HydrophobicContact CD1-CE3 3.6Å; F255-W278 AromaticContact CD1-CZ3 3.74Å; F255-W278 HydrophobicContact CD1-CZ3 3.74Å; F255-W278 HydrophobicContact CD2-CE3 4.19Å; F255-W278 HydrophobicContact CE1-CE3 4.06Å; F255-W278 AromaticContact CE1-CZ3 3.89Å; F255-W278 HydrophobicContact CE1-CZ3 3.89Å; F255-W278 AromaticContact CG-CE3 3.68Å; F255-W278 HydrophobicContact CG-CE3 3.68Å; F255-W278 HydrophobicContact CG-CZ3 4.29Å; F255-I279 HydrophobicContact CD2-CG1 4.16Å; F255-I279 HydrophobicContact CE2-CD1 4.18Å; F255-I279 HydrophobicContact CE2-CG1 3.63Å; F255-I279 HydrophobicContact CZ-CD1 4.18Å; F255-I279 HydrophobicContact CZ-CG1 4.12Å
256I97.4Very high94.4Very high0 Ų062.2 Ų62.20%029%0.292CS..Hα-helixtrans-64.1-43178.2-64.8167.5000110.7T211 Y212 L215 Y240 M245 A252 K253 K258 L259 L260T211-I256 HydrophobicContact CG2-CD1 4.31Å; T211-I256 HydrophobicContact CG2-CG1 3.98Å; Y212-I256 HydrophobicContact CD2-CD1 4.25Å; Y212-I256 HydrophobicContact CD2-CG2 4.28Å; L215-I256 HydrophobicContact CD1-CD1 4.17Å; Y240-I256 HydrophobicContact CE1-CB 4.48Å; Y240-I256 HydrophobicContact CE1-CG2 4.16Å; M245-I256 HydrophobicContact CE-CD1 4.45Å; A252-I256 WeakPolarHBondContact O-CG1 3.37Å; A252-I256 PolarHBondContact O-N 3.36Å; K253-I256 PolarHBondContact O-N 3.5Å; I256-K258 PolarHBondContact O-N 2.94Å; I256-L259 PolarHBondContact O-N 3.38Å; I256-L260 HydrophobicContact CG2-CD1 3.51Å; I256-L260 HydrophobicContact CG2-CG 3.88Å; I256-L260 PolarHBondContact O-N 3.37Å
257Q97.1Very high95.1Very high93 Ų9355.7 Ų55.744%0.43526%0.262SS..Hα-helixtrans-61.2-31-179.8-76.4173.3-2.100113Y240 K253 D254 L259 V261Y240-Q257 HydrophobicContact CD2-CG 4.47Å; Y240-Q257 HydrophobicContact CE1-CG 3.89Å; Y240-Q257 HydrophobicContact CE2-CG 3.7Å; Y240-Q257 WeakPolarHBondContact OH-CG 3.32Å; K253-Q257 WeakPolarHBondContact O-CB 3.48Å; K253-Q257 VanDerWaalsContact O-CG 3.25Å; K253-Q257 WeakPolarHBondContact O-CG 3.48Å; K253-Q257 PolarHBondContact O-N 3.08Å; D254-Q257 PolarHBondContact O-N 3.41Å; Q257-L259 VanDerWaalsContact C-N 3.34Å; Q257-V261 WeakPolarHBondContact O-CG2 3.37Å
258K97.6Very high95.8Very high75 Ų7552 Ų5233%0.32624%0.243SC..Hα-helixtrans-75.7-20.5175-75.8173-174.4152.40113.9D254 F255 I256 S268 H276D254-K258 WeakPolarHBondContact O-CG 3.34Å; D254-K258 PolarHBondContact O-N 3.34Å; D254-K258 VanDerWaalsContact O-N 3.13Å; D254-K258 WeakPolarHBondContact OD1-CE 3.4Å; D254-K258 IonicContact OD1-NZ 3.58Å; D254-K258 PolarHBondContact OD1-NZ 3.13Å; D254-K258 VanDerWaalsContact OD1-NZ 3.11Å; D254-K258 IonicContact OD2-NZ 2.65Å; D254-K258 PolarHBondContact OD2-NZ 2.98Å; F255-K258 PolarHBondContact O-N 3.41Å; I256-K258 PolarHBondContact O-N 2.94Å; K258-S268 PolarHBondContact O-N 3.01Å; K258-H276 PolarHBondContact NZ-NE2 3.35Å
259L98.1Very high96.2Very high0 Ų055 Ų550%026%0.262CS..Hα-helixtrans-95.6-42178.5-70.6172.4000112.6M204 V207 F255 I256 Q257 V261 R267 C273M204-L259 HydrophobicContact CB-CD2 3.92Å; M204-L259 HydrophobicContact CE-CD2 3.58Å; M204-L259 WeakPolarHBondContact O-CD2 3.46Å; V207-L259 HydrophobicContact CG1-CD1 4.16Å; F255-L259 HydrophobicContact CD1-CD1 3.96Å; F255-L259 HydrophobicContact CE1-CD1 3.4Å; F255-L259 VanDerWaalsContact CE1-CD1 3.4Å; F255-L259 HydrophobicContact CE2-CD1 4.39Å; F255-L259 HydrophobicContact CZ-CD1 3.66Å; F255-L259 PolarHBondContact O-N 2.92Å; I256-L259 PolarHBondContact O-N 3.38Å; Q257-L259 VanDerWaalsContact C-N 3.34Å; L259-V261 PolarHBondContact O-N 3.23Å; L259-R267 WeakPolarHBondContact O-CD 3.38Å; L259-R267 WeakPolarHBondContact O-CG 3.3Å; L259-R267 PolarHBondContact O-NE 3.45Å; L259-C273 WeakPolarHBondContact CD2-SG 3.24Å
260L97.3Very high96.5Very high11 Ų1155.3 Ų55.36%0.05826%0.264CS..SBendtrans-83.857.9179.7-59.8-173.3000111.3W205 V209 P220 F221 C236 V238 I256W205-L260 HydrophobicContact CD2-CD2 4.04Å; W205-L260 HydrophobicContact CE3-CD2 4.07Å; W205-L260 HydrophobicContact CZ3-CB 4.41Å; W205-L260 HydrophobicContact CZ3-CD2 4.33Å; V209-L260 HydrophobicContact CG2-CD2 3.89Å; P220-L260 HydrophobicContact CB-CD1 4.47Å; P220-L260 HydrophobicContact CG-CD1 4.44Å; F221-L260 HydrophobicContact CE2-CD1 4.14Å; F221-L260 HydrophobicContact CE2-CD2 4.1Å; F221-L260 HydrophobicContact CZ-CD1 4.09Å; F221-L260 HydrophobicContact CZ-CD2 4.44Å; C236-L260 PolarHBondContact SG-O 3.29Å; V238-L260 HydrophobicContact CG2-CB 4.3Å; V238-L260 HydrophobicContact CG2-CD1 3.77Å; I256-L260 HydrophobicContact CG2-CD1 3.51Å; I256-L260 HydrophobicContact CG2-CG 3.88Å; I256-L260 PolarHBondContact O-N 3.37Å
261V96.8Very high96.8Very high34 Ų3454 Ų5421%0.20626%0.256CS..  trans-108.1124.5179.2-1780000109.5Q257 L259 N263 K266 R267Q257-V261 WeakPolarHBondContact O-CG2 3.37Å; L259-V261 PolarHBondContact O-N 3.23Å; V261-N263 VanDerWaalsContact C-N 3.32Å; V261-N263 PolarHBondContact O-N 2.84Å; V261-K266 HydrophobicContact CG1-CB 3.83Å; V261-R267 HydrophobicContact CB-CB 4.32Å; V261-R267 PolarHBondContact O-NE 3.32Å; V261-R267 VanDerWaalsContact O-NE 3.13Å; V261-R267 PolarHBondContact O-NH2 3.43Å
262K95.4Very high97Very high106 Ų10657.3 Ų57.346%0.46127%0.271SS..SBendtrans-56.9-40.1-178.7-175.5169.3179.8166.90113.9P190 L234 C236 P264P190-K262 HydrophobicContact CB-CG 4.42Å; L234-K262 WeakPolarHBondContact O-CE 3.09Å; L234-K262 PolarHBondContact O-NZ 3.08Å; C236-K262 HydrophobicContact CB-CB 3.96Å; C236-K262 HydrophobicContact CB-CD 4.3Å; C236-K262 HydrophobicContact CB-CG 4.46Å; K262-P264 WeakPolarHBondContact O-CD 3.28Å
263N95Very high97.1Very high68 Ų6857.4 Ų57.436%0.36427%0.272SS..SBendtrans-86114.8177.9-176.8-18.9000110V261 R265 K266 R267V261-N263 VanDerWaalsContact C-N 3.32Å; V261-N263 PolarHBondContact O-N 2.84Å; N263-R265 PolarHBondContact O-N 2.86Å; N263-R265 VanDerWaalsContact O-N 3.13Å; N263-R265 WeakPolarHBondContact OD1-CB 3.21Å; N263-R265 PolarHBondContact OD1-N 3.22Å; N263-K266 HydrophobicContact CB-CB 4.42Å; N263-K266 HydrophobicContact CB-CD 4.41Å; N263-K266 HydrophobicContact CB-CG 4.33Å; N263-K266 PolarHBondContact O-N 3.21Å; N263-R267 PolarHBondContact O-N 3.38Å
264P95.3Very high97.2Very high34 Ų3456.5 Ų56.522%0.22127%0.269CS..G310 helixtrans-59.6-28.3-177.422.6-33.2000113.1A201 K262 K266 R267A201-P264 HydrophobicContact CB-CB 3.72Å; A201-P264 WeakPolarHBondContact CB-O 3.45Å; K262-P264 WeakPolarHBondContact O-CD 3.28Å; P264-K266 VanDerWaalsContact C-N 3.28Å; P264-K266 PolarHBondContact O-N 2.96Å; P264-R267 WeakPolarHBondContact O-CB 3.43Å; P264-R267 PolarHBondContact O-N 3.27Å
265R95.5Very high97.3Very high234 Ų23459.5 Ų59.588%0.88328%0.281SS*.G310 helixtrans-71.9-19.1178.5-60-176.6-175.7174.61.3114.2N263N263-R265 PolarHBondContact O-N 2.86Å; N263-R265 VanDerWaalsContact O-N 3.13Å; N263-R265 WeakPolarHBondContact OD1-CB 3.21Å; N263-R265 PolarHBondContact OD1-N 3.22Å
266K96.9Very high97.2Very high160 Ų16060 Ų6070%0.69628%0.283SS*.G310 helixtrans-99.5-9.3177.7-66.6-173.5177.9-1750112.3V261 N263 P264V261-K266 HydrophobicContact CG1-CB 3.83Å; N263-K266 HydrophobicContact CB-CB 4.42Å; N263-K266 HydrophobicContact CB-CD 4.41Å; N263-K266 HydrophobicContact CB-CG 4.33Å; N263-K266 PolarHBondContact O-N 3.21Å; P264-K266 VanDerWaalsContact C-N 3.28Å; P264-K266 PolarHBondContact O-N 2.96Å
267R97.9Very high97.2Very high9 Ų960.9 Ų60.93%0.03429%0.289CS..SBendtrans-72.5136.8179.5-165.1176-60.8147.13.4109E191 A201 M204 L259 V261 N263 P264E191-R267 IonicContact OE1-CZ 3.79Å; E191-R267 IonicContact OE1-NH1 3.43Å; E191-R267 PolarHBondContact OE1-NH1 3.23Å; E191-R267 IonicContact OE1-NH2 3.94Å; E191-R267 IonicContact OE2-CZ 3.81Å; E191-R267 IonicContact OE2-NH1 2.72Å; E191-R267 PolarHBondContact OE2-NH1 3.18Å; E191-R267 IonicContact OE2-NH2 2.89Å; E191-R267 PolarHBondContact OE2-NH2 3.05Å; A201-R267 HydrophobicContact CB-CB 4.31Å; A201-R267 VanDerWaalsContact O-CD 3.3Å; A201-R267 WeakPolarHBondContact O-CD 3.35Å; A201-R267 PolarHBondContact O-NH1 3.28Å; M204-R267 HydrophobicContact CB-CG 4.42Å; L259-R267 WeakPolarHBondContact O-CD 3.38Å; L259-R267 WeakPolarHBondContact O-CG 3.3Å; L259-R267 PolarHBondContact O-NE 3.45Å; V261-R267 HydrophobicContact CB-CB 4.32Å; V261-R267 PolarHBondContact O-NE 3.32Å; V261-R267 VanDerWaalsContact O-NE 3.13Å; V261-R267 PolarHBondContact O-NH2 3.43Å; N263-R267 PolarHBondContact O-N 3.38Å; P264-R267 WeakPolarHBondContact O-CB 3.43Å; P264-R267 PolarHBondContact O-N 3.27Å
268S98Very high97.1Very high19 Ų1956.4 Ų56.413%0.13327%0.268CS..PPolyproline II helixtrans-62.9138.9179.1-77.60000112K258 E272K258-S268 PolarHBondContact O-N 3.01Å; S268-E272 WeakPolarHBondContact CA-OE2 3.38Å
269T98.3Very high97.1Very high69 Ų6953 Ų5342%0.42325%0.254SS..PPolyproline II helixtrans-76.2161.2173.664.30000111N271 E272 C273T269-N271 PolarHBondContact O-N 2.89Å; T269-E272 PolarHBondContact N-OE2 3.35Å; T269-E272 PolarHBondContact O-N 2.77Å; T269-E272 VanDerWaalsContact O-N 3.09Å; T269-E272 WeakPolarHBondContact OG1-CG 3.46Å; T269-E272 PolarHBondContact OG1-N 3.41Å; T269-E272 PolarHBondContact OG1-OE2 2.77Å; T269-C273 PolarHBondContact O-N 2.83Å; T269-C273 PolarHBondContact O-SG 3.1Å; T269-C273 VanDerWaalsContact O-SG 3.42Å
270V98.3Very high97Very high5 Ų558.3 Ų58.33%0.0328%0.276CS..Hα-helixtrans-54.7-38176.766.60000113.3L130 V133 Q134 H137 M204 C273 L274L130-V270 HydrophobicContact CB-CG2 4.27Å; L130-V270 HydrophobicContact CD2-CG2 4.04Å; L130-V270 WeakPolarHBondContact O-CG2 3.15Å; V133-V270 HydrophobicContact CB-CG2 4.22Å; V133-V270 HydrophobicContact CG1-CB 4.32Å; V133-V270 HydrophobicContact CG1-CG2 4.08Å; Q134-V270 HydrophobicContact CB-CG1 4.15Å; Q134-V270 HydrophobicContact CB-CG2 3.76Å; Q134-V270 HydrophobicContact CG-CG1 4.29Å; H137-V270 HydrophobicContact CB-CG1 4.44Å; M204-V270 HydrophobicContact CE-CB 4.21Å; M204-V270 HydrophobicContact SD-CB 3.8Å; M204-V270 HydrophobicContact SD-CG2 4.45Å; V270-C273 PolarHBondContact O-N 3.19Å; V270-L274 HydrophobicContact CG2-CD1 4.37Å; V270-L274 WeakPolarHBondContact O-CG 3.33Å; V270-L274 PolarHBondContact O-N 3.48Å
271N98Very high96.7Very high93 Ų9359.8 Ų59.850%0.49729%0.287SS..Hα-helixtrans-66.7-40178.2-69.5-38.9000112.3Q134 T269 Q275Q134-N271 PolarHBondContact NE2-OD1 2.95Å; T269-N271 PolarHBondContact O-N 2.89Å; N271-Q275 PolarHBondContact O-N 3.44Å
272E98.1Very high96.3Very high107 Ų10766.1 Ų66.150%0.531%0.312SS..Hα-helixtrans-67.3-40.4175.7-68.7167.7140.500111S268 T269 Q275 H276S268-E272 WeakPolarHBondContact CA-OE2 3.38Å; T269-E272 PolarHBondContact N-OE2 3.35Å; T269-E272 PolarHBondContact O-N 2.77Å; T269-E272 VanDerWaalsContact O-N 3.09Å; T269-E272 WeakPolarHBondContact OG1-CG 3.46Å; T269-E272 PolarHBondContact OG1-N 3.41Å; T269-E272 PolarHBondContact OG1-OE2 2.77Å; E272-Q275 CarbonylContact O-C 3.55Å; E272-Q275 PolarHBondContact O-N 3.4Å; E272-H276 PolarHBondContact O-N 3.41Å; E272-H276 VanDerWaalsContact O-N 3.14Å
273C98.4Very high96.1Very high3 Ų364.5 Ų64.52%0.0231%0.308CS..Hα-helixtrans-62.8-41.3176.1-71.40000112.7L130 M204 F255 L259 T269 V270 Q275 H276 I279L130-C273 HydrophobicContact CD1-CB 3.95Å; L130-C273 HydrophobicContact CD2-CB 3.78Å; M204-C273 HydrophobicContact CE-CB 4.22Å; F255-C273 HydrophobicContact CE2-CB 3.77Å; F255-C273 HydrophobicContact CZ-CB 4.25Å; L259-C273 WeakPolarHBondContact CD2-SG 3.24Å; T269-C273 PolarHBondContact O-N 2.83Å; T269-C273 PolarHBondContact O-SG 3.1Å; T269-C273 VanDerWaalsContact O-SG 3.42Å; V270-C273 PolarHBondContact O-N 3.19Å; C273-Q275 VanDerWaalsContact C-N 3.25Å; C273-Q275 PolarHBondContact O-N 2.72Å; C273-H276 WeakPolarHBondContact O-CB 3.04Å; C273-H276 PolarHBondContact O-N 2.88Å; C273-I279 WeakPolarHBondContact O-CG1 3.09Å
274L98Very high95.7Very high14 Ų1467.4 Ų67.47%0.07332%0.324CS..Hα-helixtrans-65.3-26.1176.1-76.5168.2000113.3Q127 L130 L131 Q134 V270Q127-L274 HydrophobicContact CG-CD2 4.22Å; L130-L274 HydrophobicContact CB-CD2 3.67Å; L130-L274 HydrophobicContact CB-CG 4Å; L130-L274 HydrophobicContact CD1-CD2 4.2Å; L130-L274 HydrophobicContact CD1-CG 4.44Å; L131-L274 HydrophobicContact CD2-CD1 4.3Å; L131-L274 HydrophobicContact CD2-CD2 4.05Å; L131-L274 HydrophobicContact CG-CD2 4.27Å; Q134-L274 HydrophobicContact CB-CD1 4.09Å; Q134-L274 VanDerWaalsContact CD-CD1 3.42Å; Q134-L274 HydrophobicContact CG-CD1 4.18Å; V270-L274 HydrophobicContact CG2-CD1 4.37Å; V270-L274 WeakPolarHBondContact O-CG 3.33Å; V270-L274 PolarHBondContact O-N 3.48Å
275Q97.5Very high95.3Very high114 Ų11473.8 Ų73.853%0.53335%0.348SS..THydrogen-bonded Turntrans-92.31.4173.3-58.1-50-51.200113.4N271 E272 C273N271-Q275 PolarHBondContact O-N 3.44Å; E272-Q275 CarbonylContact O-C 3.55Å; E272-Q275 PolarHBondContact O-N 3.4Å; C273-Q275 VanDerWaalsContact C-N 3.25Å; C273-Q275 PolarHBondContact O-N 2.72Å
276H97.5Very high94.8Very high11 Ų1164.8 Ų64.85%0.05132%0.316CS..SBendtrans-65.8138.5-178.2-164.7-96.1000111L251 D254 F255 K258 E272 C273 W278 I279 K280L251-H276 PolarHBondContact O-CE1 2.88Å; D254-H276 IonicContact OD2-CE1 2.87Å; D254-H276 PolarHBondContact OD2-CE1 3.33Å; D254-H276 IonicContact OD2-NE2 3.05Å; D254-H276 PolarHBondContact OD2-NE2 3.46Å; F255-H276 HydrophobicContact CD2-CB 3.81Å; F255-H276 AromaticContact CD2-CG 3.63Å; F255-H276 AromaticContact CD2-ND1 3.63Å; F255-H276 HydrophobicContact CE2-CB 4.22Å; F255-H276 PolarHBondContact N-CE1 3.49Å; K258-H276 PolarHBondContact NZ-NE2 3.35Å; E272-H276 PolarHBondContact O-N 3.41Å; E272-H276 VanDerWaalsContact O-N 3.14Å; C273-H276 WeakPolarHBondContact O-CB 3.04Å; C273-H276 PolarHBondContact O-N 2.88Å; H276-W278 WeakPolarHBondContact ND1-CB 3.48Å; H276-W278 PolarHBondContact ND1-N 3.41Å; H276-W278 PolarHBondContact O-N 3.29Å; H276-I279 PolarHBondContact O-N 2.83Å; H276-K280 PolarHBondContact O-N 2.84Å
277P96Very high94.1Very high19 Ų1957.8 Ų57.812%0.12329%0.287CS..THydrogen-bonded Turntrans-56.5-28.8-178.8-25.333.3000114.5L251 K280 P281 K282L251-P277 HydrophobicContact CD1-CB 4.36Å; L251-P277 HydrophobicContact CD2-CB 4.07Å; P277-K280 WeakPolarHBondContact CA-O 3.35Å; P277-K280 CarbonylContact O-C 3.51Å; P277-P281 WeakPolarHBondContact O-CA 3.38Å; P277-K282 HydrophobicContact CG-CD 4.34Å
278W96.2Very high93.3Very high0 Ų061 Ų610%031%0.305CS..THydrogen-bonded Turntrans-68.7-32.1174.4-170.365.5000113.1E119 V126 T211 L215 L251 A252 F255 H276 R290E119-W278 PolarHBondContact OE2-NE1 3.25Å; V126-W278 HydrophobicContact CB-CZ3 4.2Å; V126-W278 HydrophobicContact CG1-CZ3 4.19Å; V126-W278 HydrophobicContact CG2-CH2 4.15Å; V126-W278 HydrophobicContact CG2-CZ3 4.18Å; T211-W278 HydrophobicContact CG2-CH2 3.68Å; T211-W278 HydrophobicContact CG2-CZ3 3.69Å; L215-W278 HydrophobicContact CD1-CH2 4.15Å; L215-W278 HydrophobicContact CD1-CZ2 3.9Å; L215-W278 HydrophobicContact CD2-CH2 4.46Å; L215-W278 HydrophobicContact CD2-CZ2 4.06Å; L215-W278 HydrophobicContact CG-CZ2 4.48Å; L251-W278 HydrophobicContact CB-CB 3.99Å; L251-W278 HydrophobicContact CB-CG 4.34Å; L251-W278 WeakPolarHBondContact O-CB 3.25Å; A252-W278 HydrophobicContact CB-CD2 4.18Å; A252-W278 HydrophobicContact CB-CG 4.27Å; A252-W278 HydrophobicContact CB-CZ2 4.15Å; F255-W278 HydrophobicContact CB-CB 4.18Å; F255-W278 HydrophobicContact CB-CD2 4.44Å; F255-W278 HydrophobicContact CB-CE3 4.05Å; F255-W278 AromaticContact CD1-CE3 3.6Å; F255-W278 HydrophobicContact CD1-CE3 3.6Å; F255-W278 AromaticContact CD1-CZ3 3.74Å; F255-W278 HydrophobicContact CD1-CZ3 3.74Å; F255-W278 HydrophobicContact CD2-CE3 4.19Å; F255-W278 HydrophobicContact CE1-CE3 4.06Å; F255-W278 AromaticContact CE1-CZ3 3.89Å; F255-W278 HydrophobicContact CE1-CZ3 3.89Å; F255-W278 AromaticContact CG-CE3 3.68Å; F255-W278 HydrophobicContact CG-CE3 3.68Å; F255-W278 HydrophobicContact CG-CZ3 4.29Å; H276-W278 WeakPolarHBondContact ND1-CB 3.48Å; H276-W278 PolarHBondContact ND1-N 3.41Å; H276-W278 PolarHBondContact O-N 3.29Å; W278-R290 VanDerWaalsContact O-CD 3.3Å; W278-R290 WeakPolarHBondContact O-CD 3.13Å; W278-R290 PolarHBondContact O-NE 3.45Å; W278-R290 PolarHBondContact O-NH1 3.46Å
279I96.7Very high92.5Very high4 Ų466.1 Ų66.12%0.02132%0.322CS..THydrogen-bonded Turntrans-88.3-48.5176.8-62.6-60.7000110.6V126 Q127 L130 F255 C273 H276 R290V126-I279 HydrophobicContact CB-CD1 4.19Å; V126-I279 HydrophobicContact CG1-CD1 3.93Å; Q127-I279 HydrophobicContact CB-CG2 3.96Å; Q127-I279 HydrophobicContact CG-CG2 3.93Å; L130-I279 HydrophobicContact CD1-CD1 4.13Å; L130-I279 HydrophobicContact CD1-CG1 4.02Å; F255-I279 HydrophobicContact CD2-CG1 4.16Å; F255-I279 HydrophobicContact CE2-CD1 4.18Å; F255-I279 HydrophobicContact CE2-CG1 3.63Å; F255-I279 HydrophobicContact CZ-CD1 4.18Å; F255-I279 HydrophobicContact CZ-CG1 4.12Å; C273-I279 WeakPolarHBondContact O-CG1 3.09Å; H276-I279 PolarHBondContact O-N 2.83Å; I279-R290 PolarHBondContact O-NH1 3.27Å
280K94.9Very high91.8Very high110 Ų11063.2 Ų63.248%0.47830%0.304SS..SBendtrans-120.692.5-179.3-174177.5175.7-176.50109.8H276 P277H276-K280 PolarHBondContact O-N 2.84Å; P277-K280 WeakPolarHBondContact CA-O 3.35Å; P277-K280 CarbonylContact O-C 3.51Å
281P91.1Very high91Very high43 Ų4367.4 Ų67.428%0.27932%0.319SS..  trans-59.1141-178.4-23.836.4000111.1P277 Q286 R290P277-P281 WeakPolarHBondContact O-CA 3.38Å; P281-Q286 HydrophobicContact CB-CB 3.93Å; P281-R290 VanDerWaalsContact CD-NH1 3.25Å
282K90Very high90.2Very high166 Ų16669 Ų6972%0.72233%0.327SS*.SBendtrans-84.7-24.5179.2-66.8179.9173.3174.90112.7P277P277-K282 HydrophobicContact CG-CD 4.34Å
283D90.3Very high89.4Confident72 Ų7264.6 Ų64.639%0.38531%0.308SS..SBendtrans-144.9170-17966.715.2000112.2K285 Q286 S287D283-K285 PolarHBondContact O-N 2.98Å; D283-K285 PolarHBondContact OD1-N 3.33Å; D283-Q286 PolarHBondContact O-N 3.3Å; D283-Q286 WeakPolarHBondContact OD1-CB 3.42Å; D283-Q286 WeakPolarHBondContact OD1-CG 3.48Å; D283-Q286 PolarHBondContact OD1-N 3.3Å; D283-S287 PolarHBondContact O-N 3.31Å
284N87.1Confident88.6Confident130 Ų13067.4 Ų67.470%0.69532%0.323SS*.Hα-helixtrans-64.9-27.7178.6-71.2-16.9000112.2S287 N288N284-S287 WeakPolarHBondContact CA-OG 3.47Å; N284-S287 PolarHBondContact O-N 2.87Å; N284-S287 PolarHBondContact O-OG 2.79Å; N284-N288 WeakPolarHBondContact O-CB 3.43Å; N284-N288 PolarHBondContact O-N 3.45Å; N284-N288 PolarHBondContact O-ND2 3.02Å
285K86Confident87.8Confident168 Ų16867.1 Ų67.173%0.7332%0.321SS*.Hα-helixtrans-65.2-48.3179.9-66.5-178178.7-179.50111.1D283 S287 N288 Y289D283-K285 PolarHBondContact O-N 2.98Å; D283-K285 PolarHBondContact OD1-N 3.33Å; K285-S287 VanDerWaalsContact C-N 3.29Å; K285-S287 PolarHBondContact O-N 2.86Å; K285-N288 PolarHBondContact O-N 3.24Å; K285-Y289 WeakPolarHBondContact O-CB 3.35Å; K285-Y289 PolarHBondContact O-N 2.99Å
286Q86.2Confident86.9Confident44 Ų4463 Ų6321%0.20631%0.305CS..Hα-helixtrans-61.4-39.8175.1-70.3177-8.300111.4L251 P281 D283 Y289 R290L251-Q286 HydrophobicContact CD1-CB 4.25Å; L251-Q286 HydrophobicContact CD1-CG 3.94Å; P281-Q286 HydrophobicContact CB-CB 3.93Å; D283-Q286 PolarHBondContact O-N 3.3Å; D283-Q286 WeakPolarHBondContact OD1-CB 3.42Å; D283-Q286 WeakPolarHBondContact OD1-CG 3.48Å; D283-Q286 PolarHBondContact OD1-N 3.3Å; Q286-Y289 PolarHBondContact O-N 3.42Å; Q286-R290 PolarHBondContact O-N 3.34Å; Q286-R290 VanDerWaalsContact O-N 3.1Å
287S82.6Confident86.1Confident13 Ų1371 Ų719%0.09134%0.335CS..Hα-helixtrans-64.2-41.2177.282.50000112.6D283 N284 K285 R291D283-S287 PolarHBondContact O-N 3.31Å; N284-S287 WeakPolarHBondContact CA-OG 3.47Å; N284-S287 PolarHBondContact O-N 2.87Å; N284-S287 PolarHBondContact O-OG 2.79Å; K285-S287 VanDerWaalsContact C-N 3.29Å; K285-S287 PolarHBondContact O-N 2.86Å; S287-R291 WeakPolarHBondContact O-CG 3.44Å; S287-R291 PolarHBondContact O-N 3.03Å; S287-R291 PolarHBondContact OG-NH1 3.42Å
288N81.1Confident85.4Confident78 Ų7877 Ų7742%0.41736%0.361SS..Hα-helixtrans-69.7-41.7178.2-69.1-14.8000110.8N284 K285 R290 R291 D292N284-N288 WeakPolarHBondContact O-CB 3.43Å; N284-N288 PolarHBondContact O-N 3.45Å; N284-N288 PolarHBondContact O-ND2 3.02Å; K285-N288 PolarHBondContact O-N 3.24Å; N288-R290 VanDerWaalsContact C-N 3.32Å; N288-R290 PolarHBondContact O-N 3.42Å; N288-R291 WeakPolarHBondContact O-CB 3.5Å; N288-R291 PolarHBondContact O-N 3.31Å; N288-R291 PolarHBondContact OD1-NH1 2.92Å; N288-D292 PolarHBondContact O-N 3.13Å
289Y81.1Confident84.6Confident126 Ų12677.4 Ų77.449%0.49436%0.363SS..Hα-helixtrans-59-42.3176.9-167.7-95.8000112.4S249 K285 Q286 R291 D292 S293S249-Y289 VanDerWaalsContact CB-CE1 3.41Å; K285-Y289 WeakPolarHBondContact O-CB 3.35Å; K285-Y289 PolarHBondContact O-N 2.99Å; Q286-Y289 PolarHBondContact O-N 3.42Å; Y289-R291 VanDerWaalsContact C-N 3.33Å; Y289-R291 PolarHBondContact O-N 2.98Å; Y289-D292 PolarHBondContact O-N 3.09Å; Y289-S293 WeakPolarHBondContact CE1-OG 3.15Å; Y289-S293 VanDerWaalsContact O-CB 3.27Å; Y289-S293 WeakPolarHBondContact O-CB 3.18Å; Y289-S293 PolarHBondContact O-N 3.21Å; Y289-S293 PolarHBondContact O-OG 2.78Å
290R82.7Confident83.9Confident8 Ų877.4 Ų77.43%0.0336%0.363CS..Hα-helixtrans-62.9-36.4173.9-82.7176.151.8-167.8-13.9113.4E119 E120 S123 W278 I279 P281 Q286 N288E119-R290 PolarHBondContact N-O 2.85Å; E120-R290 HydrophobicContact CB-CB 4.27Å; E120-R290 PolarHBondContact N-O 2.87Å; S123-R290 PolarHBondContact OG-NE 3.02Å; S123-R290 VanDerWaalsContact OG-NE 3.1Å; S123-R290 PolarHBondContact OG-NH2 2.89Å; W278-R290 VanDerWaalsContact O-CD 3.3Å; W278-R290 WeakPolarHBondContact O-CD 3.13Å; W278-R290 PolarHBondContact O-NE 3.45Å; W278-R290 PolarHBondContact O-NH1 3.46Å; I279-R290 PolarHBondContact O-NH1 3.27Å; P281-R290 VanDerWaalsContact CD-NH1 3.25Å; Q286-R290 PolarHBondContact O-N 3.34Å; Q286-R290 VanDerWaalsContact O-N 3.1Å; N288-R290 VanDerWaalsContact C-N 3.32Å; N288-R290 PolarHBondContact O-N 3.42Å
291R82Confident83.2Confident93 Ų9374.6 Ų74.635%0.35136%0.357SS..Hα-helixtrans-68-42.4177-77.8177.4-161.611613.1112.2E120 S287 N288 Y289E120-R291 HydrophobicContact CB-CG 4.18Å; E120-R291 VanDerWaalsContact CD-CG 3.42Å; E120-R291 HydrophobicContact CG-CG 4.33Å; E120-R291 IonicContact OE1-CZ 2.9Å; E120-R291 IonicContact OE1-NE 3.44Å; E120-R291 PolarHBondContact OE1-NE 3.48Å; E120-R291 IonicContact OE1-NH2 2.74Å; E120-R291 PolarHBondContact OE1-NH2 2.89Å; E120-R291 WeakPolarHBondContact OE2-CG 3.18Å; E120-R291 IonicContact OE2-NE 2.76Å; E120-R291 PolarHBondContact OE2-NE 3.2Å; S287-R291 WeakPolarHBondContact O-CG 3.44Å; S287-R291 PolarHBondContact O-N 3.03Å; S287-R291 PolarHBondContact OG-NH1 3.42Å; N288-R291 WeakPolarHBondContact O-CB 3.5Å; N288-R291 PolarHBondContact O-N 3.31Å; N288-R291 PolarHBondContact OD1-NH1 2.92Å; Y289-R291 VanDerWaalsContact C-N 3.33Å; Y289-R291 PolarHBondContact O-N 2.98Å
292D80.2Confident82.7Confident125 Ų12574.5 Ų74.567%0.66836%0.358SS*.Hα-helixtrans-80.4-23.5-175-60.2-23.6000111.8N288 Y289 L294N288-D292 PolarHBondContact O-N 3.13Å; Y289-D292 PolarHBondContact O-N 3.09Å; D292-L294 PolarHBondContact O-N 3.39Å
293S82.8Confident82.4Confident15 Ų1566.7 Ų66.711%0.10532%0.324CS..  trans-75.6107175.9-59.70000110.5S118 E119 Y289S118-S293 WeakPolarHBondContact CA-O 3.27Å; E119-S293 PolarHBondContact N-O 3.39Å; Y289-S293 WeakPolarHBondContact CE1-OG 3.15Å; Y289-S293 VanDerWaalsContact O-CB 3.27Å; Y289-S293 WeakPolarHBondContact O-CB 3.18Å; Y289-S293 PolarHBondContact O-N 3.21Å; Y289-S293 PolarHBondContact O-OG 2.78Å
294L80.9Confident82Confident62 Ų6269.2 Ų69.233%0.32533%0.328SS..EExtended strand (participates in β ladder)trans-104.2137.5179.8-64170.6000111.1R116 D292 S296R116-L294 VanDerWaalsContact CZ-CD1 3.42Å; D292-L294 PolarHBondContact O-N 3.39Å; L294-S296 PolarHBondContact O-N 2.74Å
295I80.8Confident81.8Confident8 Ų869 Ų694%0.04132%0.322CS..EExtended strand (participates in β ladder)trans-74.3120.6170.7-61.7164.9000107.1L117 A122 L215 K299 L300L117-I295 HydrophobicContact CB-CB 4.39Å; L117-I295 HydrophobicContact CB-CD1 4.1Å; L117-I295 HydrophobicContact CD2-CD1 3.53Å; L117-I295 HydrophobicContact CG-CD1 3.88Å; L117-I295 WeakPolarHBondContact O-CB 3.35Å; L117-I295 PolarHBondContact O-N 2.99Å; A122-I295 HydrophobicContact CB-CD1 4.03Å; L215-I295 HydrophobicContact CD2-CD1 3.8Å; L215-I295 HydrophobicContact CD2-CG1 4.39Å; I295-K299 HydrophobicContact CG2-CB 3.71Å; I295-K299 HydrophobicContact CG2-CD 3.9Å; I295-L300 HydrophobicContact CG2-CD2 3.92Å; I295-L300 HydrophobicContact CG2-CG 4.16Å
296S79.4Confident81.6Confident29 Ų2961.7 Ų61.720%0.20329%0.291CS..  trans-63.8154.1-176.869.60000111.9L294 E298 K299 L300L294-S296 PolarHBondContact O-N 2.74Å; S296-E298 PolarHBondContact O-N 3.39Å; S296-K299 WeakPolarHBondContact O-CB 3.43Å; S296-K299 PolarHBondContact O-N 3.49Å; S296-K299 VanDerWaalsContact O-N 3.07Å; S296-K299 WeakPolarHBondContact OG-CD 3.37Å; S296-K299 WeakPolarHBondContact OG-CG 3.27Å; S296-L300 PolarHBondContact O-N 3.05Å
297R80.2Confident81.4Confident179 Ų17960.4 Ų60.468%0.67529%0.285SS*.Hα-helixtrans-58.4-31.1177-175.1178.9172.7131.5-1.4112.7L300 S301R297-L300 PolarHBondContact O-N 3.45Å; R297-S301 WeakPolarHBondContact O-CB 3.43Å; R297-S301 PolarHBondContact O-N 3.15Å; R297-S301 PolarHBondContact O-OG 3.37Å
298E80.5Confident81.2Confident144 Ų14463.2 Ų63.267%0.67331%0.309SS*.Hα-helixtrans-63.5-41.5176.2-65.1146.2175.400111.5S296 S301 S302S296-E298 PolarHBondContact O-N 3.39Å; E298-S301 WeakPolarHBondContact O-CB 3.31Å; E298-S301 PolarHBondContact O-N 2.92Å; E298-S302 PolarHBondContact O-N 3.44Å; E298-S302 PolarHBondContact O-OG 2.76Å
299K81.2Confident80.9Confident9 Ų962.8 Ų62.84%0.03931%0.309CS..Hα-helixtrans-67.6-40.3176.7-65.8166.5172.1-153.70111.8L215 T216 E244 V248 I295 S296 S301 S302 L303L215-K299 WeakPolarHBondContact O-CD 3.42Å; T216-K299 WeakPolarHBondContact O-CB 3.19Å; E244-K299 WeakPolarHBondContact O-CE 3.43Å; E244-K299 PolarHBondContact O-NZ 3.35Å; V248-K299 VanDerWaalsContact CG2-NZ 3.31Å; I295-K299 HydrophobicContact CG2-CB 3.71Å; I295-K299 HydrophobicContact CG2-CD 3.9Å; S296-K299 WeakPolarHBondContact O-CB 3.43Å; S296-K299 PolarHBondContact O-N 3.49Å; S296-K299 VanDerWaalsContact O-N 3.07Å; S296-K299 WeakPolarHBondContact OG-CD 3.37Å; S296-K299 WeakPolarHBondContact OG-CG 3.27Å; K299-S301 VanDerWaalsContact C-N 3.29Å; K299-S301 PolarHBondContact O-N 3.26Å; K299-S302 WeakPolarHBondContact O-CB 3.37Å; K299-S302 PolarHBondContact O-N 3.17Å; K299-L303 WeakPolarHBondContact O-CB 3.06Å; K299-L303 PolarHBondContact O-N 2.59Å
300L81.9Confident80.2Confident4 Ų459.6 Ų59.62%0.02130%0.301CS..Hα-helixtrans-65.5-34.7174-60.6178.3000111.7V111 C114 L117 I295 S296 R297 L303 R304V111-L300 HydrophobicContact CG1-CD2 3.89Å; C114-L300 WeakPolarHBondContact O-CD1 3.37Å; L117-L300 HydrophobicContact CB-CD2 4.36Å; I295-L300 HydrophobicContact CG2-CD2 3.92Å; I295-L300 HydrophobicContact CG2-CG 4.16Å; S296-L300 PolarHBondContact O-N 3.05Å; R297-L300 PolarHBondContact O-N 3.45Å; L300-L303 PolarHBondContact O-N 2.82Å; L300-R304 PolarHBondContact O-N 2.7Å
301S79.3Confident78.8Confident51 Ų5163.9 Ų63.936%0.35733%0.33SS..Hα-helixtrans-68.6-39.4173.3-560000111.8R297 E298 K299 L303 R304 H305R297-S301 WeakPolarHBondContact O-CB 3.43Å; R297-S301 PolarHBondContact O-N 3.15Å; R297-S301 PolarHBondContact O-OG 3.37Å; E298-S301 WeakPolarHBondContact O-CB 3.31Å; E298-S301 PolarHBondContact O-N 2.92Å; K299-S301 VanDerWaalsContact C-N 3.29Å; K299-S301 PolarHBondContact O-N 3.26Å; S301-L303 VanDerWaalsContact C-N 3.33Å; S301-R304 WeakPolarHBondContact O-CB 3.43Å; S301-R304 PolarHBondContact O-N 3.13Å; S301-H305 PolarHBondContact O-N 3.07Å
302S81.5Confident77.2Confident41 Ų4164.7 Ų64.729%0.28734%0.341SS..Hα-helixtrans-63.7-41.1173.7-57.20000110.7G217 E298 K299 R304 H305 F306G217-S302 CarbonylContact O-C 3.56Å; G217-S302 VanDerWaalsContact O-O 3.09Å; E298-S302 PolarHBondContact O-N 3.44Å; E298-S302 PolarHBondContact O-OG 2.76Å; K299-S302 WeakPolarHBondContact O-CB 3.37Å; K299-S302 PolarHBondContact O-N 3.17Å; S302-R304 VanDerWaalsContact C-N 3.35Å; S302-R304 PolarHBondContact O-N 2.98Å; S302-H305 WeakPolarHBondContact O-CA 3.31Å; S302-H305 WeakPolarHBondContact O-CB 3.44Å; S302-H305 PolarHBondContact O-N 3.25Å; S302-H305 VanDerWaalsContact O-N 3.11Å; S302-F306 PolarHBondContact O-N 3.32Å
303L82.5Confident75.3Confident1 Ų159.9 Ų59.91%0.00532%0.316CS..Hα-helixtrans-61.7-43.8175-17960.3000111.5F108 V111 A112 I213 G217 K299 L300 S301 H305 F306 I307F108-L303 HydrophobicContact CB-CD1 4.49Å; F108-L303 HydrophobicContact CD1-CD1 3.83Å; F108-L303 HydrophobicContact CD1-CD2 4.36Å; V111-L303 HydrophobicContact CB-CD2 4.28Å; V111-L303 HydrophobicContact CG1-CD2 3.82Å; A112-L303 HydrophobicContact CB-CB 4.35Å; A112-L303 HydrophobicContact CB-CD2 4.12Å; A112-L303 HydrophobicContact CB-CG 4.05Å; I213-L303 HydrophobicContact CG2-CD1 3.56Å; G217-L303 PolarHBondContact O-N 3.14Å; K299-L303 WeakPolarHBondContact O-CB 3.06Å; K299-L303 PolarHBondContact O-N 2.59Å; L300-L303 PolarHBondContact O-N 2.82Å; S301-L303 VanDerWaalsContact C-N 3.33Å; L303-H305 VanDerWaalsContact C-N 3.25Å; L303-H305 PolarHBondContact O-N 3.43Å; L303-F306 HydrophobicContact CD1-CD1 4.34Å; L303-F306 WeakPolarHBondContact O-CB 3.32Å; L303-F306 PolarHBondContact O-N 3.33Å; L303-I307 HydrophobicContact CD1-CG1 4.29Å; L303-I307 WeakPolarHBondContact O-CG1 3.49Å; L303-I307 PolarHBondContact O-N 3.31Å
304R83Confident72.8Confident126 Ų12662.1 Ų62.148%0.47533%0.332SS..Hα-helixtrans-57.4-42.7174.2-169.2-177.8-62149.57.5111.4A112 D113 L300 S301 S302 A308A112-R304 HydrophobicContact CB-CB 4Å; A112-R304 PolarHBondContact O-NH2 3.19Å; D113-R304 IonicContact OD1-NE 2.92Å; L300-R304 PolarHBondContact O-N 2.7Å; S301-R304 WeakPolarHBondContact O-CB 3.43Å; S301-R304 PolarHBondContact O-N 3.13Å; S302-R304 VanDerWaalsContact C-N 3.35Å; S302-R304 PolarHBondContact O-N 2.98Å; R304-A308 WeakPolarHBondContact O-CB 3.43Å; R304-A308 PolarHBondContact O-N 3.1Å
305H82.2Confident70.6Confident125 Ų12563.9 Ų63.958%0.57935%0.345SS*.Hα-helixtrans-63.7-48.2176.9-174.666.3000111.4S301 S302 L303 I307 A308 T309S301-H305 PolarHBondContact O-N 3.07Å; S302-H305 WeakPolarHBondContact O-CA 3.31Å; S302-H305 WeakPolarHBondContact O-CB 3.44Å; S302-H305 PolarHBondContact O-N 3.25Å; S302-H305 VanDerWaalsContact O-N 3.11Å; L303-H305 VanDerWaalsContact C-N 3.25Å; L303-H305 PolarHBondContact O-N 3.43Å; H305-I307 VanDerWaalsContact C-N 3.33Å; H305-I307 PolarHBondContact O-N 3.38Å; H305-A308 CarbonylContact O-C 3.55Å; H305-A308 PolarHBondContact O-N 3.15Å; H305-A308 VanDerWaalsContact O-N 3.07Å; H305-T309 VanDerWaalsContact CE1-CG2 3.42Å; H305-T309 WeakPolarHBondContact CE1-CG2 3.29Å; H305-T309 WeakPolarHBondContact NE2-CG2 3.4Å; H305-T309 WeakPolarHBondContact O-CG2 3.28Å; H305-T309 PolarHBondContact O-N 3.49Å; H305-T309 PolarHBondContact O-OG1 3.15Å; H305-T309 VanDerWaalsContact O-OG1 3.05Å
306F81.9Confident68.2Low14 Ų1466.3 Ų66.36%0.06136%0.358CS..Hα-helixtrans-54.9-45.7177.5172.7-92.8000112.7P148 E186 F187 I213 G217 S302 L303 T309 N310P148-F306 HydrophobicContact CG-CE1 4.21Å; E186-F306 WeakPolarHBondContact OE2-CE2 3.48Å; E186-F306 WeakPolarHBondContact OE2-CZ 3.49Å; F187-F306 HydrophobicContact CZ-CZ 4.21Å; I213-F306 HydrophobicContact CD1-CE1 4.03Å; I213-F306 HydrophobicContact CD1-CE2 4.21Å; I213-F306 HydrophobicContact CD1-CZ 3.66Å; I213-F306 HydrophobicContact CG1-CZ 4.44Å; I213-F306 HydrophobicContact CG2-CD1 3.85Å; I213-F306 HydrophobicContact CG2-CE1 3.89Å; I213-F306 HydrophobicContact CG2-CG 4.44Å; I213-F306 HydrophobicContact CG2-CZ 4.48Å; G217-F306 WeakPolarHBondContact O-CB 3.41Å; S302-F306 PolarHBondContact O-N 3.32Å; L303-F306 HydrophobicContact CD1-CD1 4.34Å; L303-F306 WeakPolarHBondContact O-CB 3.32Å; L303-F306 PolarHBondContact O-N 3.33Å; F306-T309 WeakPolarHBondContact CA-OG1 3.44Å; F306-T309 PolarHBondContact O-N 3Å; F306-T309 PolarHBondContact O-OG1 2.76Å; F306-T309 VanDerWaalsContact O-OG1 3.09Å; F306-N310 WeakPolarHBondContact CD2-ND2 3.44Å; F306-N310 WeakPolarHBondContact CE2-ND2 3.34Å; F306-N310 PolarHBondContact O-N 3.34Å; F306-N310 PolarHBondContact O-ND2 3.45Å
307I80.9Confident65.7Low17 Ų1768.6 Ų68.69%0.08737%0.374CS..Hα-helixtrans-63.3-43.4176.3-66.1-62.6000110.7F108 A109 P148 L303 H305 T309 T313F108-I307 HydrophobicContact CB-CD1 3.7Å; F108-I307 HydrophobicContact CB-CG1 4.27Å; A109-I307 HydrophobicContact CB-CG2 4.5Å; P148-I307 HydrophobicContact CB-CD1 3.99Å; L303-I307 HydrophobicContact CD1-CG1 4.29Å; L303-I307 WeakPolarHBondContact O-CG1 3.49Å; L303-I307 PolarHBondContact O-N 3.31Å; H305-I307 VanDerWaalsContact C-N 3.33Å; H305-I307 PolarHBondContact O-N 3.38Å; I307-T309 PolarHBondContact O-N 3.45Å; I307-T313 HydrophobicContact CG2-CG2 4.11Å; I307-T313 PolarHBondContact O-OG1 3.21Å; I307-T313 VanDerWaalsContact O-OG1 3.14Å
308A79.1Confident63.3Low72 Ų7264.4 Ų64.460%0.59536%0.364SS*.Hα-helixtrans-69.3-30.9179.200000113.9R304 H305R304-A308 WeakPolarHBondContact O-CB 3.43Å; R304-A308 PolarHBondContact O-N 3.1Å; H305-A308 CarbonylContact O-C 3.55Å; H305-A308 PolarHBondContact O-N 3.15Å; H305-A308 VanDerWaalsContact O-N 3.07Å
309T74.6Confident60.7Low69 Ų6965.3 Ų65.342%0.42337%0.366SS..Hα-helixtrans-84-14.9-178.851.20000114.2H305 F306 I307 P311H305-T309 VanDerWaalsContact CE1-CG2 3.42Å; H305-T309 WeakPolarHBondContact CE1-CG2 3.29Å; H305-T309 WeakPolarHBondContact NE2-CG2 3.4Å; H305-T309 WeakPolarHBondContact O-CG2 3.28Å; H305-T309 PolarHBondContact O-N 3.49Å; H305-T309 PolarHBondContact O-OG1 3.15Å; H305-T309 VanDerWaalsContact O-OG1 3.05Å; F306-T309 WeakPolarHBondContact CA-OG1 3.44Å; F306-T309 PolarHBondContact O-N 3Å; F306-T309 PolarHBondContact O-OG1 2.76Å; F306-T309 VanDerWaalsContact O-OG1 3.09Å; I307-T309 PolarHBondContact O-N 3.45Å; T309-P311 WeakPolarHBondContact O-CD 3.34Å
310N67.2Low58.2Low60 Ų6071.9 Ų71.932%0.32140%0.401SS..SBendtrans-111.367.6176-67.4-50.9000110.5F306 N312 T313F306-N310 WeakPolarHBondContact CD2-ND2 3.44Å; F306-N310 WeakPolarHBondContact CE2-ND2 3.34Å; F306-N310 PolarHBondContact O-N 3.34Å; F306-N310 PolarHBondContact O-ND2 3.45Å; N310-N312 PolarHBondContact O-N 3.26Å; N310-T313 PolarHBondContact O-N 2.85Å; N310-T313 PolarHBondContact O-OG1 3.2Å
311P52Low55.5Low97 Ų9778.2 Ų78.263%0.6344%0.436SS*.THydrogen-bonded Turntrans-72.522.7-17233-38.5000115.6T309 T313T309-P311 WeakPolarHBondContact O-CD 3.34Å; P311-T313 WeakPolarHBondContact CA-OG1 3.16Å; P311-T313 PolarHBondContact O-N 3.07Å
312N49.4Very low53.2Low110 Ų11082.3 Ų82.359%0.58845%0.453SS*.THydrogen-bonded Turntrans-64.1-11.9153.8-67.5-14.7000110.7E149 N310 S314E149-N312 VanDerWaalsContact OE2-C 3.26Å; E149-N312 WeakPolarHBondContact OE2-CB 3Å; N310-N312 PolarHBondContact O-N 3.26Å; N312-S314 VanDerWaalsContact C-N 3.28Å; N312-S314 PolarHBondContact O-N 3.42Å
313T41Very low50.8Low24 Ų2487.3 Ų87.315%0.14748%0.483CS..  trans-59.176.6161.935.30000113.1I307 N310 P311 V315I307-T313 HydrophobicContact CG2-CG2 4.11Å; I307-T313 PolarHBondContact O-OG1 3.21Å; I307-T313 VanDerWaalsContact O-OG1 3.14Å; N310-T313 PolarHBondContact O-N 2.85Å; N310-T313 PolarHBondContact O-OG1 3.2Å; P311-T313 WeakPolarHBondContact CA-OG1 3.16Å; P311-T313 PolarHBondContact O-N 3.07Å; T313-V315 VanDerWaalsContact C-N 3.3Å; T313-V315 PolarHBondContact O-N 2.91Å
314S28.6Very low48.2Very low63 Ų6396.5 Ų96.544%0.44153%0.525SS..  trans-69.888.2160.843.60000109.8N312 L316N312-S314 VanDerWaalsContact C-N 3.28Å; N312-S314 PolarHBondContact O-N 3.42Å; S314-L316 PolarHBondContact O-N 3.07Å; S314-L316 VanDerWaalsContact O-N 3.08Å
315V34.6Very low45.9Very low98 Ų9899.3 Ų99.359%0.59454%0.544SS*.  trans-61.5108.9173.81750000110.3T313 S317T313-V315 VanDerWaalsContact C-N 3.3Å; T313-V315 PolarHBondContact O-N 2.91Å; V315-S317 PolarHBondContact O-N 3.39Å
316L30.6Very low43.4Very low60 Ų60101.5 Ų101.531%0.31455%0.554SS.*  trans-6775.5164.2-44.9177.4000109.4I25 M152 S314I25-L316 VanDerWaalsContact C-CD2 3.44Å; I25-L316 WeakPolarHBondContact O-CA 3.3Å; I25-L316 WeakPolarHBondContact O-CB 3.37Å; I25-L316 WeakPolarHBondContact O-CD2 3.35Å; M152-L316 HydrophobicContact CE-CD1 3.69Å; M152-L316 HydrophobicContact SD-CD1 4.16Å; S314-L316 PolarHBondContact O-N 3.07Å; S314-L316 VanDerWaalsContact O-N 3.08Å
317S27.2Very low41.1Very low77 Ų77107 Ų10754%0.53858%0.584SS.*  trans-91.6113.1167.177.10000109.4V315 K319V315-S317 PolarHBondContact O-N 3.39Å; S317-K319 VanDerWaalsContact C-N 3.34Å; S317-K319 PolarHBondContact O-N 2.96Å
318L29.9Very low38.9Very low91 Ų91114.7 Ų114.748%0.47662%0.617SS.*  trans-63.999.6160.1-79.9104.9000107.5N320L318-N320 PolarHBondContact O-N 2.77Å; L318-N320 VanDerWaalsContact O-N 3.16Å
319K27Very low36.7Very low162 Ų162116.9 Ų116.970%0.70463%0.628SS**  trans-68107.8159.4-75-178178176.80107.1S317 N321S317-K319 VanDerWaalsContact C-N 3.34Å; S317-K319 PolarHBondContact O-N 2.96Å; K319-N321 VanDerWaalsContact C-N 3.25Å; K319-N321 PolarHBondContact O-N 2.78Å
320N28.2Very low34.6Very low147 Ų147119.7 Ų119.779%0.78665%0.648SS**  trans-74.879.4179.5-14632.1000109L318L318-N320 PolarHBondContact O-N 2.77Å; L318-N320 VanDerWaalsContact O-N 3.16Å
321N25.7Very low33.1Very low138 Ų138122.5 Ų122.574%0.73867%0.672SS**  trans-96.783.7171.9-73.1-1.4000108.1K319K319-N321 VanDerWaalsContact C-N 3.25Å; K319-N321 PolarHBondContact O-N 2.78Å
322N30.1Very low32.3Very low136 Ų136123 Ų12373%0.72768%0.678SS**  trans-156.588.5166.3-86.3-28000109
323T30.5Very low31.5Very low147 Ų147123.6 Ų123.690%0.90269%0.688SS**  trans-170.584144.317.70000109.9
324E28.8Very low31.2Very low194 Ų194128.6 Ų128.691%0.90772%0.718SS**  trans-117.3102.9147.9-76.6-171.3171.500106.4
325E33.9Very low31.5Very low184 Ų184130.8 Ų130.886%0.8673%0.734SS**  trans-169.5111.6144.9-107.7178.3-170.100111
326Q30.4Very low31.6Very low172 Ų172131.7 Ų131.780%0.80474%0.742SS**  trans23.7117.7147.5-56.5-178.27.700119.6
327D33.9Very low31.4Very low129 Ų129137 Ų13769%0.6977%0.769SS**  172136.789.9-117-24.7000114.7
328K33.4Very low31.5Very low179 Ų179137.9 Ų137.978%0.77878%0.775SS**  trans41.5121.1149.8-78.6166.3179.8161.50124.7
329S33.8Very low31.3Very low117 Ų117138.4 Ų138.482%0.81879%0.787SS**  trans100.6122.5133.673.90000119.7
330P31.3Very low31.5Very low129 Ų129136.9 Ų136.984%0.83879%0.791SS**  trans-114.3137.2178.238.1-26.1000114.1
331S35.6Very low31.6Very low119 Ų119136.8 Ų136.883%0.83279%0.79SS**  trans-178.1140.115155.90000107.2
332S35.3Very low31.8Very low107 Ų107137.7 Ų137.775%0.74879%0.794SS**  cis-164.2157242.50000106.7
333P31.6Very low31.8Very low123 Ų123138.4 Ų138.480%0.79980%0.797SS**  trans-106.7135.7-17635.5-25.3000113
334T34.4Very low31.7Very low128 Ų128139 Ų13979%0.78580%0.795SS**  trans-146.5107.6165.2-380000113
335S36.4Very low31.6Very low110 Ų110141.2 Ų141.277%0.76980%0.795SS**  trans68.1130139.8-52.50000123.5
336P35Very low31.5Very low117 Ų117139.1 Ų139.176%0.7680%0.795SS**  trans-101.6155.2174.539.6-31.2000113.2
337L27.3Very low32Very low171 Ų171140.6 Ų140.690%0.89579%0.793SS**  trans171.6141.5153.2-114.878.3000104.6
338S28.5Very low32.6Very low95 Ų95136 Ų13666%0.66477%0.767SS**  cis-172.2147.434.846.80000109.7
339S26.9Very low32.9Very low103 Ų103132 Ų13272%0.7276%0.762SS**  trans43.1128.7144.962.20000120.9
340V30.9Very low33.6Very low129 Ų129127.3 Ų127.378%0.78273%0.727SS**  179.7131.3119.5153.50000111.9
341N30.8Very low34Very low145 Ų145123.5 Ų123.578%0.77570%0.703SS**  trans62.8107156.2-76.8-22.9000123.4
342I29.4Very low33.9Very low158 Ų158123.3 Ų123.381%0.8169%0.693SS**  trans-45.7121.8147.8-62.1159.2000110.4
343N30Very low34.1Very low151 Ų151123.8 Ų123.881%0.80769%0.687SS**  trans-153.6124.3152.9-89.8-30.2000109.3R345N343-R345 PolarHBondContact O-N 3.35Å; N343-R345 VanDerWaalsContact O-N 3.12Å
344D27.5Very low34.3Very low159 Ų159122 Ų12285%0.8568%0.677SS**  trans-44.8102.4175-77.1-48.2000114.1
345R28.2Very low34.4Very low240 Ų240120.4 Ų120.491%0.90667%0.667SS**  trans-161.272.4156.9-73.1-158175.8150.1-0.5112.3N343N343-R345 PolarHBondContact O-N 3.35Å; N343-R345 VanDerWaalsContact O-N 3.12Å
346T31.8Very low34.4Very low141 Ų141120.9 Ų120.987%0.86566%0.66SS**  trans-105.564.2159.347.30000109.6
347R40.7Very low34.3Very low202 Ų202121.3 Ų121.376%0.76266%0.655SS**SBendtrans-85.3125.4164.2-89.9-176.2-176.8173.60.3107.9S349R347-S349 PolarHBondContact O-N 3.23Å
348F45.2Very low34.6Very low32 Ų32122.1 Ų122.114%0.1465%0.652CS.*  trans24.765.7168.5-147.3-92.2000115.4L117 E121 F125 R159 L350L117-F348 HydrophobicContact CD1-CD2 4.39Å; L117-F348 HydrophobicContact CD1-CE2 3.86Å; E121-F348 HydrophobicContact CG-CD2 4.45Å; E121-F348 WeakPolarHBondContact OE1-CB 3.41Å; E121-F348 WeakPolarHBondContact OE1-CD2 3.42Å; F125-F348 HydrophobicContact CE2-CE2 4.16Å; F125-F348 HydrophobicContact CE2-CZ 4.06Å; F125-F348 HydrophobicContact CZ-CE1 4.26Å; F125-F348 HydrophobicContact CZ-CE2 4.17Å; F125-F348 AromaticContact CZ-CZ 3.67Å; F125-F348 HydrophobicContact CZ-CZ 3.67Å; R159-F348 VanDerWaalsContact CD-CD1 3.42Å; R159-F348 HydrophobicContact CG-CD1 4.18Å; R159-F348 HydrophobicContact CG-CE1 4.18Å; F348-L350 HydrophobicContact CD1-CD1 4.29Å; F348-L350 HydrophobicContact CD1-CG 4.12Å; F348-L350 HydrophobicContact CE1-CD1 3.79Å; F348-L350 HydrophobicContact CE1-CD2 4.06Å; F348-L350 HydrophobicContact CE1-CG 3.65Å; F348-L350 HydrophobicContact CZ-CD2 4.49Å
349S41.3Very low34.8Very low96 Ų96125 Ų12567%0.67166%0.658SS**  trans-88.4103.4162.350.40000106.7R347R347-S349 PolarHBondContact O-N 3.23Å
350L48.4Very low35Very low18 Ų18127.9 Ų127.99%0.09466%0.66CS.*  trans-53.6136.9165.7-79.9149.8000107.8R110 L156 R159 F348 D352R110-L350 HydrophobicContact CB-CD2 4.44Å; R110-L350 HydrophobicContact CG-CD2 3.25Å; L156-L350 HydrophobicContact CB-CD1 4.16Å; L156-L350 HydrophobicContact CD2-CD1 4.15Å; L156-L350 HydrophobicContact CD2-CD2 4.1Å; L156-L350 WeakPolarHBondContact O-CD1 3.25Å; R159-L350 HydrophobicContact CG-CD1 4.26Å; F348-L350 HydrophobicContact CD1-CD1 4.29Å; F348-L350 HydrophobicContact CD1-CG 4.12Å; F348-L350 HydrophobicContact CE1-CD1 3.79Å; F348-L350 HydrophobicContact CE1-CD2 4.06Å; F348-L350 HydrophobicContact CE1-CG 3.65Å; F348-L350 HydrophobicContact CZ-CD2 4.49Å; L350-D352 PolarHBondContact O-N 2.8Å
351P39.2Very low34.9Very low50 Ų50129.3 Ų129.333%0.32566%0.664SS.*  trans-55.7113.1174-18.625.4000108.8R110R110-P351 PolarHBondContact NH2-O 3.14Å
352D33.7Very low34.9Very low115 Ų115129 Ų12962%0.61567%0.667SS**  trans-60.6138169.6-83-30.4000108.4L350 S354 V355L350-D352 PolarHBondContact O-N 2.8Å; D352-S354 PolarHBondContact O-N 3.35Å; D352-V355 PolarHBondContact O-N 2.96Å
353N38.5Very low35.1Very low116 Ų116128.4 Ų128.462%0.6267%0.671SS**THydrogen-bonded Turntrans-58-1.8177.7-79.1-14.4000113.9
354S35.4Very low34.9Very low85 Ų85128.9 Ų128.959%0.59467%0.672SS**THydrogen-bonded Turntrans-77.4-17.2172.262.50000114D352D352-S354 PolarHBondContact O-N 3.35Å
355V38.5Very low35Very low96 Ų96128.3 Ų128.358%0.58267%0.668SS**SBendtrans-91.3-15.5-177.1-173.40000112.9D352 N357D352-V355 PolarHBondContact O-N 2.96Å; V355-N357 VanDerWaalsContact C-N 3.3Å; V355-N357 PolarHBondContact O-N 3.13Å
356I36.4Very low34.9Very low119 Ų119124 Ų12461%0.6166%0.664SS**G310 helixtrans-78-12.2178.9-64.4179.1000112.7K358I356-K358 VanDerWaalsContact C-N 3.29Å; I356-K358 PolarHBondContact O-N 3.37Å
357N31.3Very low34.9Very low126 Ų126127 Ų12767%0.67466%0.664SS**G310 helixtrans-84.413.5176.8-73.1-16.2000115V355V355-N357 VanDerWaalsContact C-N 3.3Å; V355-N357 PolarHBondContact O-N 3.13Å
358K34.4Very low34.2Very low188 Ų188125.2 Ų125.282%0.81767%0.668SS**G310 helixtrans-113.66.2179.7-85.7-178.9177.41760115.7I356I356-K358 VanDerWaalsContact C-N 3.29Å; I356-K358 PolarHBondContact O-N 3.37Å
359I32.6Very low33.7Very low157 Ų157128.6 Ų128.681%0.80570%0.702SS**SBendtrans-121.255.8174.9-48.3178.4000109.8
360Q31.6Very low33.1Very low162 Ų162129.4 Ų129.476%0.75770%0.703SS**  trans-127.312.4173.5-91-174.4-19.300114
361N28Very low32.1Very low160 Ų160136.8 Ų136.886%0.85674%0.737SS**SBendtrans-121.144.7-176.9-78.7-25.8000113.8
362T31.9Very low31.8Very low138 Ų138139.9 Ų139.985%0.84776%0.76SS**SBendtrans-155.577168.6-32.70000110.5
363V31.9Very low31.6Very low146 Ų146139.6 Ų139.689%0.88577%0.767SS**  trans176.682.2142.9175.70000104.6
364L27.1Very low31.2Very low161 Ų161138.8 Ų138.884%0.84377%0.77SS**  trans-112112.6165.3-161.7156.8000103.5
365L28.4Very low30.9Very low147 Ų147141.4 Ų141.477%0.7778%0.778SS**  trans160.892.4159.8-87.2165.1000107.8
366D27.3Very low30.6Very low150 Ų150144.8 Ų144.880%0.80279%0.787SS**  trans167.8110.7130.3-89.1-10.5000110.3
367K30.8Very low30Very low202 Ų202145 Ų14588%0.87879%0.794SS**  trans143.793.2153.6-81.3163.7-176.7-176.60109.3
368I27.5Very low29.9Very low166 Ų166145.1 Ų145.185%0.85179%0.794SS**  trans-172.7106.5137.7-82.4139.2000105.6
369A32.9Very low29.6Very low103 Ų103143.6 Ų143.685%0.85179%0.79SS**  trans-157.1103.7151.200000107.5
370T30.1Very low29.5Very low112 Ų112142.9 Ų142.969%0.68779%0.788SS**  trans-60148.5176.234.40000113.5
371E27.6Very low29.5Very low174 Ų174143.5 Ų143.581%0.81379%0.788SS**  trans52.5109.5139-62.2173.9179.500118.2
372S31.6Very low29.6Very low115 Ų115143.2 Ų143.280%0.80478%0.781SS**  163.7133.7103.544.40000112.8
373S30.9Very low29.5Very low109 Ų109145.9 Ų145.976%0.76278%0.782SS**  trans66.7102142.9-580000121.1
374S29.8Very low29.3Very low98 Ų98144 Ų14469%0.68577%0.774SS**  69.4124.2122.168.70000121.5
375N28.1Very low29.2Very low141 Ų141145.6 Ų145.675%0.75477%0.774SS**  trans95121.5133-72.5-19.1000120.9
376Q32.1Very low29.3Very low167 Ų167146.6 Ų146.678%0.7877%0.772SS**  trans9995.4138.8-72.6172.118.700120.4
377T25.4Very low29.5Very low122 Ų122146.2 Ų146.275%0.74877%0.765SS**  34.2139.9117.810.60000122.7
378L28.9Very low29.5Very low129 Ų129141.1 Ų141.168%0.67576%0.755SS**  trans107.6110.6139.1-72.2146.4000119.5
379Q27Very low29.5Very low157 Ų157139.5 Ų139.573%0.73475%0.748SS**  60.4124.3128-71.6176.810.600121.5
380N31.4Very low29.5Very low142 Ų142142 Ų14276%0.75974%0.742SS**  170.2112.2111.9-83.2-32.5000109.6
381K30.8Very low29.4Very low175 Ų175142.4 Ų142.476%0.76174%0.74SS**  64.111479.6-96.8-174.1179.1177.20116.7
382Q30.6Very low29.4Very low154 Ų154144.3 Ų144.372%0.7274%0.74SS**  trans66.4131133-76.2172.7-32.500121.8
383F28.5Very low29.4Very low194 Ų194145.3 Ų145.385%0.85174%0.736SS**  160.9144.3124.9-105.7-109.7000108.2
384C27.9Very low29.3Very low106 Ų106147.3 Ų147.372%0.71674%0.738SS**  cis-162.81622.7-144.30000111.2
385K26.1Very low29.4Very low194 Ų194147.3 Ų147.384%0.84374%0.738SS**  trans-88.3163.8177.8-70.8171.9171.4175.50113.1
386K31.1Very low29.4Very low169 Ų169148.3 Ų148.374%0.73574%0.744SS**  trans156.6144.6135.9-90.7170.8167.6-89.80109.9
387E31Very low29.3Very low142 Ų142146.5 Ų146.566%0.66475%0.75SS**  cis-174.7144.10.5-125.4160.1-165.700108.7
388S29.7Very low29.5Very low95 Ų95143.9 Ų143.966%0.66475%0.746SS**  trans51149.5138.864.30000122.4
389N28.7Very low29.7Very low132 Ų132144.8 Ų144.871%0.70675%0.752SS**  cis-177.9154.211-115.5-18.9000110.3
390Q31.7Very low30.2Very low155 Ų155146.5 Ų146.572%0.72476%0.757SS**  trans67.4143.7146.6-65.1175.711.800119.2
391N29.5Very low30.4Very low120 Ų120146.5 Ų146.564%0.64276%0.756SS**  cis-162.2132.116.8-108.1-25.6000108
392R26.6Very low30.9Very low214 Ų214143.6 Ų143.681%0.80875%0.747SS**  62.2108.3100.2-91.9-176.4-179.3174.90.7117.5
393N30.8Very low31.4Very low136 Ų136144.8 Ų144.873%0.72775%0.75SS**  162.8130.7107.6-81.3-20.5000114.8
394N29.8Very low32.2Very low151 Ų151139.8 Ų139.881%0.80773%0.732SS**  trans61.1140.2142.9-71.7-5.6000120.6
395S31Very low32.8Very low98 Ų98140.6 Ų140.669%0.68573%0.725SS**  cis-176.8140.93.434.70000110.1
396N28.8Very low33.6Very low163 Ų163138.9 Ų138.987%0.87272%0.718SS**  trans41.9109.3145.5-70.4-9000122
397S30.8Very low34.2Very low129 Ų129134 Ų13490%0.90270%0.702SS**  -167.864.4127.21760000110.4
398G28.9Very low35Very low66 Ų66130 Ų13068%0.6869%0.685SS**  trans-103.7106164.100000108.7
399N32.3Very low35.7Very low148 Ų148129.5 Ų129.579%0.79168%0.675SS**  trans167.870.8157.8-88-20.1000109.8
400K37.4Very low36.5Very low193 Ų193129.7 Ų129.784%0.83967%0.671SS**SBendtrans-149.4-14164.7-117.4173.6-176.1177.80115.3
401I37.1Very low37.1Very low142 Ų142125.1 Ų125.173%0.72865%0.651SS**SBendtrans-89.6-23.7-174.2-64170.6000113.1K403 N404I401-K403 VanDerWaalsContact C-N 3.3Å; I401-K403 PolarHBondContact O-N 3.43Å; I401-N404 PolarHBondContact O-N 2.87Å
402I40.9Very low37.7Very low114 Ų114124.1 Ų124.159%0.58565%0.645SS**Hα-helixtrans-74.5-14.4-172.6-60.5169.1000113.7
403K41.7Very low38.2Very low180 Ų180119.3 Ų119.378%0.78363%0.632SS**Hα-helixtrans-84.7-21.9179-72.8-173.6177.7-1780113.9I401I401-K403 VanDerWaalsContact C-N 3.3Å; I401-K403 PolarHBondContact O-N 3.43Å
404N43.7Very low38.5Very low88 Ų88115.2 Ų115.247%0.47162%0.617SS.*Hα-helixtrans-82.4-33.7179.1-77.13.5000112.4I401 K406 V407 I408I401-N404 PolarHBondContact O-N 2.87Å; N404-K406 VanDerWaalsContact C-N 3.31Å; N404-K406 PolarHBondContact O-N 3.24Å; N404-V407 PolarHBondContact O-N 2.98Å; N404-I408 HydrophobicContact CB-CD1 4.15Å; N404-I408 WeakPolarHBondContact O-CB 3.42Å; N404-I408 WeakPolarHBondContact O-CD1 3.42Å; N404-I408 WeakPolarHBondContact O-CG1 3.4Å; N404-I408 PolarHBondContact O-N 3.27Å; N404-I408 VanDerWaalsContact O-N 3.13Å
405E42Very low38.9Very low123 Ų123113.9 Ų113.958%0.57560%0.604SS**Hα-helixtrans-57.7-37.3178.9-105.3-179.6147.500114N409E405-N409 PolarHBondContact O-N 3.05Å; E405-N409 PolarHBondContact O-ND2 2.87Å
406K42.6Very low39.2Very low159 Ų159113.9 Ų113.969%0.69160%0.604SS**Hα-helixtrans-74.9-36.9-178-72.9-172.8177.2-175.80113.1N404N404-K406 VanDerWaalsContact C-N 3.31Å; N404-K406 PolarHBondContact O-N 3.24Å
407V42.6Very low39.3Very low67 Ų67112.7 Ų112.741%0.40660%0.597SS.*Hα-helixtrans-73-36.6179.7-179.50000110.5N404 H410 I411 V706N404-V407 PolarHBondContact O-N 2.98Å; V407-H410 WeakPolarHBondContact O-CB 3.45Å; V407-H410 PolarHBondContact O-N 3.45Å; V407-I411 PolarHBondContact O-N 3.42Å; V407-V706 HydrophobicContact CG1-CG1 4.5Å
408I47.8Very low39.3Very low57 Ų57111.5 Ų111.529%0.29259%0.589SS.*Hα-helixtrans-73.4-35.3-178.4-65.1167.5000111.7L227 N404 H410 I411 L412L227-I408 HydrophobicContact CD2-CD1 4.1Å; N404-I408 HydrophobicContact CB-CD1 4.15Å; N404-I408 WeakPolarHBondContact O-CB 3.42Å; N404-I408 WeakPolarHBondContact O-CD1 3.42Å; N404-I408 WeakPolarHBondContact O-CG1 3.4Å; N404-I408 PolarHBondContact O-N 3.27Å; N404-I408 VanDerWaalsContact O-N 3.13Å; I408-H410 PolarHBondContact O-N 2.97Å; I408-I411 PolarHBondContact O-N 3.48Å; I408-I411 VanDerWaalsContact O-N 3.09Å; I408-L412 PolarHBondContact O-N 2.97Å; I408-L412 VanDerWaalsContact O-N 3.09Å
409N44.4Very low39.4Very low85 Ų85111.4 Ų111.446%0.45558%0.581SS.*Hα-helixtrans-61.8-27.4170.4-83.7-50.3000112.8E405 Q413E405-N409 PolarHBondContact O-N 3.05Å; E405-N409 PolarHBondContact O-ND2 2.87Å; N409-Q413 VanDerWaalsContact O-CB 3.3Å; N409-Q413 WeakPolarHBondContact O-CB 3.11Å; N409-Q413 VanDerWaalsContact O-CG 3.28Å; N409-Q413 WeakPolarHBondContact O-CG 3.34Å; N409-Q413 PolarHBondContact O-N 3.49Å
410H45.7Very low39.2Very low136 Ų136113.2 Ų113.263%0.6358%0.582SS**Hα-helixtrans-72.8-30.8174.7-130.2-120.7000112.4V407 I408 A414V407-H410 WeakPolarHBondContact O-CB 3.45Å; V407-H410 PolarHBondContact O-N 3.45Å; I408-H410 PolarHBondContact O-N 2.97Å; H410-A414 PolarHBondContact O-N 2.82Å
411I44.5Very low38.9Very low59 Ų59112 Ų11230%0.30358%0.577SS.*Hα-helixtrans-74.3-37.3175.7-61.8172.3000110.6V407 I408 A414V407-I411 PolarHBondContact O-N 3.42Å; I408-I411 PolarHBondContact O-N 3.48Å; I408-I411 VanDerWaalsContact O-N 3.09Å; I411-A414 PolarHBondContact O-N 3.45Å
412L42.9Very low38.6Very low98 Ų98112 Ų11251%0.51358%0.584SS.*Hα-helixtrans-70.9-35.6172.6-73.3165.4000112.2I408 A414 K415I408-L412 PolarHBondContact O-N 2.97Å; I408-L412 VanDerWaalsContact O-N 3.09Å; L412-A414 VanDerWaalsContact C-N 3.32Å; L412-A414 PolarHBondContact O-N 3.16Å; L412-K415 PolarHBondContact O-N 3.43Å
413Q37.6Very low37.9Very low113 Ų113113.1 Ų113.153%0.52859%0.591SS.*Hα-helixtrans-69.8-25.8173.4-79.9176.1300113.1N409 K415 S416N409-Q413 VanDerWaalsContact O-CB 3.3Å; N409-Q413 WeakPolarHBondContact O-CB 3.11Å; N409-Q413 VanDerWaalsContact O-CG 3.28Å; N409-Q413 WeakPolarHBondContact O-CG 3.34Å; N409-Q413 PolarHBondContact O-N 3.49Å; Q413-K415 PolarHBondContact O-N 2.86Å; Q413-S416 WeakPolarHBondContact O-CB 3.49Å; Q413-S416 PolarHBondContact O-N 3.33Å
414A37.1Very low37.3Very low51 Ų51111.1 Ų111.142%0.42159%0.594SS.*Hα-helixtrans-64.5-26.9176.300000113H410 I411 L412 S416 L417 S418H410-A414 PolarHBondContact O-N 2.82Å; I411-A414 PolarHBondContact O-N 3.45Å; L412-A414 VanDerWaalsContact C-N 3.32Å; L412-A414 PolarHBondContact O-N 3.16Å; A414-S416 PolarHBondContact O-N 2.9Å; A414-L417 PolarHBondContact O-N 3.4Å; A414-L417 VanDerWaalsContact O-N 3.1Å; A414-S418 PolarHBondContact O-N 3.21Å
415K37.9Very low36.8Very low123 Ų123112.3 Ų112.354%0.53561%0.609SS.*THydrogen-bonded Turntrans-67.7-13.2170.7-80.1-171.5172.5-170.40113.7M181 L412 Q413M181-K415 VanDerWaalsContact SD-CE 3.58Å; L412-K415 PolarHBondContact O-N 3.43Å; Q413-K415 PolarHBondContact O-N 2.86Å
416S35.7Very low36.1Very low98 Ų98110.9 Ų110.969%0.68562%0.618SS**THydrogen-bonded Turntrans-96.5-4.7173.7-143.40000112.9Q413 A414Q413-S416 WeakPolarHBondContact O-CB 3.49Å; Q413-S416 PolarHBondContact O-N 3.33Å; A414-S416 PolarHBondContact O-N 2.9Å
417L31.9Very low35.3Very low137 Ų137109.8 Ų109.872%0.71763%0.629SS**THydrogen-bonded Turntrans-126.41.1-171.9-85.4154.3000115.2A414 A419A414-L417 PolarHBondContact O-N 3.4Å; A414-L417 VanDerWaalsContact O-N 3.1Å; L417-A419 VanDerWaalsContact C-N 3.33Å; L417-A419 PolarHBondContact O-N 3.48Å
418S31Very low34.7Very low105 Ų105111.4 Ų111.473%0.73464%0.644SS**  trans-90.164173.3660000112.3A414A414-S418 PolarHBondContact O-N 3.21Å
419A31Very low33.8Very low63 Ų63114.4 Ų114.452%0.52167%0.665SS.*  trans-125.266.5167.200000108.9L417L417-A419 VanDerWaalsContact C-N 3.33Å; L417-A419 PolarHBondContact O-N 3.48Å
420F28.7Very low33.2Very low186 Ų186118.1 Ų118.182%0.81669%0.685SS**  trans-143.697.7175.9-101.5-84.5000113.1
421K31Very low32.5Very low168 Ų168117 Ų11773%0.7369%0.693SS**  trans38.6115.2140.4-65.5-179.9177.7-179.80119.1
422T30.3Very low31.9Very low141 Ų141117.9 Ų117.987%0.86572%0.715SS**  trans-108.8110.5136.648.50000109.3
423N26Very low31.2Very low138 Ų138118.9 Ų118.974%0.73873%0.731SS**  trans-70.2119.7167.5-81.5-19.7000109.2
424T30.1Very low31.1Very low138 Ų138118.5 Ų118.585%0.84774%0.738SS**  trans-129.593.5150.349.10000108
425S31.4Very low30.7Very low113 Ų113121.8 Ų121.879%0.7975%0.753SS**  trans-65.5136.6172.441.60000111.2
426A27.8Very low30.3Very low93 Ų93121.5 Ų121.577%0.76976%0.761SS**  trans-47.2143.7166.500000113
427C26.5Very low30Very low136 Ų136121 Ų12192%0.91976%0.758SS**  trans-134.289.1158-139.30000107.9
428S29.5Very low30Very low101 Ų101122.9 Ų122.971%0.70676%0.762SS**  trans-89.6118.4162.539.50000109
429T29Very low29.9Very low121 Ų121122.6 Ų122.674%0.74276%0.756SS**  trans29.3120.3141.560.90000118.9
430N31.1Very low29.9Very low162 Ų162125.9 Ų125.987%0.86677%0.765SS**  -156.2143.7117.4-111.3-17.4000114
431S32.5Very low30.1Very low114 Ų114123.2 Ų123.280%0.79776%0.759SS**  trans-62.5153.6-174.451.40000116.4
432G31.3Very low30.3Very low76 Ų76118.4 Ų118.478%0.78475%0.747SS**  trans174.482.5163.800000113.4
433S28.5Very low30.5Very low119 Ų119119.4 Ų119.483%0.83274%0.741SS**  trans-55.8166.9160.4-143.10000110.3
434P35.4Very low30.8Very low105 Ų105119.6 Ų119.668%0.68274%0.742SS**  cis-151.8-174.422.842.2-18.9000117.3
435V29.2Very low31.1Very low121 Ų121116.4 Ų116.473%0.73373%0.73SS**  trans82.6107.5137.4160.10000119.9
436V27.8Very low31.2Very low117 Ų117119 Ų11971%0.70973%0.73SS**  84.5141.6122.1174.50000120.9
437S30.7Very low31.6Very low88 Ų88120.3 Ų120.362%0.61572%0.724SS**  trans85106.7155.561.50000116.2
438H30.7Very low32Very low176 Ų176120.8 Ų120.882%0.81572%0.716SS**  75.9138.589.5-70-55.5000109.8
439V29.3Very low32.1Very low99 Ų99122 Ų12260%0.672%0.715SS**  cis174.7167.715.1131.10000104.4
440N32Very low32.2Very low131 Ų131124.6 Ų124.670%0.70172%0.716SS**  trans80.3139.6166.3-68.1-20.9000115.8
441N32.2Very low32.2Very low131 Ų131124 Ų12470%0.70171%0.708SS**  cis178.8155.3-2.9-111.8-23000102.1
442S35.3Very low32.1Very low67 Ų67128.5 Ų128.547%0.46971%0.708SS.*  cis-172.415211.8-130.70000106.7
443Q34.7Very low32Very low161 Ų161131 Ų13175%0.75270%0.703SS**  trans64.6137.9136-67.3162.5-1000117.6
444N32.8Very low32.1Very low142 Ų142131.8 Ų131.876%0.75970%0.698SS**  cis-170.9162.410.4-92.6-18.9000102.8
445A35.6Very low31.9Very low72 Ų72133.6 Ų133.660%0.59570%0.702SS**  cis-159.8140.916.600000105.2
446E34.1Very low32.1Very low166 Ų166133.5 Ų133.578%0.77670%0.701SS**  68.5121.5103.2-65.1-178175.300113.2
447N35.1Very low32.1Very low122 Ų122132.8 Ų132.865%0.65270%0.701SS**  -17214153.3-106.2-35.7000113.2
448L36.2Very low32.2Very low145 Ų145136.1 Ų136.176%0.75971%0.711SS**  trans67.595.7135.8-63.7158000119.3
449N30.9Very low32.2Very low126 Ų126131.2 Ų131.267%0.67470%0.697SS**  66.5113.878.8-93.2-22.9000117.9
450K29.9Very low32.1Very low176 Ų176132.9 Ų132.977%0.76570%0.703SS**  61.6121.3128.9-67.4173.7-178-178.10119
451Q32.9Very low32Very low150 Ų150135.9 Ų135.970%0.70171%0.705SS**  179.6140.5104.1-101.1179.4800113.5
452R29.6Very low31.7Very low208 Ų208135.2 Ų135.279%0.78571%0.711SS**  trans72.2147.2148.2-69.2169.6-179.8169.30.8117.8
453N30Very low31.5Very low129 Ų129138.9 Ų138.969%0.6972%0.724SS**  cis175.5146-21.3-107.84.2000103.6
454N30.3Very low31.4Very low136 Ų136136.1 Ų136.173%0.72772%0.72SS**  trans70132.1160-52.3-6.8000114.3
455D31.8Very low31.4Very low142 Ų142136.3 Ų136.376%0.75972%0.72SS**  cis-173.8151.242.3-107.9-27.5000112.2
456V32.5Very low31.1Very low119 Ų119139.3 Ų139.372%0.72173%0.726SS**  trans75.4100.1147.5-1750000118.9
457S28.5Very low30.9Very low102 Ų102138 Ų13871%0.71372%0.724SS**  65.7124.888.6-41.30000114.2
458L31.7Very low30.8Very low158 Ų158139.1 Ų139.183%0.82774%0.735SS**  -167.9130.862.7-144.191.9000111.9
459S30.9Very low30.5Very low73 Ų73141.1 Ų141.151%0.5174%0.737SS.*  trans39.3119.5138.764.40000121.9
460D26.9Very low30.5Very low134 Ų134143.9 Ų143.972%0.71774%0.743SS**  74.912988.6-55.5-40.5000112.7
461Y30.6Very low30.5Very low194 Ų194143.1 Ų143.176%0.76175%0.747SS**  -166.7141.763.9-94.9-91.3000112I463Y461-I463 HydrophobicContact CD1-CD1 3.85Å; Y461-I463 HydrophobicContact CD1-CG1 3.93Å; Y461-I463 HydrophobicContact CE1-CD1 4.2Å
462S25.9Very low30.4Very low118 Ų118142.9 Ų142.983%0.82575%0.751SS**  trans-95132149.1-64.90000108.4
463I31.3Very low30.7Very low143 Ų143138 Ų13873%0.73375%0.745SS**  trans-149.4136157-54.5-176.3000110.3Y461Y461-I463 HydrophobicContact CD1-CD1 3.85Å; Y461-I463 HydrophobicContact CD1-CG1 3.93Å; Y461-I463 HydrophobicContact CE1-CD1 4.2Å
464P33Very low30.7Very low104 Ų104142.6 Ų142.668%0.67575%0.753SS**  trans-108.7165.2-17841.3-33.2000115.8
465I31.9Very low30.7Very low146 Ų146143.1 Ų143.175%0.74976%0.756SS**  trans77.5125.7143.5-71.6166.5000122.2
466D30.3Very low30.5Very low134 Ų134140.7 Ų140.772%0.71775%0.75SS**  trans90.3134.9142.8-73.3-12.1000127.2
467N28.8Very low30.3Very low140 Ų140142.9 Ų142.975%0.74976%0.757SS**  trans79.8117.5151.2-66.8-32.3000119.8
468V33.4Very low30.1Very low144 Ų144143 Ų14387%0.87376%0.756SS**  -173123.6106.7155.80000110.7
469K29.7Very low30.1Very low187 Ų187142.2 Ų142.281%0.81375%0.753SS**  trans-61.8145.5164.8-63.1165.2174.1171.40111.1
470K31Very low29.8Very low184 Ų184144.1 Ų144.180%0.876%0.762SS**  154.6130.5118.1-90.6177.7177.91780114.6
471L30.1Very low29.9Very low161 Ų161143.5 Ų143.584%0.84376%0.763SS**  trans88.2103.2140.1-65.4158.6000120.8
472N31.5Very low29.9Very low145 Ų145138.8 Ų138.878%0.77576%0.758SS**  trans-58.2179.8140.3-139.37.1000110.4
473P35.1Very low30Very low104 Ų104142 Ų14268%0.67576%0.757SS**  cis-150.4-178.512.839.5-14.8000118.7
474R28.8Very low29.8Very low226 Ų226140.9 Ų140.985%0.85376%0.757SS**  trans10.9138.3147.2-68.2177.3170156-3.1121.5
475N31Very low29.7Very low148 Ų148140.6 Ų140.679%0.79176%0.758SS**  168.4118127-90.4-3.5000110
476S26.8Very low29.5Very low91 Ų91138.7 Ų138.764%0.63676%0.758SS**  71.8132.979.980.60000115.4
477L28.8Very low29.6Very low164 Ų164137.7 Ų137.786%0.85976%0.761SS**  trans111.8129.5150-106.472.9000120
478C25.1Very low29.7Very low104 Ų104136.1 Ų136.170%0.70376%0.761SS**  trans-54156.1171.5-60.30000114.7
479D30.7Very low29.7Very low142 Ų142137.4 Ų137.476%0.75976%0.761SS**  167.7119.7112.1-85.7-33.3000110.1
480T26.3Very low29.8Very low114 Ų114135.2 Ų135.270%0.69976%0.758SS**  90.7119.676.8-52.90000112.6
481V27.5Very low29.9Very low120 Ų120134.7 Ų134.773%0.72776%0.764SS**  trans76.2128157.6-138.70000122.7
482S30.6Very low30Very low95 Ų95136.3 Ų136.366%0.66476%0.764SS**  126.4108.6127.4-53.50000113
483K29.1Very low30.2Very low187 Ų187135.3 Ų135.381%0.81376%0.763SS**  55.412588.8-76.4-175.3-179.3176.10111
484T27.6Very low30.1Very low118 Ų118137 Ų13772%0.72477%0.766SS**  cis178.9158.33718.70000109.9
485S29Very low30.3Very low98 Ų98132.6 Ų132.669%0.68576%0.76SS**  trans75.4130136.555.50000123.8
486S29.4Very low30.5Very low107 Ų107131.4 Ų131.475%0.74875%0.754SS**  trans70.1143.1137.155.60000118.5
487S32.4Very low30.9Very low112 Ų112133.3 Ų133.378%0.78376%0.757SS**  cis-172.7156.510.633.10000109.6
488S29.2Very low31.3Very low108 Ų108131.4 Ų131.476%0.75575%0.748SS**  trans-44.3159.9168.6-42.80000116.4
489I35Very low31.8Very low171 Ų171132.6 Ų132.688%0.87775%0.747SS**  trans-161.6134.3134.1-92.5143.4000110.7
490N30.5Very low32Very low141 Ų141131.8 Ų131.875%0.75474%0.742SS**  trans-66.1163.1177.8-73.1-43.6000114.3
491N34Very low32.5Very low172 Ų172132.3 Ų132.392%0.9274%0.741SS**  -159.7144.4118.2-97.2-22.6000114
492K31.5Very low33Very low195 Ų195132.7 Ų132.785%0.84874%0.739SS**  trans-111.6-172.6-166.8-162.2177.2-175.9178.60109.2
493V35.7Very low33.2Very low124 Ų124135 Ų13575%0.75274%0.744SS**  trans104.1131.2164-175.20000112.7
494N33.8Very low33.4Very low139 Ų139131 Ų13174%0.74374%0.739SS**  cis-158.6140.37.2-108.4-15.1000106.9
495N33.5Very low33.5Very low135 Ų135130.3 Ų130.372%0.72274%0.739SS**  80.3109.167.5-139.527.7000116.6
496N34.5Very low33.7Very low123 Ų123131.4 Ų131.466%0.65874%0.742SS**  154.5127.7121.7-87.9-9.7000116.2
497N35.5Very low33.6Very low131 Ų131133.2 Ų133.270%0.70174%0.743SS**  trans56141.7135.9-63.8-6.3000121
498N35.8Very low33.5Very low124 Ų124132.3 Ų132.366%0.66373%0.733SS**  cis-171.5146.724.4-115.7-13.2000110.2
499N35.8Very low33.3Very low129 Ų129134.2 Ų134.269%0.6974%0.735SS**  trans46.7139.4137.3-67.9-5000121.3
500N36.5Very low33.1Very low124 Ų124131.2 Ų131.266%0.66373%0.729SS**  cis-171.4140.733.3-112.6-11.6000112.1
501N36.2Very low33Very low126 Ų126133.7 Ų133.767%0.67473%0.733SS**  trans52.9117.2130.4-70.6-1.9000123.6
502N37.3Very low32.7Very low127 Ų127131.1 Ų131.168%0.67972%0.723SS**  166.8129.285.6-95.2-24.9000114.1
503N34.4Very low32.5Very low145 Ų145128.4 Ų128.478%0.77572%0.718SS**  trans54.4136.4136.2-60.3-13.1000120.4
504S34.7Very low32.3Very low101 Ų101129.5 Ų129.571%0.70672%0.719SS**  cis-170.7134.420.144.50000111.6
505S29.8Very low31.9Very low104 Ų104129.6 Ų129.673%0.72772%0.72SS**  trans37.4136.9131.173.30000120.5
506T32.7Very low31.6Very low122 Ų122130.4 Ų130.475%0.74872%0.723SS**  cis-164.6134.331.541.20000108.5
507N27.1Very low31.4Very low144 Ų144129.6 Ų129.677%0.7772%0.723SS**  48.6138.692.6-88.712.4000115.8
508T29.4Very low31.1Very low94 Ų94130.6 Ų130.658%0.57773%0.728SS**  cis174.6149.3-419.30000105.7
509D26.8Very low30.7Very low148 Ų148130.9 Ų130.979%0.79173%0.73SS**  trans64.1152.4146.5-57.1-24.8000119.1
510S30.1Very low30.3Very low108 Ų108132.8 Ų132.876%0.75573%0.732SS**  cis-173.8146.610.8290000110.5
511K29.1Very low29.9Very low193 Ų193133.3 Ų133.384%0.83973%0.733SS**  trans22.1129133.1-79.8-175.9175.2174.30122.8
512V27.3Very low29.5Very low117 Ų117132.2 Ų132.271%0.70974%0.735SS**  95.1133.9113.6171.80000121.9
513L26.1Very low29.2Very low139 Ų139130.6 Ų130.673%0.72873%0.734SS**  trans81.5122.4151.3-118.770.7000120.8
514N31.2Very low28.9Very low147 Ų147130.9 Ų130.979%0.78674%0.736SS**  -177.6124.698-92.9-20.5000113.1
515D25.8Very low28.7Very low141 Ų141131.2 Ų131.275%0.75474%0.738SS**  trans-65.9156.7154.8-73.3-48.1000111.1
516L28.4Very low28.7Very low151 Ų151132.3 Ų132.379%0.79174%0.74SS**  145.2112.1126.7-78.7160.9000113
517T28.5Very low28.6Very low106 Ų106131.1 Ų131.165%0.6574%0.737SS**  trans54.8123.513262.40000120
518N31.2Very low28.8Very low153 Ų153130.7 Ų130.782%0.81874%0.735SS**  -172.2107.4112.1-88.3-30.4000111.8
519D26.3Very low29Very low130 Ų130135.2 Ų135.270%0.69575%0.747SS**  19.5132.7129.8-96.48.2000120.7
520K28.2Very low29.2Very low169 Ų169132.6 Ų132.674%0.73574%0.74SS**  100.8122.1124.4-86.1175.4177.4163.10120.9
521I27.9Very low29.1Very low134 Ų134134.2 Ų134.269%0.68774%0.739SS**  104.3113.3125.4-73.3165.3000118.2
522S27Very low29.2Very low103 Ų103131.7 Ų131.772%0.7273%0.734SS**  trans65.4147.6142.372.10000118.5
523S32Very low29.3Very low93 Ų93132.6 Ų132.665%0.6574%0.735SS**  cis-174.1150.18.329.30000107.7
524D26.9Very low29.4Very low152 Ų152130.5 Ų130.581%0.81373%0.732SS**  trans44.5121.8142.1-59.2-24.1000120.8
525S31.4Very low29.3Very low107 Ų107128.5 Ų128.575%0.74873%0.73SS**  170.6115.694.343.30000113.2
526T29.3Very low29.7Very low127 Ų127127.2 Ų127.278%0.77973%0.727SS**  trans38.4121.3135.654.20000120.8
527S31.3Very low29.7Very low98 Ų98127.3 Ų127.369%0.68573%0.733SS**  158.2143.589.359.20000114.3
528N30.1Very low29.8Very low134 Ų134126.8 Ų126.872%0.71773%0.734SS**  trans98114.2143.6-67.6-30.2000122.4
529K33.4Very low29.8Very low190 Ų190121.5 Ų121.583%0.82672%0.716SS**  trans80.3134.8140.7-68.5171.6177.9177.40117
530S30.9Very low30.4Very low93 Ų93119.3 Ų119.365%0.6571%0.711SS**  cis-178.2127.3-541.80000108.3
531I29.6Very low30.5Very low142 Ų142122.2 Ų122.273%0.72872%0.717SS**  54.8113129.5-52.8166.7000119.4
532N31.1Very low30.8Very low139 Ų139125 Ų12574%0.74372%0.719SS**  179.7105.6122.1-87.9-31.3000108.3
533N28.6Very low31.5Very low137 Ų137123.8 Ų123.873%0.73371%0.707SS**  64.7135.492.9-74.8-12.7000112.6
534S27.7Very low31.8Very low94 Ų94123.9 Ų123.966%0.65770%0.7SS**  cis171.9158.23.947.10000106.3
535S29.8Very low32.2Very low106 Ų106123.3 Ų123.374%0.74169%0.691SS**  trans77.2138.9159.383.10000117.1
536T33.7Very low32.7Very low113 Ų113123.6 Ų123.669%0.69368%0.68SS**  cis-167.3135.3-0.38.40000107.9S538T536-S538 VanDerWaalsContact C-N 3.3Å; T536-S538 PolarHBondContact O-N 2.98Å
537V29.5Very low33.2Very low153 Ų153122.3 Ų122.393%0.92767%0.669SS**  trans-62.488.7161.4175.50000108
538S29.6Very low33.8Very low96 Ų96122.6 Ų122.667%0.67166%0.663SS**  trans-159.551.3171.775.40000112.7T536T536-S538 VanDerWaalsContact C-N 3.3Å; T536-S538 PolarHBondContact O-N 2.98Å
539G32.7Very low34.6Very low42 Ų42119.6 Ų119.643%0.43365%0.646SS.*SBendtrans-127.2-37.3174.800000113.8W541 R542 V543G539-W541 PolarHBondContact O-N 3.1Å; G539-R542 PolarHBondContact O-N 3.13Å; G539-V543 PolarHBondContact O-N 3.42Å
540S38.9Very low35.4Very low84 Ų84116.1 Ų116.159%0.58764%0.635SS**Hα-helixtrans-69.3-33.5-169.1-174.30000114.5N544S540-N544 PolarHBondContact O-N 3.21Å
541W30.3Very low36Very low229 Ų229113.9 Ų113.987%0.86763%0.627SS**Hα-helixtrans-76.8-27.7177.9-67.286.6000113.3G539 F545G539-W541 PolarHBondContact O-N 3.1Å; W541-F545 WeakPolarHBondContact O-CB 3.46Å; W541-F545 PolarHBondContact O-N 2.7Å
542R32.4Very low36.7Very low193 Ų193116.3 Ų116.373%0.72863%0.627SS**Hα-helixtrans-76.5-39.6179.9-103.7-174.7-170.8-124.72.3112.5G539 F545 Q546G539-R542 PolarHBondContact O-N 3.13Å; R542-F545 PolarHBondContact O-N 3.07Å; R542-Q546 WeakPolarHBondContact O-CB 3.27Å; R542-Q546 PolarHBondContact O-N 2.79Å
543V42.3Very low37.6Very low77 Ų77115 Ų11547%0.46762%0.619SS.*Hα-helixtrans-69-41.6177.9-179.40000110.6G539 F545 Q546 N547G539-V543 PolarHBondContact O-N 3.42Å; V543-F545 VanDerWaalsContact C-N 3.33Å; V543-F545 PolarHBondContact O-N 2.93Å; V543-Q546 PolarHBondContact O-N 2.83Å; V543-N547 WeakPolarHBondContact O-CB 3.24Å; V543-N547 VanDerWaalsContact O-CG 3.26Å; V543-N547 PolarHBondContact O-N 3.22Å; V543-N547 PolarHBondContact O-ND2 3.06Å
544N38.7Very low38.4Very low96 Ų96110.5 Ų110.551%0.51361%0.605SS.*Hα-helixtrans-69.5-27173.9-78.1-23.5000113.7S540 N548S540-N544 PolarHBondContact O-N 3.21Å; N544-N548 WeakPolarHBondContact O-CB 2.95Å; N544-N548 PolarHBondContact O-N 3.15Å; N544-N548 PolarHBondContact O-ND2 3.43Å
545F35.6Very low39.3Very low139 Ų139109 Ų10961%0.6160%0.598SS**Hα-helixtrans-78.1-40.1174.7-170.3-103.7000112.2W541 R542 V543 I549W541-F545 WeakPolarHBondContact O-CB 3.46Å; W541-F545 PolarHBondContact O-N 2.7Å; R542-F545 PolarHBondContact O-N 3.07Å; V543-F545 VanDerWaalsContact C-N 3.33Å; V543-F545 PolarHBondContact O-N 2.93Å; F545-I549 HydrophobicContact CD1-CD1 3.67Å; F545-I549 HydrophobicContact CD2-CD1 4.46Å; F545-I549 HydrophobicContact CE1-CD1 3.24Å; F545-I549 HydrophobicContact CE2-CD1 4.11Å; F545-I549 HydrophobicContact CG-CD1 4.27Å; F545-I549 HydrophobicContact CZ-CD1 3.5Å; F545-I549 WeakPolarHBondContact O-CB 3.29Å; F545-I549 WeakPolarHBondContact O-CG1 3.46Å; F545-I549 PolarHBondContact O-N 3Å; F545-I549 VanDerWaalsContact O-N 3.09Å
546Q41.2Very low39.9Very low113 Ų113106.6 Ų106.653%0.52859%0.585SS.*Hα-helixtrans-68-42.3175.4-81.2179.5-43.900112R542 V543 N548 I549 I550R542-Q546 WeakPolarHBondContact O-CB 3.27Å; R542-Q546 PolarHBondContact O-N 2.79Å; V543-Q546 PolarHBondContact O-N 2.83Å; Q546-N548 PolarHBondContact O-N 2.8Å; Q546-I549 PolarHBondContact O-N 2.65Å; Q546-I550 WeakPolarHBondContact O-CB 3.27Å; Q546-I550 WeakPolarHBondContact O-CG1 2.89Å; Q546-I550 PolarHBondContact O-N 3.34Å
547N39.5Very low40.5Very low100 Ų100108.2 Ų108.254%0.53558%0.583SS.*Hα-helixtrans-67.6-36.5178.3-69.3-12.6000112.3V543 G551V543-N547 WeakPolarHBondContact O-CB 3.24Å; V543-N547 VanDerWaalsContact O-CG 3.26Å; V543-N547 PolarHBondContact O-N 3.22Å; V543-N547 PolarHBondContact O-ND2 3.06Å; N547-G551 PolarHBondContact O-N 3.34Å
548N44Very low41.4Very low105 Ų105103.8 Ų103.856%0.56156%0.562SS**Hα-helixtrans-69.4-35174-94.5-61.4000113.2N544 Q546 R552N544-N548 WeakPolarHBondContact O-CB 2.95Å; N544-N548 PolarHBondContact O-N 3.15Å; N544-N548 PolarHBondContact O-ND2 3.43Å; Q546-N548 PolarHBondContact O-N 2.8Å; N548-R552 VanDerWaalsContact O-CB 3.24Å; N548-R552 WeakPolarHBondContact O-CB 3.28Å; N548-R552 VanDerWaalsContact O-CG 3.23Å; N548-R552 WeakPolarHBondContact O-CG 3.42Å; N548-R552 PolarHBondContact O-N 3.21Å
549I47.2Very low42.2Very low70 Ų70101.7 Ų101.736%0.35955%0.551SS.*Hα-helixtrans-74.9-40.6177.7-73.2174.3000111.1F545 Q546 R552 L553F545-I549 HydrophobicContact CD1-CD1 3.67Å; F545-I549 HydrophobicContact CD2-CD1 4.46Å; F545-I549 HydrophobicContact CE1-CD1 3.24Å; F545-I549 HydrophobicContact CE2-CD1 4.11Å; F545-I549 HydrophobicContact CG-CD1 4.27Å; F545-I549 HydrophobicContact CZ-CD1 3.5Å; F545-I549 WeakPolarHBondContact O-CB 3.29Å; F545-I549 WeakPolarHBondContact O-CG1 3.46Å; F545-I549 PolarHBondContact O-N 3Å; F545-I549 VanDerWaalsContact O-N 3.09Å; Q546-I549 PolarHBondContact O-N 2.65Å; I549-R552 PolarHBondContact O-N 3.11Å; I549-L553 HydrophobicContact CG2-CD1 3.59Å; I549-L553 HydrophobicContact CG2-CG 4.23Å; I549-L553 VanDerWaalsContact O-CB 3.26Å; I549-L553 WeakPolarHBondContact O-CB 3.47Å; I549-L553 WeakPolarHBondContact O-CG 3.35Å; I549-L553 PolarHBondContact O-N 3.25Å
550I49.6Very low42.6Very low117 Ų117102.5 Ų102.560%0.655%0.553SS**Hα-helixtrans-66.4-41.3176.4-69.3166000110.4Q546 L553 G554Q546-I550 WeakPolarHBondContact O-CB 3.27Å; Q546-I550 WeakPolarHBondContact O-CG1 2.89Å; Q546-I550 PolarHBondContact O-N 3.34Å; I550-L553 PolarHBondContact O-N 2.91Å; I550-G554 PolarHBondContact O-N 2.86Å
551G43.4Very low43.1Very low46 Ų46102.2 Ų102.247%0.47455%0.548SS..Hα-helixtrans-63.2-40.8172.900000113.1N547 A555N547-G551 PolarHBondContact O-N 3.34Å; G551-A555 WeakPolarHBondContact O-CB 3.25Å; G551-A555 PolarHBondContact O-N 3.06Å
552R45.3Very low43.5Very low193 Ų19393.1 Ų93.173%0.72853%0.525SS*.Hα-helixtrans-72.9-34.4176.7-77.8-179.9158.5-163.8-6.5113.5N548 I549 A556N548-R552 VanDerWaalsContact O-CB 3.24Å; N548-R552 WeakPolarHBondContact O-CB 3.28Å; N548-R552 VanDerWaalsContact O-CG 3.23Å; N548-R552 WeakPolarHBondContact O-CG 3.42Å; N548-R552 PolarHBondContact O-N 3.21Å; I549-R552 PolarHBondContact O-N 3.11Å; R552-A556 WeakPolarHBondContact O-CB 3.44Å; R552-A556 PolarHBondContact O-N 3.4Å
553L50.6Low43.8Very low112 Ų11290.9 Ų90.959%0.58652%0.523SS*.Hα-helixtrans-72.3-37.4173.1-78.4167.5000111I549 I550 A556 F557I549-L553 HydrophobicContact CG2-CD1 3.59Å; I549-L553 HydrophobicContact CG2-CG 4.23Å; I549-L553 VanDerWaalsContact O-CB 3.26Å; I549-L553 WeakPolarHBondContact O-CB 3.47Å; I549-L553 WeakPolarHBondContact O-CG 3.35Å; I549-L553 PolarHBondContact O-N 3.25Å; I550-L553 PolarHBondContact O-N 2.91Å; L553-A556 PolarHBondContact O-N 2.79Å; L553-F557 WeakPolarHBondContact O-CB 3.39Å; L553-F557 PolarHBondContact O-N 3.23Å
554G44.2Very low43.6Very low42 Ų4293.1 Ų93.143%0.43354%0.536SS..Hα-helixtrans-62.3-4617200000112I550 F557 A558I550-G554 PolarHBondContact O-N 2.86Å; G554-F557 PolarHBondContact O-N 3.1Å; G554-A558 VanDerWaalsContact O-CB 3.29Å; G554-A558 WeakPolarHBondContact O-CB 3.2Å; G554-A558 PolarHBondContact O-N 2.68Å
555A46.5Very low43.5Very low62 Ų6294.3 Ų94.351%0.51255%0.547SS..Hα-helixtrans-66.6-40.5174.900000112.8G551 A558 A559G551-A555 WeakPolarHBondContact O-CB 3.25Å; G551-A555 PolarHBondContact O-N 3.06Å; A555-A558 PolarHBondContact O-N 2.89Å; A555-A559 VanDerWaalsContact O-CB 3.26Å; A555-A559 WeakPolarHBondContact O-CB 3.29Å; A555-A559 PolarHBondContact O-N 3.23Å
556A42.3Very low43.4Very low56 Ų5692.8 Ų92.846%0.46355%0.549SS..Hα-helixtrans-68.9-34.9176.200000112.2R552 L553 A560R552-A556 WeakPolarHBondContact O-CB 3.44Å; R552-A556 PolarHBondContact O-N 3.4Å; L553-A556 PolarHBondContact O-N 2.79Å; A556-A560 WeakPolarHBondContact O-CB 3.43Å; A556-A560 PolarHBondContact O-N 2.79Å
557F46.3Very low42.8Very low148 Ų14892.6 Ų92.665%0.64956%0.561SS**Hα-helixtrans-70.3-44.7174.3-161.6-92.2000110.4L553 G554 A559 A560 T561L553-F557 WeakPolarHBondContact O-CB 3.39Å; L553-F557 PolarHBondContact O-N 3.23Å; G554-F557 PolarHBondContact O-N 3.1Å; F557-A559 VanDerWaalsContact C-N 3.33Å; F557-A559 PolarHBondContact O-N 2.97Å; F557-A560 CarbonylContact O-C 3.56Å; F557-A560 PolarHBondContact O-N 2.98Å; F557-A560 VanDerWaalsContact O-N 3.15Å; F557-T561 HydrophobicContact CD1-CG2 3.95Å; F557-T561 HydrophobicContact CE1-CG2 3.68Å; F557-T561 HydrophobicContact CZ-CG2 4.24Å; F557-T561 PolarHBondContact O-N 2.58Å; F557-T561 PolarHBondContact O-OG1 2.67Å
558A48.7Very low42.5Very low60 Ų6094.3 Ų94.350%0.49658%0.575SS.*Hα-helixtrans-59.9-40.2173.100000112.3G554 A555 T561 G562G554-A558 VanDerWaalsContact O-CB 3.29Å; G554-A558 WeakPolarHBondContact O-CB 3.2Å; G554-A558 PolarHBondContact O-N 2.68Å; A555-A558 PolarHBondContact O-N 2.89Å; A558-T561 WeakPolarHBondContact CA-OG1 3.42Å; A558-T561 PolarHBondContact O-OG1 3.1Å; A558-G562 WeakPolarHBondContact O-CA 3.5Å; A558-G562 PolarHBondContact O-N 2.58Å
559A46.8Very low41.9Very low52 Ų5298.4 Ų98.443%0.4359%0.59SS.*Hα-helixtrans-68-39.9173.300000112.1A555 F557 G562 H563A555-A559 VanDerWaalsContact O-CB 3.26Å; A555-A559 WeakPolarHBondContact O-CB 3.29Å; A555-A559 PolarHBondContact O-N 3.23Å; F557-A559 VanDerWaalsContact C-N 3.33Å; F557-A559 PolarHBondContact O-N 2.97Å; A559-G562 PolarHBondContact O-N 2.9Å; A559-H563 WeakPolarHBondContact O-CB 3.3Å; A559-H563 PolarHBondContact O-CD2 3Å; A559-H563 PolarHBondContact O-N 3.04Å
560A40.6Very low41.1Very low58 Ų58104.2 Ų104.248%0.47962%0.615SS.*Hα-helixtrans-71.3-32.717800000112.7A556 F557A556-A560 WeakPolarHBondContact O-CB 3.43Å; A556-A560 PolarHBondContact O-N 2.79Å; F557-A560 CarbonylContact O-C 3.56Å; F557-A560 PolarHBondContact O-N 2.98Å; F557-A560 VanDerWaalsContact O-N 3.15Å
561T48.9Very low40.1Very low79 Ų79107.6 Ų107.649%0.48563%0.628SS.*Hα-helixtrans-81.3-26.5172.151.20000112.4F557 A558 H563F557-T561 HydrophobicContact CD1-CG2 3.95Å; F557-T561 HydrophobicContact CE1-CG2 3.68Å; F557-T561 HydrophobicContact CZ-CG2 4.24Å; F557-T561 PolarHBondContact O-N 2.58Å; F557-T561 PolarHBondContact O-OG1 2.67Å; A558-T561 WeakPolarHBondContact CA-OG1 3.42Å; A558-T561 PolarHBondContact O-OG1 3.1Å; T561-H563 VanDerWaalsContact C-N 3.33Å
562G40.5Very low39.5Very low38 Ų38112.7 Ų112.739%0.39264%0.643SS.*Hα-helixtrans-73.9-20.3171.500000114A558 A559A558-G562 WeakPolarHBondContact O-CA 3.5Å; A558-G562 PolarHBondContact O-N 2.58Å; A559-G562 PolarHBondContact O-N 2.9Å
563H38.7Very low38.7Very low146 Ų146111 Ų11168%0.67665%0.648SS**THydrogen-bonded Turntrans-89.95.3176.4-93.3-68.4000115.1A559 T561A559-H563 WeakPolarHBondContact O-CB 3.3Å; A559-H563 PolarHBondContact O-CD2 3Å; A559-H563 PolarHBondContact O-N 3.04Å; T561-H563 VanDerWaalsContact C-N 3.33Å
564V37.7Very low37.7Very low124 Ų124113.1 Ų113.175%0.75266%0.66SS**THydrogen-bonded Turntrans-101.22.7177.8179.30000112.8
565T36.6Very low37.1Very low121 Ų121120.7 Ų120.774%0.74268%0.683SS**SBendtrans-124.311.4177.349.30000115.2
566T33.6Very low36.5Very low106 Ų106124.4 Ų124.465%0.6570%0.699SS**SBendtrans-127.251.8177.843.50000112.6
567S29Very low35.9Very low110 Ų110129 Ų12977%0.76972%0.716SS**SBendtrans-146.830175.2-152.10000115.6
568T32.4Very low35.2Very low135 Ų135127.2 Ų127.283%0.82872%0.722SS**SBendtrans-13918.9175.2-9.70000115.9
569H31.6Very low34.4Very low191 Ų191130 Ų13088%0.88474%0.739SS**SBendtrans-138.169.3168.6-97.6-86.3000110.2
570H30.1Very low33.9Very low193 Ų193132 Ų13289%0.89475%0.749SS**  trans-153.679158.2-119.1-77.3000107.9
571H29.5Very low33.6Very low187 Ų187135.1 Ų135.187%0.86676%0.758SS**  trans-156.5140.9159-125.1-73.4000107
572I30.3Very low33.1Very low153 Ų153139.2 Ų139.279%0.78577%0.771SS**SBendtrans86.874.2-174.9-43.3164.6000112.3
573L28.6Very low32.8Very low158 Ų158144.5 Ų144.583%0.82779%0.786SS**SBend179.2137.9118.2-87.5168.2000108
574N28.8Very low32.5Very low157 Ų157144.2 Ų144.284%0.8479%0.788SS**  trans84.289.1-179.9-55.1-14.2000116.3
575E31.9Very low32.3Very low200 Ų200142.7 Ų142.794%0.93578%0.783SS**  trans-164.393132.3-108.8177-169.300107.6
576V33.6Very low32.3Very low140 Ų140143.8 Ų143.885%0.84879%0.789SS**  trans-120.299.8156178.10000103.8
577D30.4Very low32.5Very low152 Ų152144.3 Ų144.381%0.81379%0.794SS**  trans-164.3132.8152-101.7-23.7000112.2
578S30.2Very low32.8Very low111 Ų111143.4 Ų143.478%0.77679%0.793SS**  trans81.295.8145.4-49.10000121.1
579S33.4Very low33Very low120 Ų120146.5 Ų146.584%0.83980%0.795SS**  -179.8141.9126.554.60000107.2
580S34.6Very low33.3Very low92 Ų92141.5 Ų141.564%0.64378%0.782SS**  cis-164.7167.2-2.445.90000106.6
581D34.3Very low33.7Very low125 Ų125139.2 Ų139.267%0.66878%0.782SS**  trans99.3115.7149.8-56.2-38000121.8
582H38.8Very low34.1Very low164 Ų164133.4 Ų133.476%0.75977%0.773SS**  trans70.9136.9150.6-63-54.9000118.6
583Q34.7Very low34.5Very low150 Ų150134 Ų13470%0.70178%0.777SS**  cis-174.3148.7-17.2-134.2-175.540.100104.4
584L31.8Very low35.1Very low140 Ų140131.1 Ų131.173%0.73377%0.77SS**  trans8098.9151.5-70.3154.6000122.4
585S33.4Very low35.6Very low91 Ų91128.8 Ų128.864%0.63677%0.766SS**  66.4109.7114.469.70000125.1
586V37.1Very low36Very low144 Ų144123.8 Ų123.887%0.87375%0.754SS**  73.4143.9119.5179.50000121.2
587P38.8Very low36.3Very low118 Ų118123.5 Ų123.577%0.76675%0.752SS**  trans-119.4-177.5-14942.7-28.2000116.4
588A35.1Very low36.6Very low90 Ų90121 Ų12174%0.74475%0.747SS**  trans138153.2140.100000116.4
589K35.5Very low37.1Very low200 Ų200119.6 Ų119.687%0.8774%0.742SS**  trans89.5146166.5-65179.5177.3176.50117.2
590S37.6Very low37.2Very low87 Ų87121 Ų12161%0.60874%0.74SS**  cis178.9159.7-14.457.40000108.3
591T39Very low37.4Very low144 Ų144122.1 Ų122.188%0.88374%0.743SS**  trans65.4139.3151.453.20000120
592G38.6Very low37.5Very low66 Ų66121.6 Ų121.668%0.6875%0.745SS**  cis171.2167.31.700000112.5
593N39Very low37.5Very low165 Ų165119 Ų11988%0.88274%0.741SS**  trans66.6142.1151.9-67.74.8000120
594S40.3Very low37.6Very low97 Ų97117.7 Ų117.768%0.67874%0.743SS**  cis-172.415116.735.70000113.6
595S39.8Very low37.7Very low108 Ų108115.1 Ų115.176%0.75574%0.742SS**  trans62.8142.1137.7630000121.2
596S39.7Very low37.8Very low96 Ų96116.9 Ų116.967%0.67175%0.749SS**  cis175.2136.65.243.50000110.5
597T39.4Very low37.7Very low133 Ų133115.6 Ų115.682%0.81675%0.746SS**  68.4136.7126.5-41.40000118.4
598S38.4Very low37.6Very low100 Ų100115.5 Ų115.570%0.69975%0.745SS**  cis-178.9152.84.745.10000112.6
599A39.5Very low37.5Very low81 Ų81116.4 Ų116.467%0.66975%0.746SS**  trans70.5118131.600000124.4
600N36.7Very low37.5Very low150 Ų150114.7 Ų114.780%0.80275%0.747SS**  49.4144.7121.3-53.6-10.6000119.7
601T38.3Very low37.2Very low115 Ų115119.1 Ų119.171%0.70676%0.755SS**  cis-177.7148.643.1-30.30000110.7
602T36.7Very low37Very low115 Ų115120.3 Ų120.371%0.70676%0.756SS**  trans60.5148.4143.629.20000121.2
603T37.8Very low36.6Very low110 Ų110123 Ų12368%0.67576%0.76SS**  cis-173.7148.924.15.60000111.1
604T36.2Very low36.3Very low122 Ų122122.3 Ų122.375%0.74875%0.754SS**  trans62.1117.1140.5580000122.4
605A34.5Very low35.7Very low86 Ų86122 Ų12271%0.71175%0.752SS**  84.1131.596.400000112.5
606T36.7Very low35.4Very low128 Ų128126.3 Ų126.379%0.78576%0.758SS**  -173.3147.253.7210000111.6
607S34.5Very low34.9Very low116 Ų116128.1 Ų128.181%0.81176%0.76SS**  trans70.7149.5140.3-58.90000125.1
608P36.9Very low34.4Very low116 Ų116127.8 Ų127.875%0.75376%0.758SS**  trans-116.8-176.1-16539.5-22000115
609S31.7Very low34.2Very low109 Ų109129.1 Ų129.176%0.76276%0.762SS**  trans106.9117.1165.376.60000117.1
610N36Very low33.6Very low165 Ų165132.1 Ų132.188%0.88277%0.767SS**  -164.5138125.1-116.2-21000113.2
611K31.9Very low33.3Very low179 Ų179132.1 Ų132.178%0.77877%0.772SS**  trans-67.4155.2172.9-64.3166.4176.3172.90110.2
612N35.3Very low32.8Very low170 Ų170132.9 Ų132.991%0.90978%0.777SS**  trans-163.9119.3131.3-95.8-17.7000112.7
613T28.6Very low32.6Very low123 Ų123134.2 Ų134.276%0.75579%0.785SS**  trans-75.3135166.9-53.30000109.9
614I34.1Very low32Very low149 Ų149136.8 Ų136.876%0.76479%0.794SS**  trans-142.3114.1150-60.9-175.3000109.4F616I614-F616 HydrophobicContact CG2-CD2 3.61Å; I614-F616 HydrophobicContact CG2-CE2 3.65Å
615S26.3Very low31.8Very low90 Ų90137.2 Ų137.263%0.62980%0.797SS**  trans-88.9143.816349.50000110.3
616F34.4Very low31.4Very low200 Ų200139.2 Ų139.288%0.87780%0.801SS**  trans-138.6131.5155.6-91.1-79.5000111.5I614I614-F616 HydrophobicContact CG2-CD2 3.61Å; I614-F616 HydrophobicContact CG2-CE2 3.65Å
617N29.2Very low31.3Very low133 Ų133140.9 Ų140.971%0.71181%0.805SS**  trans-89.7160.4-178.7-70.8-38.3000112
618T29.1Very low31Very low127 Ų127144.7 Ų144.778%0.77981%0.807SS**  trans58.7139.7140.143.70000118.4
619T32.8Very low30.7Very low127 Ų127144.4 Ų144.478%0.77981%0.808SS**  cis-167.9161.748.824.30000110.1
620D27.2Very low30.6Very low145 Ų145146.3 Ų146.378%0.77581%0.809SS**  trans-50.9152.9-179.2-53.2-64.8000117.8
621T31.2Very low30.1Very low149 Ų149145.4 Ų145.491%0.91480%0.804SS**  trans-165.9128.6130.27.60000111.9
622T27.2Very low30Very low132 Ų132146 Ų14681%0.8181%0.807SS**  trans-71.4144.4175.831.70000112.6
623T32.3Very low29.8Very low143 Ų143142.1 Ų142.188%0.87779%0.789SS**  trans-164.3129.1140.931.50000110.8
624N26.1Very low29.8Very low163 Ų163143.5 Ų143.587%0.87279%0.787SS**  trans-64.1140.3172.9-81.4-32.7000111.7
625T31.8Very low29.5Very low132 Ų132143.3 Ų143.381%0.8179%0.787SS**  trans-158.2119.8145.916.30000110.3
626T26.9Very low29.6Very low128 Ų128146.3 Ų146.379%0.78579%0.794SS**  trans-53.5134.716345.30000111.3
627N33.8Very low29.1Very low163 Ų163143.2 Ų143.287%0.87279%0.792SS**  trans-160.1133.5153.3-95.1-34.5000113.7
628K28.4Very low29.3Very low195 Ų195146.3 Ų146.385%0.84880%0.799SS**  trans-68.1149167.3-66165.9172.9172.60110.9
629S30.7Very low29.1Very low111 Ų111148 Ų14878%0.77680%0.798SS**  trans169.7112.9137.440.50000108.2
630L29.2Very low29Very low149 Ų149148.6 Ų148.678%0.7880%0.801SS**  67.9109.882-88.7156.5000115
631N26.8Very low29.2Very low146 Ų146147.8 Ų147.878%0.78180%0.796SS**  trans63.3119.6141-69.4-18.3000121.5
632F28.4Very low29.1Very low190 Ų190146 Ų14683%0.83378%0.784SS**  trans-147.2105.8137.7-151.6-109.1000107.7
633V30.7Very low29.2Very low90 Ų90146.1 Ų146.155%0.54578%0.78SS.*  94.6138.2101.4158.10000112.2
634Q30.2Very low29.1Very low152 Ų152147.7 Ų147.771%0.7178%0.775SS**  cis-168.7149.7-11.7-103.7174.1-55.700106.2
635L26.7Very low29.3Very low145 Ų145144.6 Ų144.676%0.75976%0.761SS**  trans44.1138.5144.3-74.790.1000119.7
636I28.1Very low29.2Very low153 Ų153145.5 Ų145.579%0.78576%0.762SS**  -157.412756.6-69.5170.6000109.7
637T24.9Very low29.3Very low135 Ų135144 Ų14483%0.82876%0.757SS**  trans-120.4131151.83.30000105.4
638K32.2Very low29.2Very low197 Ų197143.6 Ų143.686%0.85775%0.753SS**  trans168.3146.3140.9-95.1170.4-179.1-174.90114.4
639E26.2Very low29.3Very low162 Ų162143.7 Ų143.776%0.75775%0.754SS**  trans-55.7150.8175.3-58.2160.6120.500115.4
640V29.3Very low29.1Very low141 Ų141144.1 Ų144.186%0.85576%0.757SS**  trans-147.195.8146.8179.60000105.6
641I32.4Very low29Very low128 Ų128143 Ų14366%0.65676%0.761SS**  49.497.483-58.8-177.1000114.5
642V28.2Very low29.1Very low110 Ų110145 Ų14567%0.66776%0.763SS**  58112128.3-177.10000118.7
643N30.4Very low29Very low135 Ų135144.6 Ų144.672%0.72276%0.764SS**  169.3120.7116.4-92.5-44.3000110.9
644K30.5Very low28.9Very low177 Ų177145.8 Ų145.877%0.7777%0.771SS**  85.6121.4103.4-150.6174.3-174.3-179.50109.4
645T30.3Very low28.8Very low97 Ų97146.1 Ų146.160%0.59578%0.778SS**  cis178154.227.28.90000107.4
646N29Very low29Very low152 Ų152146.3 Ų146.381%0.81378%0.778SS**  trans68.3135.7149.3-59.8-13.7000115.7
647S29.2Very low29.1Very low97 Ų97148.3 Ų148.368%0.67878%0.781SS**  cis-175.1166.915.7171.50000105.8
648L31.3Very low29.3Very low153 Ų153149.4 Ų149.480%0.80178%0.777SS**  trans83.783176.8-61.3117.7000114.6
649K29.8Very low29.2Very low198 Ų198145 Ų14586%0.86177%0.771SS**  57.98676.7-66.6-175.2175.21780113.7
650S27.6Very low29.4Very low120 Ų120146.2 Ų146.284%0.83977%0.77SS**  166.973.7110.869.30000110.2
651S26.8Very low29.4Very low124 Ų124143.7 Ų143.787%0.86776%0.758SS**  trans-131.480.6166.843.60000107.4
652K29.2Very low29.4Very low190 Ų190141.8 Ų141.883%0.82676%0.756SS**  trans-128.2123.7169.8-88.3-172.6175.4-175.80108
653E26.5Very low29.7Very low181 Ų181144.8 Ų144.885%0.84676%0.761SS**SBendtrans77.448.1149.1-62.2-178.615100120
654T28.3Very low29.8Very low114 Ų114139.7 Ų139.770%0.69974%0.74SS**  trans-156.168150.349.80000111
655N28.8Very low30Very low160 Ų160134.1 Ų134.186%0.85673%0.727SS**SBendtrans-152.919.1169.6-107.1-25.1000116.9
656I30Very low30.1Very low149 Ų149134.2 Ų134.276%0.76473%0.727SS**SBendtrans-127.97.6169.5-61.2179.1000111.9
657K30.2Very low30.4Very low195 Ų195131.1 Ų131.185%0.84872%0.718SS**SBendtrans-128.911.2-173.7-80.9-174.3176.4177.90117
658Q29.3Very low30.6Very low157 Ų157134.7 Ų134.773%0.73472%0.716SS**SBendtrans-114.61.8176.7-93.4174.2-18.600115.8
659S29.6Very low30.6Very low105 Ų105130 Ų13073%0.73470%0.699SS**SBendtrans-111.16.6175.4-35.30000113.8
660Y30.1Very low30.8Very low188 Ų188125 Ų12574%0.73769%0.685SS**SBendtrans-113.89.6176.5-76-76.5000113.6
661S30.5Very low31.1Very low87 Ų87126.3 Ų126.361%0.60868%0.676SS**SBendtrans-94.2-10.1-178.451.30000114.9
662S32.8Very low31.5Very low88 Ų88127 Ų12762%0.61567%0.665SS**SBendtrans-96.8-19.917454.10000114.1
663F34.1Very low31.7Very low174 Ų174124 Ų12476%0.76366%0.657SS**Hα-helixtrans-87.9-17173.4-113.9-96.1000113.7
664G32.8Very low32.2Very low28 Ų28122.7 Ų122.729%0.28965%0.651SS.*Hα-helixtrans-78.3-19.1173.100000114.7R668G664-R668 WeakPolarHBondContact O-CB 3.34Å; G664-R668 PolarHBondContact O-N 3.39Å
665A33.6Very low32.6Very low59 Ų59123.9 Ų123.949%0.48865%0.652SS.*Hα-helixtrans-79.5-34.9178.900000112.2R668 A669A665-R668 PolarHBondContact O-N 3.19Å; A665-A669 PolarHBondContact O-N 3.33Å
666V32Very low32.8Very low99 Ų99121.8 Ų121.860%0.665%0.645SS**Hα-helixtrans-74.5-32.2174.3-175.40000111R668 V670V666-R668 VanDerWaalsContact C-N 3.32Å; V666-R668 PolarHBondContact O-N 3.25Å; V666-V670 WeakPolarHBondContact O-CG2 3.23Å; V666-V670 PolarHBondContact O-N 2.86Å
667S36.1Very low32.8Very low88 Ų88118.8 Ų118.862%0.61564%0.643SS**Hα-helixtrans-77.9-12.6176.8-1460000114.1
668R32.4Very low32.9Very low172 Ų172117.2 Ų117.265%0.64964%0.643SS**Hα-helixtrans-95.4-31.8172.6-142175.9-73.4139.7-4.7112.2G664 A665 V666 K671 E672G664-R668 WeakPolarHBondContact O-CB 3.34Å; G664-R668 PolarHBondContact O-N 3.39Å; A665-R668 PolarHBondContact O-N 3.19Å; V666-R668 VanDerWaalsContact C-N 3.32Å; V666-R668 PolarHBondContact O-N 3.25Å; R668-K671 PolarHBondContact O-N 3.48Å; R668-E672 PolarHBondContact O-N 3.15Å
669A31.3Very low33.1Very low54 Ų54115.3 Ų115.345%0.44665%0.645SS.*Hα-helixtrans-69.1-30.9172.900000113.4A665 L673A665-A669 PolarHBondContact O-N 3.33Å; A669-L673 PolarHBondContact O-N 3.03Å
670V35.5Very low33.1Very low94 Ų94119.2 Ų119.257%0.5765%0.654SS**Hα-helixtrans-75.2-28.2173174.60000111.8V666V666-V670 WeakPolarHBondContact O-CG2 3.23Å; V666-V670 PolarHBondContact O-N 2.86Å
671K33.2Very low33.1Very low146 Ų146116.6 Ų116.664%0.63565%0.653SS**Hα-helixtrans-85.4-24.6178.6-144.6168-172174.80113.7R668R668-K671 PolarHBondContact O-N 3.48Å
672E34.3Very low33.2Very low139 Ų139118.2 Ų118.265%0.6565%0.654SS**Hα-helixtrans-79.5-24.3170.9-76.2-165.4172.700113.1R668 E674 T676R668-E672 PolarHBondContact O-N 3.15Å; E672-E674 VanDerWaalsContact C-N 3.29Å; E672-E674 PolarHBondContact O-N 3.34Å; E672-T676 PolarHBondContact O-OG1 3.1Å
673L33.5Very low33.2Very low126 Ų126119.8 Ų119.866%0.6666%0.656SS**Hα-helixtrans-75.6-18.1171.9-80.4166000113.5A669A669-L673 PolarHBondContact O-N 3.03Å
674E36.9Very low33.1Very low154 Ų154117.6 Ų117.672%0.7265%0.652SS**THydrogen-bonded Turntrans-86.3-8.4177.9-135166.6-166.300113.3E672E672-E674 VanDerWaalsContact C-N 3.29Å; E672-E674 PolarHBondContact O-N 3.34Å
675I37.2Very low33.2Very low139 Ų139123.3 Ų123.371%0.71368%0.676SS**THydrogen-bonded Turntrans-101.6-11.4-179-65.6174.2000112.7
676T32.5Very low33Very low117 Ų117125.5 Ų125.572%0.71869%0.688SS**SBendtrans-105.618.1-177.3340000116.6E672E672-T676 PolarHBondContact O-OG1 3.1Å
677A31.5Very low32.9Very low85 Ų85128.2 Ų128.270%0.70270%0.696SS**  trans-14359.4177.100000113.4
678N31.1Very low32.7Very low162 Ų162129.3 Ų129.387%0.86670%0.699SS**  trans-122.9141.2159.3-99.1-20.9000110.4
679P33.3Very low32.4Very low117 Ų117127 Ų12776%0.7670%0.704SS**  trans-101.2144.9-158.537.3-30.2000114.2
680M30.7Very low32.2Very low188 Ų188131.4 Ų131.493%0.92673%0.726SS**  trans-145.3114.9159.5-79.2-150.8170.900107.8
681N29.9Very low31.7Very low133 Ų133134.4 Ų134.471%0.71174%0.738SS**  93.4135.771.1-164.930000112.7
682N32.7Very low31.5Very low120 Ų120133.7 Ų133.764%0.64275%0.747SS**  trans74.7140.2168.4-68.6-16.1000118.2
683N32.7Very low31.2Very low122 Ų122133.4 Ų133.465%0.65275%0.754SS**  cis-175152.6-13.2-117.4-8000108.1
684N32.6Very low31Very low127 Ų127133.7 Ų133.768%0.67976%0.755SS**  trans91.7125.4143.8-61.3-9.6000123.7
685N33.2Very low30.8Very low148 Ų148133.2 Ų133.279%0.79176%0.758SS**  trans92.3100.2147.5-60-12.5000117.7
686S30.2Very low30.5Very low106 Ų106132.5 Ų132.574%0.74176%0.755SS**  91.1128.890.2-168.40000109.6
687M29.8Very low30.8Very low156 Ų156133.7 Ų133.777%0.76876%0.757SS**  cis-168.4156.826.6-139.8-177.5143.400109.1
688T31.3Very low31.1Very low110 Ų110132.4 Ų132.468%0.67575%0.752SS**  trans70.792.815044.70000123.2
689T26.1Very low31.6Very low125 Ų125129.4 Ų129.477%0.76774%0.736SS**  16.2127.1124.848.50000122.5
690T28.7Very low31.5Very low145 Ų145129.8 Ų129.889%0.8973%0.729SS**  -159.8143120.5400000111.4
691N24.7Very low31.8Very low157 Ų157122.9 Ų122.984%0.8470%0.702SS**  trans-68.5139.1-167.5-64.9-34.6000116.6
692T27.6Very low32.4Very low132 Ų132119.9 Ų119.981%0.8169%0.686SS**  trans-147.7118.8145.2-37.80000110.4I694T692-I694 PolarHBondContact O-N 2.68Å
693T28Very low32.8Very low132 Ų132118.7 Ų118.781%0.8168%0.679SS**  trans-66.6120.8177.1-45.90000110.7
694I30Very low33.3Very low133 Ų133119.3 Ų119.368%0.68268%0.676SS**  trans-116119.1170.5-63.9176.3000108.4T692 N696T692-I694 PolarHBondContact O-N 2.68Å; I694-N696 PolarHBondContact O-N 2.94Å
695N32.5Very low34Very low144 Ų144115.8 Ų115.877%0.7766%0.657SS**  trans-60114.5174.3-80.7-25.2000111
696N32.1Very low34.5Very low123 Ų123110.6 Ų110.666%0.65863%0.631SS**  trans-102.344.9-179.4-87.2-30.2000113.1I694I694-N696 PolarHBondContact O-N 2.94Å
697N37.5Very low35Very low142 Ų142113.5 Ų113.576%0.75963%0.625SS**  trans-82.4-16.3-179.6-78.3-4.7000114.6
698G38.9Very low35.4Very low58 Ų58113.8 Ų113.860%0.59862%0.618SS**THydrogen-bonded Turntrans-72.8-34.2-179.900000114.8M700G698-M700 VanDerWaalsContact C-N 3.27Å; G698-M700 PolarHBondContact O-N 3.47Å
699N40.5Very low35.7Very low100 Ų100112 Ų11254%0.53560%0.601SS.*Hα-helixtrans-71.5-17.6-176.3-104.3-11.9000114.2L703N699-L703 WeakPolarHBondContact O-CD1 3.46Å; N699-L703 PolarHBondContact O-N 3.41Å
700M32.5Very low36.4Very low124 Ų124111.9 Ų111.961%0.61159%0.591SS**Hα-helixtrans-81.6-23.6-175-146.4-175.9-153.500112.6G698 K704G698-M700 VanDerWaalsContact C-N 3.27Å; G698-M700 PolarHBondContact O-N 3.47Å; M700-K704 WeakPolarHBondContact O-CB 3.46Å; M700-K704 WeakPolarHBondContact O-CG 3.35Å; M700-K704 PolarHBondContact O-N 3.45Å
701A37.2Very low36.9Very low43 Ų43110 Ų11036%0.35558%0.58SS.*Hα-helixtrans-73.6-47.8174.900000110.7L703 K704 I705A701-L703 PolarHBondContact O-N 2.93Å; A701-K704 WeakPolarHBondContact O-CB 3.46Å; A701-K704 PolarHBondContact O-N 3.2Å; A701-I705 WeakPolarHBondContact O-CG1 3.23Å; A701-I705 PolarHBondContact O-N 3.44Å
702D42.9Very low37.7Very low71 Ų71109.2 Ų109.238%0.3858%0.575SS.*Hα-helixtrans-58-44.8176.5-75.5-22.2000112.3K704 I705 V706D702-K704 VanDerWaalsContact C-N 3.33Å; D702-K704 PolarHBondContact O-N 3.33Å; D702-I705 PolarHBondContact O-N 3.05Å; D702-V706 WeakPolarHBondContact O-CB 3.27Å; D702-V706 VanDerWaalsContact O-CG2 3.3Å; D702-V706 WeakPolarHBondContact O-CG2 3.49Å; D702-V706 PolarHBondContact O-N 2.87Å
703L41.1Very low38Very low94 Ų94104.8 Ų104.849%0.49256%0.556SS.*Hα-helixtrans-67.7-31.3176.3-99.889.4000113.1N699 A701 R707N699-L703 WeakPolarHBondContact O-CD1 3.46Å; N699-L703 PolarHBondContact O-N 3.41Å; A701-L703 PolarHBondContact O-N 2.93Å; L703-R707 VanDerWaalsContact O-CB 3.23Å; L703-R707 WeakPolarHBondContact O-CB 3.43Å; L703-R707 PolarHBondContact O-N 3.05Å
704K41.2Very low38.1Very low136 Ų136106.8 Ų106.859%0.59156%0.558SS**Hα-helixtrans-70.3-42.5176.5-82.1174.9-177.3177.50110.6M700 A701 D702 R708M700-K704 WeakPolarHBondContact O-CB 3.46Å; M700-K704 WeakPolarHBondContact O-CG 3.35Å; M700-K704 PolarHBondContact O-N 3.45Å; A701-K704 WeakPolarHBondContact O-CB 3.46Å; A701-K704 PolarHBondContact O-N 3.2Å; D702-K704 VanDerWaalsContact C-N 3.33Å; D702-K704 PolarHBondContact O-N 3.33Å; K704-R708 VanDerWaalsContact O-CB 3.32Å; K704-R708 WeakPolarHBondContact O-CB 3.2Å; K704-R708 PolarHBondContact O-N 3.48Å
705I48.9Very low38Very low52 Ų52108 Ų10827%0.26757%0.566SS.*Hα-helixtrans-62.6-53.6176.5-66.8166.2000109.4L234 A701 D702 R707 R708 F709L234-I705 HydrophobicContact CD1-CD1 4.03Å; A701-I705 WeakPolarHBondContact O-CG1 3.23Å; A701-I705 PolarHBondContact O-N 3.44Å; D702-I705 PolarHBondContact O-N 3.05Å; I705-R707 PolarHBondContact O-N 3.44Å; I705-R708 PolarHBondContact O-N 3.21Å; I705-R708 VanDerWaalsContact O-N 3.14Å; I705-F709 HydrophobicContact CG2-CD2 3.7Å; I705-F709 HydrophobicContact CG2-CE2 3.79Å; I705-F709 VanDerWaalsContact O-CD2 3.31Å; I705-F709 WeakPolarHBondContact O-CD2 3.47Å; I705-F709 PolarHBondContact O-N 3.33Å
706V43.4Very low37.7Very low40 Ų40110.4 Ų110.424%0.24257%0.572CS.*Hα-helixtrans-60.3-44.3179.9174.90000111.9V407 D702 F709 Q710V407-V706 HydrophobicContact CG1-CG1 4.5Å; D702-V706 WeakPolarHBondContact O-CB 3.27Å; D702-V706 VanDerWaalsContact O-CG2 3.3Å; D702-V706 WeakPolarHBondContact O-CG2 3.49Å; D702-V706 PolarHBondContact O-N 2.87Å; V706-F709 PolarHBondContact O-N 2.92Å; V706-Q710 WeakPolarHBondContact O-CB 3.12Å; V706-Q710 VanDerWaalsContact O-CG 3.26Å; V706-Q710 WeakPolarHBondContact O-CG 3.38Å; V706-Q710 PolarHBondContact O-N 3.26Å
707R39.4Very low37.3Very low167 Ų167113.1 Ų113.163%0.6359%0.586SS**Hα-helixtrans-65.7-37.9175.9-85-173.7176.8157.7-0.2112.4L703 I705 Q710 T711L703-R707 VanDerWaalsContact O-CB 3.23Å; L703-R707 WeakPolarHBondContact O-CB 3.43Å; L703-R707 PolarHBondContact O-N 3.05Å; I705-R707 PolarHBondContact O-N 3.44Å; R707-Q710 PolarHBondContact O-N 3.12Å; R707-T711 WeakPolarHBondContact O-CB 3.43Å; R707-T711 PolarHBondContact O-N 2.8Å; R707-T711 PolarHBondContact O-OG1 3.42Å
708R39.3Very low36.9Very low162 Ų162110.6 Ų110.661%0.61159%0.585SS**Hα-helixtrans-69-40.3179.5-127.7168.2178162.8-6.3111.6K704 I705 Q710 T711 L712K704-R708 VanDerWaalsContact O-CB 3.32Å; K704-R708 WeakPolarHBondContact O-CB 3.2Å; K704-R708 PolarHBondContact O-N 3.48Å; I705-R708 PolarHBondContact O-N 3.21Å; I705-R708 VanDerWaalsContact O-N 3.14Å; R708-Q710 VanDerWaalsContact C-N 3.31Å; R708-Q710 PolarHBondContact O-N 3.29Å; R708-T711 PolarHBondContact O-N 2.93Å; R708-L712 HydrophobicContact CG-CD1 4.07Å; R708-L712 WeakPolarHBondContact O-CB 3.47Å; R708-L712 PolarHBondContact O-N 2.91Å
709F37.6Very low36.3Very low73 Ų73116.4 Ų116.432%0.3260%0.596SS.*Hα-helixtrans-61.3-37.8171.8-89.9-79.9000112.5M181 F195 I705 V706M181-F709 HydrophobicContact CE-CZ 3.89Å; F195-F709 AromaticContact CD2-CE1 3.96Å; F195-F709 HydrophobicContact CD2-CE1 3.96Å; F195-F709 AromaticContact CD2-CZ 3.74Å; F195-F709 HydrophobicContact CD2-CZ 3.74Å; F195-F709 AromaticContact CE2-CE1 3.4Å; F195-F709 HydrophobicContact CE2-CE1 3.4Å; F195-F709 VanDerWaalsContact CE2-CE1 3.4Å; F195-F709 AromaticContact CE2-CZ 3.47Å; F195-F709 HydrophobicContact CE2-CZ 3.47Å; F195-F709 VanDerWaalsContact CE2-CZ 3.47Å; F195-F709 HydrophobicContact CZ-CE1 4.3Å; I705-F709 HydrophobicContact CG2-CD2 3.7Å; I705-F709 HydrophobicContact CG2-CE2 3.79Å; I705-F709 VanDerWaalsContact O-CD2 3.31Å; I705-F709 WeakPolarHBondContact O-CD2 3.47Å; I705-F709 PolarHBondContact O-N 3.33Å; V706-F709 PolarHBondContact O-N 2.92Å
710Q39.6Very low35.7Very low121 Ų121118.7 Ų118.757%0.56561%0.614SS**Hα-helixtrans-75.3-28.2175.5-72.6173.1-1600113.8V706 R707 R708V706-Q710 WeakPolarHBondContact O-CB 3.12Å; V706-Q710 VanDerWaalsContact O-CG 3.26Å; V706-Q710 WeakPolarHBondContact O-CG 3.38Å; V706-Q710 PolarHBondContact O-N 3.26Å; R707-Q710 PolarHBondContact O-N 3.12Å; R708-Q710 VanDerWaalsContact C-N 3.31Å; R708-Q710 PolarHBondContact O-N 3.29Å
711T39.6Very low35.4Very low107 Ų107119 Ų11966%0.65662%0.623SS**Hα-helixtrans-87.5-24.5-176-45.30000112.2R707 R708R707-T711 WeakPolarHBondContact O-CB 3.43Å; R707-T711 PolarHBondContact O-N 2.8Å; R707-T711 PolarHBondContact O-OG1 3.42Å; R708-T711 PolarHBondContact O-N 2.93Å
712L41.1Very low34.9Very low140 Ų140123.2 Ų123.273%0.73365%0.648SS**Hα-helixtrans-98.9-3.5-178.1-65.9170.1000113.8R708R708-L712 HydrophobicContact CG-CD1 4.07Å; R708-L712 WeakPolarHBondContact O-CB 3.47Å; R708-L712 PolarHBondContact O-N 2.91Å
713G34.3Very low34.3Very low39 Ų39125.2 Ų125.240%0.40266%0.663SS.*SBendtrans-126114.7170.700000111
714M30.2Very low33.7Very low174 Ų174128.8 Ų128.886%0.85768%0.683SS**SBendtrans76.368.2165.9-51.1-87.285.500116.9
715N27.6Very low33.2Very low158 Ų158133.1 Ų133.185%0.84570%0.695SS**  trans-147.465.7148.5-88.2-37.4000109.5
716Q26.3Very low32.2Very low194 Ų194136.2 Ų136.291%0.90772%0.719SS**  trans-135.570.2157-78.8-162.360.500108
717L24.1Very low31.7Very low181 Ų181142.7 Ų142.795%0.94875%0.751SS**  trans-142.982.2160.9-92.6168.9000106.3
718A28.7Very low31.5Very low89 Ų89140.6 Ų140.674%0.73676%0.757SS**  trans-144.7128.316000000106.9
719E27.7Very low31.1Very low180 Ų180140.4 Ų140.484%0.84177%0.768SS**SBendtrans81.283.9165.2-55179.5-176.600117.5
720T27.5Very low30.9Very low148 Ų148140.7 Ų140.791%0.90879%0.791SS**  -169.186.8115.717.70000109.7C722T720-C722 PolarHBondContact O-N 2.75Å
721T26.8Very low30.5Very low131 Ų131145.8 Ų145.880%0.80481%0.807SS**  trans-72.6107.2161.4-18.20000107.6
722C26.5Very low30.5Very low130 Ų130145 Ų14588%0.87880%0.804SS**  trans-135.499.5152.1-99.30000108.6T720T720-C722 PolarHBondContact O-N 2.75Å
723V28.6Very low30.2Very low114 Ų114145.1 Ų145.169%0.69181%0.805SS**  trans-55.6135.8168.9179.40000109.4
724N29.5Very low30.2Very low169 Ų169152.3 Ų152.390%0.90483%0.828SS**  trans-153.491.4144.3-92.8-32.9000109
725R29.9Very low30.4Very low226 Ų226153.8 Ų153.885%0.85383%0.83SS**  trans-91.6147.1151.2-114-172-174.2-1631.9107.5
726P28.6Very low31Very low118 Ų118152 Ų15277%0.76683%0.826SS**  trans-78.4132.6-165.732.3-31.7000110.4
727L32.9Very low31.4Very low175 Ų175147.7 Ų147.792%0.91682%0.818SS**  trans-136.5140.6157.9-77.4177.7000110.3
728V35.2Very low31.9Very low123 Ų123143.2 Ų143.275%0.74580%0.802SS**  trans-72.2140.6-170.3168.20000111.4
729N31.7Very low32.4Very low159 Ų159146.7 Ų146.785%0.8580%0.803SS**  trans49.2126.4154.7-63.8-0.3000121.3
730G32.5Very low32.8Very low79 Ų79149.1 Ų149.181%0.81480%0.804SS**  trans147.190.5148.700000115.9
731Y31.8Very low33.2Very low228 Ų228145.3 Ų145.389%0.89480%0.795SS**  trans-60177.7161.3-84.6-80.7000112.8
732P39.6Very low33.9Very low90 Ų90144.9 Ų144.958%0.58479%0.794SS**  cis-139.4177.9-27.434.8-15.8000114.5
733N34.8Very low34.2Very low142 Ų142146.8 Ų146.876%0.75979%0.794SS**  trans66.1132.9149.9-63.2-17.2000117.6
734E34.3Very low34.5Very low191 Ų191145.7 Ų145.789%0.89379%0.792SS**  -170168.951.2-132.5162.4-136.800111.4
735K34.4Very low34.7Very low205 Ų205144.8 Ų144.889%0.89179%0.787SS**  trans-83.5172-158.8-101.8-175.7179.71750116.8
736P39.7Very low34.9Very low119 Ų119138.8 Ų138.877%0.77378%0.78SS**  trans-103.5175.9-164.341.9-36.1000114.6
737S35.5Very low35.2Very low104 Ų104138 Ų13873%0.72778%0.777SS**  trans-158.6118.2158.559.20000109.3
738S34.6Very low35.1Very low88 Ų88136.6 Ų136.662%0.61577%0.771SS**  77.7117.993.781.60000112.2
739H38Very low35Very low161 Ų161141.4 Ų141.475%0.74578%0.775SS**  148.9147.999.1-97.1-22000105.2
740R36.2Very low34.8Very low231 Ų231141.1 Ų141.187%0.87277%0.773SS**  cis-157.8149.215.7-95.7154.4-174-154.63.3103.2
741G35.8Very low34.6Very low69 Ų69146.6 Ų146.671%0.71178%0.78SS**  cis122.315242.200000108.9
742P41.1Very low34.4Very low122 Ų122142 Ų14279%0.79278%0.775SS**  -128.1-166.6-128.436.1-17.4000113.6
743L33.3Very low34.1Very low169 Ų169142.8 Ų142.889%0.88578%0.783SS**  trans146.1143.8157.5-78.2156.3000108.2
744S34.2Very low33.9Very low92 Ų92146.2 Ų146.264%0.64379%0.785SS**  cis-174.7144.5-453.40000108.8
745N34.7Very low33.7Very low150 Ų150145.9 Ų145.980%0.80279%0.788SS**  trans55.2122.6137.3-73.4-7.4000124.5
746S34.9Very low33.6Very low100 Ų100143.5 Ų143.570%0.69978%0.78SS**  86115.911874.20000121.9
747S33.3Very low33.2Very low100 Ų100145.9 Ų145.970%0.69978%0.781SS**  89.6121.1123-670000121.5
748N31.1Very low33Very low147 Ų147147.4 Ų147.479%0.78678%0.78SS**  trans89111.4138-68.4-27.2000121.3
749R32.8Very low32.8Very low223 Ų223151.2 Ų151.284%0.84279%0.786SS**  65.9120.8126.4-103.3179.9177.8-162.20.2120.2
750L27.6Very low32.8Very low153 Ų153151.1 Ų151.180%0.80179%0.786SS**  trans56.2110.1147.8-77.2153.4000117.6
751M28.9Very low32.6Very low194 Ų194145.9 Ų145.996%0.95678%0.784SS**  176.5150.1127.9-97.3-156.6-145.900113.3
752V27.9Very low32.6Very low131 Ų131146.2 Ų146.279%0.79479%0.788SS**  trans-75.2151.4169.3168.90000111.3
753S32.6Very low32.3Very low108 Ų108147.6 Ų147.676%0.75579%0.789SS**  trans123.6146.2157.4-66.20000112.3
754R30.5Very low32.5Very low213 Ų213144.9 Ų144.980%0.80478%0.78SS**  cis-177.6129.3-10.6-178.9173-167.4149.5-1.7103.2Q756R754-Q756 PolarHBondContact O-N 3Å
755L30.5Very low32.6Very low184 Ų184149.2 Ų149.296%0.96379%0.787SS**  trans-78.2115.9164.1-84.3166.8000107.8
756Q32.2Very low32.7Very low155 Ų155147.3 Ų147.372%0.72479%0.785SS**  trans-98.3130.2175.3176.297.11.600106.9R754R754-Q756 PolarHBondContact O-N 3Å
757E31Very low32.8Very low169 Ų169148.2 Ų148.279%0.7979%0.792SS**  174.3130.2125.5-98.8176.8-174.200113.5
758I31.1Very low33Very low136 Ų136149.6 Ų149.670%0.69780%0.798SS**  trans87.685.4155.4-52.7152.7000118.4
759F32Very low33.2Very low169 Ų169146.1 Ų146.174%0.74180%0.797SS**  -178.4103.3112.7-109-81.7000112
760E36.4Very low33.1Very low158 Ų158140.4 Ų140.474%0.73879%0.791SS**  trans60.998.3139.6-63.7174.3179.700124
761S33.7Very low33.3Very low121 Ų121140.9 Ų140.985%0.84679%0.789SS**  47.2127.3127.160.50000124.2
762G34Very low33.5Very low77 Ų77137 Ų13779%0.79478%0.776SS**  trans154.185.4141.800000119.4
763N35.9Very low33.6Very low151 Ų151137.1 Ų137.181%0.80777%0.773SS**  trans49.9110.3149-78.7-5.1000122.3
764T36.8Very low33.6Very low112 Ų112142.2 Ų142.269%0.68778%0.775SS**  60.213385.965.40000115.3
765K37.6Very low33.7Very low183 Ų183137.5 Ų137.580%0.79677%0.771SS**  cis-174.9148.523.2-116.7167.4-175.9-178.50110.5
766S37Very low33.7Very low110 Ų110135 Ų13577%0.76976%0.758SS**  trans54.8149.6145.661.10000122.3
767S36.4Very low33.6Very low119 Ų119136.1 Ų136.183%0.83276%0.76SS**  cis-178.5165.2-21.1-103.70000107
768P38Very low33.5Very low129 Ų129133.3 Ų133.384%0.83876%0.755SS**  trans-112.8170.8-149.440.2-31.9000117.1
769G34.2Very low33.3Very low74 Ų74133.9 Ų133.976%0.76376%0.759SS**  trans-165.4116.2168.900000114.9
770S30.1Very low33.1Very low103 Ų103131.7 Ų131.772%0.7276%0.759SS**  trans46.2125.1136.7-170.70000123.5
771Q33.3Very low32.7Very low163 Ų163128.3 Ų128.376%0.76275%0.753SS**  trans79.9116.7137.1-78.6-178.61.500123
772T31.6Very low32.5Very low111 Ų111128 Ų12868%0.68175%0.746SS**  trans78.3127.4130.161.20000122.2
773N32Very low32.5Very low134 Ų134130.7 Ų130.772%0.71774%0.741SS**  trans82113.6137.5-76.1-22.5000121.2
774R32Very low32.4Very low215 Ų215130.6 Ų130.681%0.81174%0.735SS**  76.2121.7127.7-81.6-175.6172.8166.5-1.5119.4
775T31.8Very low32.2Very low115 Ų115131.9 Ų131.971%0.70674%0.738SS**  trans86128.9132.853.80000120
776N30.4Very low32.1Very low130 Ų130129 Ų12970%0.69573%0.731SS**  trans86110.6142.2-71-27.2000119.2
777K31.5Very low32Very low179 Ų179131.4 Ų131.478%0.77874%0.735SS**  71.1116.8118.9-77.8-176.3179.11790118.2
778T28.9Very low31.9Very low110 Ų110131.7 Ų131.768%0.67573%0.727SS**  95.8118.8118-610000118.2
779L26.6Very low31.9Very low149 Ų149132.7 Ų132.778%0.7873%0.725SS**  trans69.1136.2143.4-79.1164.1000120.7
780V27.6Very low32Very low122 Ų122133.3 Ų133.374%0.73972%0.718SS**  trans78.4140.2132.6162.40000115.3
781S27.2Very low32.3Very low88 Ų88135.8 Ų135.862%0.61572%0.723SS**  cis177.4-168.8-17.555.50000105
782V29.9Very low32.4Very low115 Ų115132.5 Ų132.570%0.69772%0.719SS**  trans79.7130.7158.9-137.60000113.8
783I33.2Very low32.6Very low133 Ų133134.4 Ų134.468%0.68272%0.723SS**  -177.2129.566.9-89.7179.6000111.8
784H34.3Very low32.8Very low148 Ų148134 Ų13469%0.68573%0.727SS**  trans69.6143.7140.2-61.651.7000119.4
785N33.7Very low33.1Very low140 Ų140129.9 Ų129.975%0.74973%0.726SS**  cis-162.2160.843.2-152.54000114.3
786N34.1Very low33Very low123 Ų123133.9 Ų133.966%0.65873%0.734SS**  trans-59.6154.7-169.3-69-39.4000118.8
787N36.4Very low33.2Very low159 Ų159135.5 Ų135.585%0.8574%0.741SS**  -162.2146115.3-108.3-18.3000114.8
788N34.2Very low33.1Very low125 Ų125134.3 Ų134.367%0.66874%0.744SS**  trans-75150.7-162.3-58.4-51.1000116
789N36.6Very low33.5Very low150 Ų150135.1 Ų135.180%0.80275%0.748SS**  178.5124.5105.4-108.4-8.7000115.5
790S36.9Very low33.8Very low87 Ų87133.7 Ų133.761%0.60875%0.746SS**  trans64.1118.9135.463.10000124.1
791N36.3Very low34.1Very low155 Ų155133.4 Ų133.483%0.82975%0.745SS**  trans72.6137.4136.3-58.7-11.3000118.8
792S35.5Very low34.4Very low95 Ų95136.9 Ų136.966%0.66476%0.756SS**  cis177.8143.4-3.147.20000109
793I35.8Very low34.4Very low151 Ų151137.4 Ų137.477%0.77476%0.76SS**  trans83.3122.4154.4-54.2152.1000120.5
794P35.1Very low34.5Very low124 Ų124138 Ų13881%0.80577%0.77SS**  trans-115.6156.1160.337.9-25.5000113.7
795V38.3Very low34.4Very low130 Ų130138.4 Ų138.479%0.78878%0.777SS**  trans-132126.7169.7176.70000110.8
796K31Very low34.3Very low199 Ų199138.2 Ų138.287%0.86579%0.785SS**  trans-88.1152.2166.8-86.8177.8172176.20110.2
797L35.2Very low34.2Very low163 Ų163138.2 Ų138.285%0.85379%0.79SS**  trans-154.9122.6146.4-104.3143.1000111.1
798N28.8Very low34.1Very low155 Ų155136.9 Ų136.983%0.82979%0.788SS**  trans-95.8149.8166-87.5-11.6000108.7
799T36Very low34.1Very low126 Ų126136.3 Ų136.377%0.77379%0.789SS**  trans-170.9107.214733.40000110.1
800T34.7Very low34Very low120 Ų120136.3 Ų136.374%0.73679%0.789SS**  78.6109.493.221.60000118.2
801T32.2Very low33.9Very low115 Ų115136.2 Ų136.271%0.70679%0.794SS**  trans36.3130.6130.457.90000122
802N33.6Very low33.8Very low161 Ų161134.7 Ų134.786%0.86179%0.79SS**  -174.3139.2112.5-92.5-16000114.2
803T30.4Very low33.7Very low126 Ų126136.5 Ų136.577%0.77380%0.797SS**  trans-86.8149.6174.441.40000112.8
804T36Very low33.7Very low146 Ų146134.1 Ų134.190%0.89679%0.794SS**  trans-161.4131.5144.723.30000112.4
805N31Very low33.7Very low156 Ų156134 Ų13483%0.83479%0.791SS**  trans-77.1158.8172.1-71.5-31.7000112.1
806C32.7Very low33.7Very low136 Ų136132.6 Ų132.692%0.91979%0.787SS**  trans-166.3137.7133.2-1090000113.2
807T31.4Very low34Very low123 Ų123132.1 Ų132.176%0.75579%0.785SS**  trans-89.6157.6-175.940.30000114.2
808T35.3Very low34Very low132 Ų132134.1 Ų134.181%0.8178%0.782SS**  trans176.2104.6144.417.20000108.6
809T32.9Very low34.3Very low113 Ų113134.1 Ų134.169%0.69378%0.78SS**  71.4133.580.959.10000118
810N35.8Very low34.3Very low149 Ų149132.3 Ų132.380%0.79777%0.773SS**  trans115.8103.2154.2-61.5-15.7000114.2
811A33.2Very low34.5Very low86 Ų86133.5 Ų133.571%0.71177%0.773SS**  72.9128.180.100000110.7
812T35.6Very low35Very low122 Ų122138.9 Ų138.975%0.74880%0.798SS**  -176.4138.157.9350000111.9
813T33.6Very low35Very low133 Ų133137.8 Ų137.882%0.81680%0.795SS**  trans42.9131.9136.957.20000124.2
814S35.5Very low35.3Very low101 Ų101138.4 Ų138.471%0.70680%0.796SS**  156.798.2112.21790000111
815T34.4Very low35.2Very low122 Ų122138 Ų13875%0.74879%0.79SS**  59111.2102.635.10000118.7
816S37.6Very low35.5Very low101 Ų101136.9 Ų136.971%0.70679%0.788SS**  161116.1112.5-86.90000110.1
817K38.2Very low35.6Very low188 Ų188137 Ų13782%0.81778%0.78SS**  64.2138.1100-81.7-177.9-179.9171.60112.4
818R34.9Very low35.9Very low206 Ų206137.9 Ų137.978%0.77778%0.781SS**  cis171.8146.80.5-167.7-171.9-169-176.32.3102.2
819L36.3Very low36Very low154 Ų154138.4 Ų138.481%0.80678%0.779SS**  trans138.7127.4137.8-77.8148000113
820S34.1Very low36.2Very low88 Ų88140.3 Ų140.362%0.61579%0.786SS**  trans-105176.5-171.4450000110.4
821I39.2Very low36.2Very low145 Ų145139.6 Ų139.674%0.74479%0.785SS**  trans88.1122.1160.4-50.5153.3000111.9
822N42.2Very low36.5Very low229 Ų229144.5 Ų144.5100%1.22579%0.792SS**  cis-126.1028-88.8-46.3000113.5

Retrieved 822 of 822 residues in 888.2 ms (Link to these results)

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