A0A096MZR0_PAPAN Loading...

Voltage-gated potassium channel regulatory subunit KCNG3

AlphaFold DB , UniProt , Accession A0A096MZR0, Species PAPAN (Papio anubis, Olive baboon), Gene KCNG3, Length 436 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
1M35.5Very low54.4Low238 Ų23893.6 Ų93.6100%1.17258%0.577SS**  0114.50-74.7166.8173.600107.5
2T40Very low57.4Low88 Ų8889.3 Ų89.354%0.5455%0.55SS..  trans-84.3119.2-176.342.70000110.3G4 R5T2-G4 PolarHBondContact O-N 3.05Å; T2-R5 WeakPolarHBondContact OG1-CD 3.5Å
3F44.6Very low60.1Low65 Ų6582.5 Ų82.529%0.28551%0.508SS..THydrogen-bonded Turntrans-57.2132.2169.2-85.1-97000109.8R42 E44 Y54 R56F3-R42 WeakPolarHBondContact CD2-O 3.41Å; F3-E44 HydrophobicContact CE1-CB 4.36Å; F3-E44 HydrophobicContact CZ-CB 4.25Å; F3-Y54 HydrophobicContact CD1-CE1 4.15Å; F3-Y54 HydrophobicContact CE1-CE1 4.17Å; F3-R56 HydrophobicContact CE1-CG 4.48Å; F3-R56 VanDerWaalsContact CZ-CZ 3.49Å; F3-R56 VanDerWaalsContact CZ-NH2 3.32Å
4G50Low62.6Low32 Ų3277.9 Ų77.933%0.3348%0.478SS..THydrogen-bonded Turntrans88.117.317600000117.6T2T2-G4 PolarHBondContact O-N 3.05Å
5R47.2Very low64.8Low211 Ų21172.7 Ų72.780%0.79645%0.446SS*.  trans-102.516.3170.8-99.2-170.5173.2178.5-2.6114.9T2T2-R5 WeakPolarHBondContact OG1-CD 3.5Å
6S47.5Very low66.4Low103 Ų10370.6 Ų70.672%0.7244%0.444SS*.SBendtrans-68.6132.4158.8-174.10000107.3A8S6-A8 PolarHBondContact O-N 3.06Å
7G51.4Low67.8Low88 Ų8869.5 Ų69.591%0.90745%0.45SS*.  trans-65.529.5-171.600000116.5
8A55.3Low69.2Low51 Ų5167.3 Ų67.342%0.42144%0.438SS..  trans-75.8123.4177.200000110.7S6 S10S6-A8 PolarHBondContact O-N 3.06Å; A8-S10 PolarHBondContact O-N 3.15Å
9A66Low70.5Confident87 Ų8772.1 Ų72.172%0.71945%0.446SS*.SBendtrans-68.9-7.5179.500000114.1R24A9-R24 PolarHBondContact O-N 3.11Å
10S76.6Confident71.5Confident49 Ų4970.7 Ų70.734%0.34343%0.433SS..EExtended strand (participates in β ladder)trans-140.4155.9-175.263.80000113.2A8 S21 L22A8-S10 PolarHBondContact O-N 3.15Å; S10-S21 WeakPolarHBondContact CB-OG 3.43Å; S10-S21 PolarHBondContact OG-OG 3.35Å; S10-L22 CarbonylContact C-O 3.56Å; S10-L22 WeakPolarHBondContact CA-O 3.5Å; S10-L22 VanDerWaalsContact CB-O 3.31Å; S10-L22 WeakPolarHBondContact CB-O 3.4Å
11V84.6Confident72.3Confident18 Ų1870 Ų7011%0.10943%0.431CS..EExtended strand (participates in β ladder)trans-115.1137.2176.1173.20000108.5L13 S21 L22 L27 Y61V11-L13 HydrophobicContact CG1-CD2 4.09Å; V11-S21 WeakPolarHBondContact O-CA 3.31Å; V11-L22 PolarHBondContact N-O 3.02Å; V11-L22 PolarHBondContact O-N 2.95Å; V11-L27 HydrophobicContact CB-CD1 3.66Å; V11-L27 HydrophobicContact CG1-CD1 4.24Å; V11-L27 HydrophobicContact CG2-CD1 3.53Å; V11-Y61 HydrophobicContact CG1-CD2 3.67Å; V11-Y61 HydrophobicContact CG1-CE2 3.58Å
12V90.7Very high74.7Confident42 Ų4258.8 Ų58.826%0.25538%0.376SS..EExtended strand (participates in β ladder)trans-102.8121.8179.6-176.10000109.8R19 E60 Y61V12-R19 HydrophobicContact CG1-CB 4.33Å; V12-E60 HydrophobicContact CG1-CG 4.19Å; V12-Y61 PolarHBondContact O-N 3.46Å
13L92.6Very high76.7Confident0 Ų057 Ų570%037%0.367CS..EExtended strand (participates in β ladder)trans-103.4131.4169.8-50.8-175.4000109.5V11 V15 R19 Y20 L22 V35 L38 Y61 F63 F70V11-L13 HydrophobicContact CG1-CD2 4.09Å; L13-V15 HydrophobicContact CB-CG2 4.47Å; L13-R19 CarbonylContact O-C 3.32Å; L13-R19 WeakPolarHBondContact O-CA 3.45Å; L13-Y20 PolarHBondContact N-O 3.16Å; L13-Y20 PolarHBondContact O-N 2.76Å; L13-L22 HydrophobicContact CD1-CD1 3.28Å; L13-L22 HydrophobicContact CD1-CG 4.43Å; L13-L22 HydrophobicContact CG-CD1 3.74Å; L13-V35 HydrophobicContact CD1-CG1 3.84Å; L13-V35 HydrophobicContact CD1-CG2 4.41Å; L13-L38 HydrophobicContact CD2-CD1 3.88Å; L13-Y61 CarbonylContact C-O 3.6Å; L13-Y61 WeakPolarHBondContact CA-O 3.35Å; L13-Y61 HydrophobicContact CD2-CD2 4.32Å; L13-Y61 HydrophobicContact CD2-CG 4.37Å; L13-F63 HydrophobicContact CD2-CE2 4.05Å; L13-F70 HydrophobicContact CD1-CE1 4.19Å; L13-F70 HydrophobicContact CD1-CZ 3.71Å
14N94.4Very high78.2Confident18 Ų1858.7 Ų58.710%0.09637%0.372CS..EExtended strand (participates in β ladder)trans-107.1110.2171.7-175.3-22000108.9G17 A18 E60 Y61 F62 F63N14-G17 WeakPolarHBondContact OD1-CA 3.5Å; N14-G17 PolarHBondContact OD1-N 2.88Å; N14-A18 CarbonylContact C-O 3.51Å; N14-A18 WeakPolarHBondContact CA-O 3.41Å; N14-E60 HydrophobicContact CB-CG 3.82Å; N14-E60 VanDerWaalsContact CB-OE1 3.22Å; N14-E60 WeakPolarHBondContact CB-OE1 3.42Å; N14-E60 PolarHBondContact ND2-OE1 3.32Å; N14-Y61 PolarHBondContact N-O 3.4Å; N14-F62 HydrophobicContact CB-CD2 4.01Å; N14-F62 CarbonylContact O-C 3.58Å; N14-F62 WeakPolarHBondContact O-CA 3.47Å; N14-F63 PolarHBondContact O-N 3.45Å
15V95.2Very high79.4Confident0 Ų064.5 Ų64.50%039%0.39CS..EExtended strand (participates in β ladder)trans-113.2111.2-178.4-173.70000108.3L13 G17 A18 Y20 F63 R65 S67 F70 W101L13-V15 HydrophobicContact CB-CG2 4.47Å; V15-G17 PolarHBondContact O-N 2.91Å; V15-G17 VanDerWaalsContact O-N 3.15Å; V15-A18 PolarHBondContact N-O 3.12Å; V15-A18 PolarHBondContact O-N 3.36Å; V15-Y20 HydrophobicContact CB-CD2 4.34Å; V15-Y20 HydrophobicContact CB-CE2 4.1Å; V15-Y20 HydrophobicContact CG2-CD2 4.18Å; V15-Y20 HydrophobicContact CG2-CE2 4.4Å; V15-F63 WeakPolarHBondContact CA-O 3.37Å; V15-F63 HydrophobicContact CG1-CB 4.47Å; V15-F63 HydrophobicContact CG2-CB 4.29Å; V15-F63 HydrophobicContact CG2-CD2 4.37Å; V15-R65 HydrophobicContact CG1-CB 3.88Å; V15-S67 WeakPolarHBondContact O-CB 3.46Å; V15-F70 HydrophobicContact CB-CB 4.36Å; V15-F70 HydrophobicContact CB-CD1 4.1Å; V15-F70 HydrophobicContact CB-CG 4.33Å; V15-F70 HydrophobicContact CG1-CB 3.88Å; V15-F70 HydrophobicContact CG1-CD1 4.46Å; V15-F70 HydrophobicContact CG1-CG 4.2Å; V15-F70 HydrophobicContact CG2-CB 4.44Å; V15-F70 HydrophobicContact CG2-CD1 3.51Å; V15-F70 HydrophobicContact CG2-CD2 4.49Å; V15-F70 HydrophobicContact CG2-CE1 3.78Å; V15-F70 HydrophobicContact CG2-CG 3.89Å; V15-F70 HydrophobicContact CG2-CZ 4.38Å; V15-W101 HydrophobicContact CG1-CH2 4.16Å; V15-W101 HydrophobicContact CG1-CZ2 3.77Å; V15-W101 HydrophobicContact CG2-CH2 3.87Å; V15-W101 HydrophobicContact CG2-CZ2 4.23Å
16G91.3Very high80.7Confident40 Ų4056.5 Ų56.541%0.41236%0.363SS..THydrogen-bonded Turntrans5631.5-179.800000113.6F63 R65G16-F63 PolarHBondContact N-O 3.15Å; G16-R65 VanDerWaalsContact CA-O 3.27Å; G16-R65 WeakPolarHBondContact CA-O 3.4Å; G16-R65 PolarHBondContact N-O 3.35Å
17G89.5Confident82Confident52 Ų5251.8 Ų51.854%0.53633%0.33SS..THydrogen-bonded Turntrans93-13.2-177.400000115.1N14 V15N14-G17 WeakPolarHBondContact OD1-CA 3.5Å; N14-G17 PolarHBondContact OD1-N 2.88Å; V15-G17 PolarHBondContact O-N 2.91Å; V15-G17 VanDerWaalsContact O-N 3.15Å
18A93.8Very high82.9Confident29 Ų2953.8 Ų53.824%0.2431%0.313CS..EExtended strand (participates in β ladder)trans-90.7130.8177.800000111.4N14 V15 Y20N14-A18 CarbonylContact C-O 3.51Å; N14-A18 WeakPolarHBondContact CA-O 3.41Å; V15-A18 PolarHBondContact N-O 3.12Å; V15-A18 PolarHBondContact O-N 3.36Å; A18-Y20 HydrophobicContact CB-CE2 3.7Å; A18-Y20 WeakPolarHBondContact O-CD2 3.08Å; A18-Y20 WeakPolarHBondContact O-CE2 3.16Å
19R93.6Very high83.3Confident158 Ų15858.4 Ų58.460%0.59633%0.331SS*.EExtended strand (participates in β ladder)trans-95.5129.3-176.4-62.6-174.7-179.6108.93.8112.2V12 L13 E60V12-R19 HydrophobicContact CG1-CB 4.33Å; L13-R19 CarbonylContact O-C 3.32Å; L13-R19 WeakPolarHBondContact O-CA 3.45Å; R19-E60 WeakPolarHBondContact CD-OE1 3.28Å; R19-E60 IonicContact CZ-OE1 2.72Å; R19-E60 IonicContact NE-OE1 3.26Å; R19-E60 PolarHBondContact NE-OE1 2.87Å; R19-E60 IonicContact NE-OE2 2.7Å; R19-E60 IonicContact NH2-OE1 3.37Å
20Y90.9Very high83.5Confident44 Ų4454.8 Ų54.817%0.17330%0.299CS..EExtended strand (participates in β ladder)trans-125.1121.6179.1-59.8-84000110.1L13 V15 A18 S67 F70 L74L13-Y20 PolarHBondContact N-O 3.16Å; L13-Y20 PolarHBondContact O-N 2.76Å; V15-Y20 HydrophobicContact CB-CD2 4.34Å; V15-Y20 HydrophobicContact CB-CE2 4.1Å; V15-Y20 HydrophobicContact CG2-CD2 4.18Å; V15-Y20 HydrophobicContact CG2-CE2 4.4Å; A18-Y20 HydrophobicContact CB-CE2 3.7Å; A18-Y20 WeakPolarHBondContact O-CD2 3.08Å; A18-Y20 WeakPolarHBondContact O-CE2 3.16Å; Y20-S67 PolarHBondContact OH-O 3.01Å; Y20-F70 AromaticContact CD2-CD1 3.6Å; Y20-F70 HydrophobicContact CD2-CD1 3.6Å; Y20-F70 AromaticContact CD2-CE1 3.78Å; Y20-F70 HydrophobicContact CD2-CE1 3.78Å; Y20-F70 AromaticContact CE2-CD1 3.69Å; Y20-F70 HydrophobicContact CE2-CD1 3.69Å; Y20-F70 HydrophobicContact CE2-CE1 4.35Å; Y20-F70 HydrophobicContact CG-CD1 4.03Å; Y20-F70 AromaticContact CG-CE1 3.91Å; Y20-F70 HydrophobicContact CG-CE1 3.91Å; Y20-L74 HydrophobicContact CD1-CD2 3.41Å; Y20-L74 VanDerWaalsContact CD1-CD2 3.41Å; Y20-L74 HydrophobicContact CE1-CD2 4.22Å; Y20-L74 HydrophobicContact CG-CD2 3.91Å
21S88.8Confident83.1Confident58 Ų5855 Ų5541%0.40630%0.299SS..EExtended strand (participates in β ladder)trans-92.7127.9175.4-179.80000111.3S10 V11 R78S10-S21 WeakPolarHBondContact CB-OG 3.43Å; S10-S21 PolarHBondContact OG-OG 3.35Å; V11-S21 WeakPolarHBondContact O-CA 3.31Å; S21-R78 PolarHBondContact O-NH2 2.77Å
22L84.6Confident82.8Confident1 Ų154.1 Ų54.11%0.00529%0.294CS..EExtended strand (participates in β ladder)trans-117.7138.5-179.9-70.9169000110.1S10 V11 L13 L26 L27 F30 V35 L74S10-L22 CarbonylContact C-O 3.56Å; S10-L22 WeakPolarHBondContact CA-O 3.5Å; S10-L22 VanDerWaalsContact CB-O 3.31Å; S10-L22 WeakPolarHBondContact CB-O 3.4Å; V11-L22 PolarHBondContact N-O 3.02Å; V11-L22 PolarHBondContact O-N 2.95Å; L13-L22 HydrophobicContact CD1-CD1 3.28Å; L13-L22 HydrophobicContact CD1-CG 4.43Å; L13-L22 HydrophobicContact CG-CD1 3.74Å; L22-L26 HydrophobicContact CD2-CD2 3.64Å; L22-L26 HydrophobicContact CD2-CG 4.46Å; L22-L27 HydrophobicContact CB-CD1 4.24Å; L22-F30 HydrophobicContact CD1-CZ 4.27Å; L22-F30 HydrophobicContact CD2-CE2 4.01Å; L22-F30 HydrophobicContact CD2-CZ 4.13Å; L22-V35 HydrophobicContact CD1-CG1 4.24Å; L22-L74 HydrophobicContact CD2-CD1 3.43Å; L22-L74 VanDerWaalsContact CD2-CD1 3.43Å
23S82.3Confident82.2Confident52 Ų5259.8 Ų59.836%0.36431%0.311SS..EExtended strand (participates in β ladder)trans-71.5148.8169.969.40000110.5E25 L26 L27S23-E25 PolarHBondContact O-N 3.07Å; S23-L26 PolarHBondContact O-N 3.48Å; S23-L26 VanDerWaalsContact OG-CB 3.27Å; S23-L26 WeakPolarHBondContact OG-CB 3.42Å; S23-L26 PolarHBondContact OG-N 3.2Å; S23-L27 PolarHBondContact O-N 3.06Å
24R75.4Confident81.8Confident100 Ų10063.4 Ų63.438%0.37732%0.324SS..THydrogen-bonded Turntrans-66.2-22.1179.1-156.9173-158-83.2-9.3113.1A9 H39A9-R24 PolarHBondContact O-N 3.11Å; R24-H39 PolarHBondContact NH1-CE1 3.18Å
25E75Confident81.3Confident154 Ų15462.6 Ų62.672%0.7232%0.32SS*.THydrogen-bonded Turntrans-71.2-47.2173.3-66.6173.7179.200110.9S23 L27 K28S23-E25 PolarHBondContact O-N 3.07Å; E25-L27 PolarHBondContact O-N 2.89Å; E25-K28 PolarHBondContact O-N 3.45Å
26L75.4Confident80.7Confident42 Ų4264.2 Ų64.222%0.2233%0.331CS..THydrogen-bonded Turntrans-59.7-32.5177.3-173.861.3000111.7L22 S23 K28 F30 V77 R78L22-L26 HydrophobicContact CD2-CD2 3.64Å; L22-L26 HydrophobicContact CD2-CG 4.46Å; S23-L26 PolarHBondContact O-N 3.48Å; S23-L26 VanDerWaalsContact OG-CB 3.27Å; S23-L26 WeakPolarHBondContact OG-CB 3.42Å; S23-L26 PolarHBondContact OG-N 3.2Å; L26-K28 PolarHBondContact O-N 3.27Å; L26-F30 HydrophobicContact CD1-CD2 4.11Å; L26-F30 HydrophobicContact CD1-CE2 4.37Å; L26-F30 HydrophobicContact CD2-CE2 4.08Å; L26-F30 HydrophobicContact CG-CD2 3.72Å; L26-F30 HydrophobicContact CG-CE2 3.8Å; L26-F30 VanDerWaalsContact O-CA 3.32Å; L26-F30 WeakPolarHBondContact O-CA 3.36Å; L26-F30 WeakPolarHBondContact O-CB 3.41Å; L26-F30 WeakPolarHBondContact O-CD2 3.34Å; L26-F30 WeakPolarHBondContact O-CG 3.22Å; L26-F30 PolarHBondContact O-N 3.25Å; L26-F30 VanDerWaalsContact O-N 3.17Å; L26-V77 HydrophobicContact CD1-CG1 4.08Å; L26-R78 HydrophobicContact CD2-CG 3.93Å
27L74.6Confident80.3Confident5 Ų568.2 Ų68.23%0.02633%0.334CS..THydrogen-bonded Turntrans-66.9-26.5175.5-92.6147000114.9V11 L22 S23 E25 V35V11-L27 HydrophobicContact CB-CD1 3.66Å; V11-L27 HydrophobicContact CG1-CD1 4.24Å; V11-L27 HydrophobicContact CG2-CD1 3.53Å; L22-L27 HydrophobicContact CB-CD1 4.24Å; S23-L27 PolarHBondContact O-N 3.06Å; E25-L27 PolarHBondContact O-N 2.89Å; L27-V35 HydrophobicContact CD2-CG1 3.79Å; L27-V35 WeakPolarHBondContact CD2-O 3.49Å
28K69.6Low80Confident130 Ų13066.4 Ų66.457%0.56531%0.312SS*.THydrogen-bonded Turntrans-78.1-44.5-179.2-72.9179.4178.9179.50111.9E25 L26 F30 H39E25-K28 PolarHBondContact O-N 3.45Å; L26-K28 PolarHBondContact O-N 3.27Å; K28-F30 VanDerWaalsContact C-N 3.32Å; K28-H39 WeakPolarHBondContact CE-CE1 3.49Å
29D65.2Low79.2Confident148 Ų14868.3 Ų68.379%0.79132%0.315SS*.SBendtrans-99.522.7-179.3-60.1-36.1000111.8
30F69.5Low78.3Confident11 Ų1163.4 Ų63.45%0.04831%0.314CS..  trans-74.6123.5-173.5-148.5-127.8000110.6L22 L26 K28 L32 V35 L74 V77L22-F30 HydrophobicContact CD1-CZ 4.27Å; L22-F30 HydrophobicContact CD2-CE2 4.01Å; L22-F30 HydrophobicContact CD2-CZ 4.13Å; L26-F30 HydrophobicContact CD1-CD2 4.11Å; L26-F30 HydrophobicContact CD1-CE2 4.37Å; L26-F30 HydrophobicContact CD2-CE2 4.08Å; L26-F30 HydrophobicContact CG-CD2 3.72Å; L26-F30 HydrophobicContact CG-CE2 3.8Å; L26-F30 VanDerWaalsContact O-CA 3.32Å; L26-F30 WeakPolarHBondContact O-CA 3.36Å; L26-F30 WeakPolarHBondContact O-CB 3.41Å; L26-F30 WeakPolarHBondContact O-CD2 3.34Å; L26-F30 WeakPolarHBondContact O-CG 3.22Å; L26-F30 PolarHBondContact O-N 3.25Å; L26-F30 VanDerWaalsContact O-N 3.17Å; K28-F30 VanDerWaalsContact C-N 3.32Å; F30-L32 HydrophobicContact CD1-CB 3.4Å; F30-L32 HydrophobicContact CD1-CD1 4.1Å; F30-L32 HydrophobicContact CD1-CG 3.69Å; F30-L32 HydrophobicContact CE1-CB 3.4Å; F30-L32 VanDerWaalsContact CE1-CB 3.4Å; F30-L32 HydrophobicContact CE1-CD1 3.19Å; F30-L32 HydrophobicContact CE1-CG 3.29Å; F30-L32 HydrophobicContact CG-CB 4.45Å; F30-L32 HydrophobicContact CZ-CB 4.45Å; F30-L32 HydrophobicContact CZ-CD1 3.58Å; F30-L32 HydrophobicContact CZ-CG 3.89Å; F30-L32 PolarHBondContact O-N 3.42Å; F30-V35 HydrophobicContact CD1-CB 3.8Å; F30-V35 HydrophobicContact CD1-CG1 3.95Å; F30-V35 HydrophobicContact CE1-CB 3.66Å; F30-V35 HydrophobicContact CE1-CG1 3.67Å; F30-V35 HydrophobicContact CE1-CG2 4.14Å; F30-L74 HydrophobicContact CZ-CD1 4.37Å; F30-V77 HydrophobicContact CD2-CG1 3.32Å; F30-V77 HydrophobicContact CE2-CB 3.99Å; F30-V77 HydrophobicContact CE2-CG1 3.14Å; F30-V77 HydrophobicContact CE2-CG2 4.49Å; F30-V77 HydrophobicContact CG-CG1 4.29Å; F30-V77 HydrophobicContact CZ-CB 4.46Å; F30-V77 HydrophobicContact CZ-CG1 3.97Å
31P68.9Low78Confident52 Ų5262.2 Ų62.234%0.33831%0.312SS..SBendtrans-66.9-15.3176.428.9-36.7000112.8R33 V77 L103P31-R33 PolarHBondContact O-N 3.15Å; P31-R33 VanDerWaalsContact O-N 3.1Å; P31-V77 HydrophobicContact CG-CB 4.33Å; P31-V77 HydrophobicContact CG-CG1 3.84Å; P31-V77 HydrophobicContact CG-CG2 3.63Å; P31-L103 HydrophobicContact CB-CD2 4.27Å
32L78.3Confident77.4Confident0 Ų069.2 Ų69.20%033%0.329CS..  trans-78.995.3176.3-47.6-171.6000110F30 R34 V35 S36 F70 I73 V77 W101 L103F30-L32 HydrophobicContact CD1-CB 3.4Å; F30-L32 HydrophobicContact CD1-CD1 4.1Å; F30-L32 HydrophobicContact CD1-CG 3.69Å; F30-L32 HydrophobicContact CE1-CB 3.4Å; F30-L32 VanDerWaalsContact CE1-CB 3.4Å; F30-L32 HydrophobicContact CE1-CD1 3.19Å; F30-L32 HydrophobicContact CE1-CG 3.29Å; F30-L32 HydrophobicContact CG-CB 4.45Å; F30-L32 HydrophobicContact CZ-CB 4.45Å; F30-L32 HydrophobicContact CZ-CD1 3.58Å; F30-L32 HydrophobicContact CZ-CG 3.89Å; F30-L32 PolarHBondContact O-N 3.42Å; L32-R34 PolarHBondContact O-N 3.48Å; L32-V35 HydrophobicContact CB-CB 4.3Å; L32-V35 HydrophobicContact CB-CG2 4.34Å; L32-V35 HydrophobicContact CD1-CG2 4.43Å; L32-V35 PolarHBondContact O-N 2.99Å; L32-V35 VanDerWaalsContact O-N 3.15Å; L32-S36 PolarHBondContact O-N 2.62Å; L32-S36 PolarHBondContact O-OG 3.45Å; L32-F70 HydrophobicContact CD1-CE2 3.92Å; L32-I73 HydrophobicContact CD1-CG2 3.63Å; L32-I73 HydrophobicContact CD2-CG2 3.64Å; L32-I73 HydrophobicContact CG-CG2 4.28Å; L32-V77 HydrophobicContact CD2-CG2 4.12Å; L32-V77 HydrophobicContact CG-CG2 4.14Å; L32-W101 CarbonylContact C-O 3.58Å; L32-W101 VanDerWaalsContact C-O 3.32Å; L32-W101 WeakPolarHBondContact CA-O 3.15Å; L32-W101 WeakPolarHBondContact CB-O 3.45Å; L32-W101 HydrophobicContact CD1-CB 4.09Å; L32-W101 HydrophobicContact CD2-CB 4.08Å; L32-W101 HydrophobicContact CG-CB 4.47Å; L32-L103 HydrophobicContact CD2-CD1 3.61Å; L32-L103 HydrophobicContact CD2-CD2 3.67Å; L32-L103 HydrophobicContact CD2-CG 3.39Å
33R77Confident77.2Confident161 Ų16171.1 Ų71.161%0.60834%0.343SS*.Hα-helixtrans-53.6-28.5-178-63.2-175-175.1157.511.4113.9P31 S36 R37 W101 E104P31-R33 PolarHBondContact O-N 3.15Å; P31-R33 VanDerWaalsContact O-N 3.1Å; R33-S36 PolarHBondContact O-OG 3.22Å; R33-R37 WeakPolarHBondContact O-CG 3.49Å; R33-W101 PolarHBondContact N-O 2.56Å; R33-E104 IonicContact CZ-OE1 3.56Å; R33-E104 IonicContact NH1-OE1 2.71Å; R33-E104 IonicContact NH2-OE1 3.31Å; R33-E104 PolarHBondContact NH2-OE1 3.38Å
34R84.6Confident77.2Confident77 Ų7771.5 Ų71.529%0.29134%0.339SS..Hα-helixtrans-74-50.1178.3-177.9178.2-71.4-112.2-1.8111.6L32 R37 V50 Y100 W101L32-R34 PolarHBondContact O-N 3.48Å; R34-R37 WeakPolarHBondContact O-CB 3.4Å; R34-R37 PolarHBondContact O-N 3.5Å; R34-V50 HydrophobicContact CG-CG1 4.07Å; R34-V50 VanDerWaalsContact O-CG1 3.22Å; R34-V50 WeakPolarHBondContact O-CG1 3.21Å; R34-Y100 WeakPolarHBondContact CD-O 3.46Å; R34-Y100 VanDerWaalsContact CZ-CD2 3.46Å; R34-Y100 PolarHBondContact NE-O 3.34Å; R34-Y100 PolarHBondContact NH1-OH 3.1Å; R34-W101 PolarHBondContact N-O 3.43Å
35V84.4Confident77.5Confident0 Ų076 Ų760%036%0.356CS..Hα-helixtrans-72.6-33.1-174.7178.50000111.3L13 L22 L27 F30 L32 R37 L38 W101L13-V35 HydrophobicContact CD1-CG1 3.84Å; L13-V35 HydrophobicContact CD1-CG2 4.41Å; L22-V35 HydrophobicContact CD1-CG1 4.24Å; L27-V35 HydrophobicContact CD2-CG1 3.79Å; L27-V35 WeakPolarHBondContact CD2-O 3.49Å; F30-V35 HydrophobicContact CD1-CB 3.8Å; F30-V35 HydrophobicContact CD1-CG1 3.95Å; F30-V35 HydrophobicContact CE1-CB 3.66Å; F30-V35 HydrophobicContact CE1-CG1 3.67Å; F30-V35 HydrophobicContact CE1-CG2 4.14Å; L32-V35 HydrophobicContact CB-CB 4.3Å; L32-V35 HydrophobicContact CB-CG2 4.34Å; L32-V35 HydrophobicContact CD1-CG2 4.43Å; L32-V35 PolarHBondContact O-N 2.99Å; L32-V35 VanDerWaalsContact O-N 3.15Å; V35-R37 PolarHBondContact O-N 2.73Å; V35-L38 HydrophobicContact CG1-CD1 4.25Å; V35-L38 VanDerWaalsContact O-CB 3.27Å; V35-L38 WeakPolarHBondContact O-CB 3.5Å; V35-L38 WeakPolarHBondContact O-CG 3.39Å; V35-L38 PolarHBondContact O-N 3.34Å; V35-L38 VanDerWaalsContact O-N 3.08Å; V35-W101 HydrophobicContact CG2-CE3 3.61Å; V35-W101 HydrophobicContact CG2-CZ3 3.73Å
36S81.9Confident78Confident34 Ų3471.2 Ų71.224%0.23834%0.335CS..Hα-helixtrans-62.4-25.8175.658.80000113.2L32 R33 L38 H39L32-S36 PolarHBondContact O-N 2.62Å; L32-S36 PolarHBondContact O-OG 3.45Å; R33-S36 PolarHBondContact O-OG 3.22Å; S36-L38 PolarHBondContact O-N 3.48Å; S36-H39 VanDerWaalsContact O-CB 3.27Å; S36-H39 WeakPolarHBondContact O-CB 3.43Å; S36-H39 PolarHBondContact O-N 3.46Å; S36-H39 VanDerWaalsContact O-N 3.08Å
37R83.3Confident78.4Confident125 Ų12569.3 Ų69.347%0.47233%0.326SS..G310 helixtrans-61.5-26.6173.8-69.4175.166.1-158.1-3.6113R33 R34 V35 H39 G40 C41 E49 V50R33-R37 WeakPolarHBondContact O-CG 3.49Å; R34-R37 WeakPolarHBondContact O-CB 3.4Å; R34-R37 PolarHBondContact O-N 3.5Å; V35-R37 PolarHBondContact O-N 2.73Å; R37-H39 PolarHBondContact O-N 3.22Å; R37-G40 PolarHBondContact O-N 3.45Å; R37-C41 PolarHBondContact O-N 3.37Å; R37-C41 PolarHBondContact O-SG 2.72Å; R37-E49 IonicContact NH2-OE2 2.67Å; R37-V50 HydrophobicContact CB-CG1 4.44Å; R37-V50 HydrophobicContact CB-CG2 3.92Å
38L83.2Confident79Confident13 Ų1373.1 Ų73.17%0.06835%0.345CS..G310 helixtrans-59.4-28.1175.7-63.7177.3000111.9L13 V35 S36 G40 C41 V50 Y61 F63L13-L38 HydrophobicContact CD2-CD1 3.88Å; V35-L38 HydrophobicContact CG1-CD1 4.25Å; V35-L38 VanDerWaalsContact O-CB 3.27Å; V35-L38 WeakPolarHBondContact O-CB 3.5Å; V35-L38 WeakPolarHBondContact O-CG 3.39Å; V35-L38 PolarHBondContact O-N 3.34Å; V35-L38 VanDerWaalsContact O-N 3.08Å; S36-L38 PolarHBondContact O-N 3.48Å; L38-G40 VanDerWaalsContact C-N 3.27Å; L38-G40 PolarHBondContact O-N 3.02Å; L38-C41 PolarHBondContact O-N 3.47Å; L38-V50 HydrophobicContact CD2-CB 3.78Å; L38-V50 HydrophobicContact CD2-CG1 3.58Å; L38-V50 HydrophobicContact CD2-CG2 4.45Å; L38-V50 HydrophobicContact CG-CG1 3.91Å; L38-Y61 HydrophobicContact CD1-CD1 4.05Å; L38-Y61 HydrophobicContact CD1-CE1 4.45Å; L38-Y61 HydrophobicContact CD1-CG 4.14Å; L38-Y61 HydrophobicContact CD2-CD1 3.73Å; L38-Y61 HydrophobicContact CD2-CE1 3.87Å; L38-Y61 HydrophobicContact CG-CD1 4.48Å; L38-F63 HydrophobicContact CD1-CZ 4.28Å
39H77.3Confident79.8Confident69 Ų6972.5 Ų72.532%0.31934%0.344SS..G310 helixtrans-63.8-32.7176.2-167.478.7000113.2R24 K28 S36 R37R24-H39 PolarHBondContact NH1-CE1 3.18Å; K28-H39 WeakPolarHBondContact CE-CE1 3.49Å; S36-H39 VanDerWaalsContact O-CB 3.27Å; S36-H39 WeakPolarHBondContact O-CB 3.43Å; S36-H39 PolarHBondContact O-N 3.46Å; S36-H39 VanDerWaalsContact O-N 3.08Å; R37-H39 PolarHBondContact O-N 3.22Å
40G75Confident80.7Confident55 Ų5565.6 Ų65.657%0.56731%0.308SS*.G310 helixtrans-92.2-6.7-175.600000114.7R37 L38R37-G40 PolarHBondContact O-N 3.45Å; L38-G40 VanDerWaalsContact C-N 3.27Å; L38-G40 PolarHBondContact O-N 3.02Å
41C82.8Confident81.7Confident19 Ų1965.3 Ų65.313%0.12831%0.307CS..  trans-69.8130.6-177.4-65.90000110.9R37 L38 D46 V47R37-C41 PolarHBondContact O-N 3.37Å; R37-C41 PolarHBondContact O-SG 2.72Å; L38-C41 PolarHBondContact O-N 3.47Å; C41-D46 HydrophobicContact CB-CB 3.88Å; C41-D46 PolarHBondContact SG-O 2.76Å; C41-V47 HydrophobicContact CB-CG2 3.72Å
42R76.8Confident82.7Confident205 Ų20567 Ų6777%0.77431%0.314SS*.  trans-114.2-21.5-177.8-62.7-175.6-179.5-160.50.6112.6F3 D46F3-R42 WeakPolarHBondContact CD2-O 3.41Å; R42-D46 PolarHBondContact N-OD2 3.49Å
43S81.4Confident83.2Confident41 Ų4171.8 Ų71.829%0.28734%0.339SS..SBendtrans-123.4157.9176.584.80000111.3R45 D46 V47S43-R45 PolarHBondContact O-N 2.9Å; S43-R45 WeakPolarHBondContact OG-CB 3.27Å; S43-R45 PolarHBondContact OG-N 3.47Å; S43-D46 PolarHBondContact N-OD2 2.91Å; S43-D46 WeakPolarHBondContact O-CB 3.38Å; S43-D46 PolarHBondContact O-N 3.26Å; S43-D46 VanDerWaalsContact O-N 3.1Å; S43-D46 PolarHBondContact OG-N 2.99Å; S43-D46 VanDerWaalsContact OG-N 3.12Å; S43-D46 PolarHBondContact OG-OD1 2.72Å; S43-D46 PolarHBondContact OG-OD2 3.47Å; S43-V47 PolarHBondContact O-N 2.91Å
44E81.6Confident83.8Confident61 Ų6164.9 Ų64.929%0.28531%0.313SS..Hα-helixtrans-60-32.2171.5177174.3-115.300112.2F3 D46 V47 L48 R56F3-E44 HydrophobicContact CE1-CB 4.36Å; F3-E44 HydrophobicContact CZ-CB 4.25Å; E44-D46 VanDerWaalsContact C-N 3.3Å; E44-D46 PolarHBondContact O-N 2.99Å; E44-V47 WeakPolarHBondContact O-CB 3.27Å; E44-V47 PolarHBondContact O-N 3.48Å; E44-V47 VanDerWaalsContact O-N 3.15Å; E44-L48 HydrophobicContact CG-CD1 4.12Å; E44-L48 HydrophobicContact CG-CG 4.42Å; E44-L48 WeakPolarHBondContact O-CG 3.29Å; E44-L48 PolarHBondContact O-N 3.29Å; E44-R56 VanDerWaalsContact CD-NE 3.34Å; E44-R56 IonicContact OE1-CZ 3.33Å; E44-R56 IonicContact OE1-NE 3.5Å; E44-R56 PolarHBondContact OE1-NE 3.24Å; E44-R56 IonicContact OE1-NH2 2.62Å; E44-R56 PolarHBondContact OE1-NH2 3.08Å; E44-R56 IonicContact OE2-CZ 3.81Å; E44-R56 IonicContact OE2-NE 3.46Å; E44-R56 PolarHBondContact OE2-NE 2.73Å; E44-R56 IonicContact OE2-NH2 3.41Å; E44-R56 PolarHBondContact OE2-NH2 3.11Å
45R82.5Confident84Confident194 Ų19463.9 Ų63.973%0.73231%0.313SS*.Hα-helixtrans-61.5-40.4174-174.8179.6176.6174.30.7111.5S43 V47 L48 E49S43-R45 PolarHBondContact O-N 2.9Å; S43-R45 WeakPolarHBondContact OG-CB 3.27Å; S43-R45 PolarHBondContact OG-N 3.47Å; R45-V47 VanDerWaalsContact C-N 3.28Å; R45-V47 PolarHBondContact O-N 3.39Å; R45-L48 PolarHBondContact O-N 3.35Å; R45-E49 PolarHBondContact O-N 3.23Å
46D84.6Confident83.9Confident54 Ų5470.3 Ų70.329%0.28934%0.338SS..Hα-helixtrans-66.1-34.3176.9-47.4-16.4000111.1C41 R42 S43 E44 E49C41-D46 HydrophobicContact CB-CB 3.88Å; C41-D46 PolarHBondContact SG-O 2.76Å; R42-D46 PolarHBondContact N-OD2 3.49Å; S43-D46 PolarHBondContact N-OD2 2.91Å; S43-D46 WeakPolarHBondContact O-CB 3.38Å; S43-D46 PolarHBondContact O-N 3.26Å; S43-D46 VanDerWaalsContact O-N 3.1Å; S43-D46 PolarHBondContact OG-N 2.99Å; S43-D46 VanDerWaalsContact OG-N 3.12Å; S43-D46 PolarHBondContact OG-OD1 2.72Å; S43-D46 PolarHBondContact OG-OD2 3.47Å; E44-D46 VanDerWaalsContact C-N 3.3Å; E44-D46 PolarHBondContact O-N 2.99Å; D46-E49 PolarHBondContact O-N 3.01Å
47V84.8Confident83.9Confident2 Ų277.7 Ų77.71%0.01237%0.368CS..Hα-helixtrans-67.3-45.5177.7171.60000110.8C41 S43 E44 R45 E49 V50 C51 Y54 Y61C41-V47 HydrophobicContact CB-CG2 3.72Å; S43-V47 PolarHBondContact O-N 2.91Å; E44-V47 WeakPolarHBondContact O-CB 3.27Å; E44-V47 PolarHBondContact O-N 3.48Å; E44-V47 VanDerWaalsContact O-N 3.15Å; R45-V47 VanDerWaalsContact C-N 3.28Å; R45-V47 PolarHBondContact O-N 3.39Å; V47-E49 PolarHBondContact O-N 2.92Å; V47-V50 WeakPolarHBondContact O-CA 3.48Å; V47-V50 WeakPolarHBondContact O-CB 3.18Å; V47-V50 PolarHBondContact O-N 3.44Å; V47-C51 WeakPolarHBondContact CG1-SG 3.35Å; V47-C51 PolarHBondContact O-N 2.82Å; V47-C51 PolarHBondContact O-SG 3.43Å; V47-C51 VanDerWaalsContact O-SG 3.35Å; V47-Y54 HydrophobicContact CG1-CD1 4.2Å; V47-Y54 HydrophobicContact CG1-CD2 4.12Å; V47-Y54 HydrophobicContact CG1-CG 3.76Å; V47-Y61 HydrophobicContact CB-CE1 4.41Å; V47-Y61 HydrophobicContact CG1-CD1 3.55Å; V47-Y61 HydrophobicContact CG1-CE1 3.45Å; V47-Y61 VanDerWaalsContact CG1-CE1 3.45Å; V47-Y61 HydrophobicContact CG2-CE1 4.06Å
48L87Confident83.8Confident84 Ų8479.4 Ų79.444%0.4438%0.375SS..Hα-helixtrans-70-11.6179-65.9173000113.7E44 R45 V50 C51E44-L48 HydrophobicContact CG-CD1 4.12Å; E44-L48 HydrophobicContact CG-CG 4.42Å; E44-L48 WeakPolarHBondContact O-CG 3.29Å; E44-L48 PolarHBondContact O-N 3.29Å; R45-L48 PolarHBondContact O-N 3.35Å; L48-V50 VanDerWaalsContact C-N 3.26Å; L48-C51 CarbonylContact C-O 3.57Å
49E85.8Confident83.8Confident117 Ų11780.9 Ų80.955%0.54738%0.383SS..THydrogen-bonded Turntrans-76.9-14.8166.7-72.4-174.1-179.500113.1R37 R45 D46 V47R37-E49 IonicContact NH2-OE2 2.67Å; R45-E49 PolarHBondContact O-N 3.23Å; D46-E49 PolarHBondContact O-N 3.01Å; V47-E49 PolarHBondContact O-N 2.92Å
50V84.9Confident84.4Confident4 Ų478.3 Ų78.32%0.02437%0.371CS..THydrogen-bonded Turntrans-109.3-41.4-174.4-177.70000111.6R34 R37 L38 V47 L48 F63R34-V50 HydrophobicContact CG-CG1 4.07Å; R34-V50 VanDerWaalsContact O-CG1 3.22Å; R34-V50 WeakPolarHBondContact O-CG1 3.21Å; R37-V50 HydrophobicContact CB-CG1 4.44Å; R37-V50 HydrophobicContact CB-CG2 3.92Å; L38-V50 HydrophobicContact CD2-CB 3.78Å; L38-V50 HydrophobicContact CD2-CG1 3.58Å; L38-V50 HydrophobicContact CD2-CG2 4.45Å; L38-V50 HydrophobicContact CG-CG1 3.91Å; V47-V50 WeakPolarHBondContact O-CA 3.48Å; V47-V50 WeakPolarHBondContact O-CB 3.18Å; V47-V50 PolarHBondContact O-N 3.44Å; L48-V50 VanDerWaalsContact C-N 3.26Å; V50-F63 WeakPolarHBondContact O-CE1 3.47Å
51C88.8Confident85.2Confident5 Ų576.4 Ų76.43%0.03435%0.346CS..SBendtrans-120.3161.4-179.269.60000111.9V47 L48 D53 F62 F63V47-C51 WeakPolarHBondContact CG1-SG 3.35Å; V47-C51 PolarHBondContact O-N 2.82Å; V47-C51 PolarHBondContact O-SG 3.43Å; V47-C51 VanDerWaalsContact O-SG 3.35Å; L48-C51 CarbonylContact C-O 3.57Å; C51-D53 PolarHBondContact SG-O 3.06Å; C51-F62 WeakPolarHBondContact CB-O 3.44Å; C51-F63 HydrophobicContact CB-CD1 4.15Å; C51-F63 HydrophobicContact CB-CD2 4.36Å; C51-F63 HydrophobicContact CB-CE1 3.67Å; C51-F63 HydrophobicContact CB-CE2 3.86Å; C51-F63 HydrophobicContact CB-CG 4.48Å; C51-F63 HydrophobicContact CB-CZ 3.51Å
52D89.9Confident85.7Confident88 Ų8878.4 Ų78.447%0.47135%0.353SS..SBendtrans-79.2-30.6-173.5-59.7-63.6000112F62 F63 D64D52-F62 HydrophobicContact CB-CD1 4.25Å; D52-F62 PolarHBondContact N-O 3.45Å; D52-F63 VanDerWaalsContact OD2-CA 3.31Å; D52-F63 WeakPolarHBondContact OD2-CA 3.39Å; D52-D64 PolarHBondContact OD2-N 3.19Å
53D90.3Very high86.6Confident99 Ų9968.6 Ų68.653%0.52932%0.316SS..EExtended strand (participates in β ladder)trans-151.2160.1173.8-159.40.7000111.2C51 F62C51-D53 PolarHBondContact SG-O 3.06Å; D53-F62 HydrophobicContact CB-CB 3.93Å; D53-F62 HydrophobicContact CB-CD1 4.02Å; D53-F62 HydrophobicContact CB-CG 4.41Å; D53-F62 PolarHBondContact N-O 3.45Å; D53-F62 PolarHBondContact O-N 2.96Å
54Y89.6Confident87.1Confident17 Ų1772.3 Ų72.37%0.06733%0.333CS..EExtended strand (participates in β ladder)trans-141.2114.4178.9177.1-121.5000112.1F3 V47 R56 N59 E60 Y61F3-Y54 HydrophobicContact CD1-CE1 4.15Å; F3-Y54 HydrophobicContact CE1-CE1 4.17Å; V47-Y54 HydrophobicContact CG1-CD1 4.2Å; V47-Y54 HydrophobicContact CG1-CD2 4.12Å; V47-Y54 HydrophobicContact CG1-CG 3.76Å; Y54-R56 HydrophobicContact CD1-CG 3.93Å; Y54-R56 HydrophobicContact CE1-CB 4.49Å; Y54-R56 HydrophobicContact CE1-CG 3.67Å; Y54-R56 PolarHBondContact O-N 3.08Å; Y54-N59 PolarHBondContact OH-OD1 2.85Å; Y54-E60 WeakPolarHBondContact CD2-O 3.41Å; Y54-Y61 AromaticContact CD2-CD1 3.65Å; Y54-Y61 HydrophobicContact CD2-CD1 3.65Å; Y54-Y61 HydrophobicContact CD2-CD2 4.29Å; Y54-Y61 AromaticContact CD2-CE1 3.67Å; Y54-Y61 HydrophobicContact CD2-CE1 3.67Å; Y54-Y61 HydrophobicContact CD2-CE2 4.27Å; Y54-Y61 AromaticContact CD2-CG 3.98Å; Y54-Y61 HydrophobicContact CD2-CG 3.98Å; Y54-Y61 AromaticContact CD2-CZ 3.98Å; Y54-Y61 HydrophobicContact CE2-CD1 4.03Å; Y54-Y61 HydrophobicContact CE2-CD2 4.15Å; Y54-Y61 AromaticContact CE2-CE1 3.64Å; Y54-Y61 HydrophobicContact CE2-CE1 3.64Å; Y54-Y61 AromaticContact CE2-CE2 3.73Å; Y54-Y61 HydrophobicContact CE2-CE2 3.73Å; Y54-Y61 HydrophobicContact CE2-CG 4.28Å; Y54-Y61 AromaticContact CE2-CZ 3.46Å; Y54-Y61 VanDerWaalsContact CE2-CZ 3.46Å; Y54-Y61 HydrophobicContact CG-CD1 4.49Å; Y54-Y61 HydrophobicContact CG-CE1 4.49Å
55D87.8Confident87.7Confident56 Ų5672.5 Ų72.530%0.29933%0.331SS..EExtended strand (participates in β ladder)trans-86.5108.5173.8-176.8-21.9000109.6E57 R58 N59 E60D55-E57 WeakPolarHBondContact OD1-CB 3.41Å; D55-E57 PolarHBondContact OD1-N 2.73Å; D55-R58 HydrophobicContact CB-CB 4.35Å; D55-R58 PolarHBondContact OD1-N 3.06Å; D55-R58 VanDerWaalsContact OD2-CD 3.27Å; D55-R58 WeakPolarHBondContact OD2-CD 3.08Å; D55-R58 WeakPolarHBondContact OD2-CG 3.48Å; D55-R58 IonicContact OD2-NE 2.88Å; D55-N59 CarbonylContact O-C 3.5Å; D55-N59 WeakPolarHBondContact O-CA 3.41Å; D55-N59 PolarHBondContact O-N 3.25Å; D55-E60 HydrophobicContact CB-CB 4.3Å; D55-E60 PolarHBondContact N-O 3.15Å; D55-E60 PolarHBondContact O-N 3.33Å
56R82.6Confident88.2Confident135 Ų13567.1 Ų67.151%0.50931%0.314SS..THydrogen-bonded Turntrans-67.8-34.1178.7-72.5-176.6173-165.31.9113.8F3 E44 Y54F3-R56 HydrophobicContact CE1-CG 4.48Å; F3-R56 VanDerWaalsContact CZ-CZ 3.49Å; F3-R56 VanDerWaalsContact CZ-NH2 3.32Å; E44-R56 VanDerWaalsContact CD-NE 3.34Å; E44-R56 IonicContact OE1-CZ 3.33Å; E44-R56 IonicContact OE1-NE 3.5Å; E44-R56 PolarHBondContact OE1-NE 3.24Å; E44-R56 IonicContact OE1-NH2 2.62Å; E44-R56 PolarHBondContact OE1-NH2 3.08Å; E44-R56 IonicContact OE2-CZ 3.81Å; E44-R56 IonicContact OE2-NE 3.46Å; E44-R56 PolarHBondContact OE2-NE 2.73Å; E44-R56 IonicContact OE2-NH2 3.41Å; E44-R56 PolarHBondContact OE2-NH2 3.11Å; Y54-R56 HydrophobicContact CD1-CG 3.93Å; Y54-R56 HydrophobicContact CE1-CB 4.49Å; Y54-R56 HydrophobicContact CE1-CG 3.67Å; Y54-R56 PolarHBondContact O-N 3.08Å
57E82.9Confident88.6Confident188 Ų18866.4 Ų66.488%0.87931%0.313SS*.THydrogen-bonded Turntrans-71.9-39.2-177-63.2-172.4170.600110.4D55D55-E57 WeakPolarHBondContact OD1-CB 3.41Å; D55-E57 PolarHBondContact OD1-N 2.73Å
58R81.3Confident88.9Confident162 Ų16270.6 Ų70.661%0.61133%0.333SS*.THydrogen-bonded Turntrans-93.3-9178.7-61.1-174.8176.7-177.9-0.1114D55 E60D55-R58 HydrophobicContact CB-CB 4.35Å; D55-R58 PolarHBondContact OD1-N 3.06Å; D55-R58 VanDerWaalsContact OD2-CD 3.27Å; D55-R58 WeakPolarHBondContact OD2-CD 3.08Å; D55-R58 WeakPolarHBondContact OD2-CG 3.48Å; D55-R58 IonicContact OD2-NE 2.88Å; R58-E60 HydrophobicContact CB-CB 4.06Å; R58-E60 PolarHBondContact O-N 3.3Å
59N83.3Confident89.1Confident43 Ų4366.6 Ų66.623%0.2331%0.312CS..THydrogen-bonded Turntrans49.747.7-171.8-171.443.5000111.6Y54 D55Y54-N59 PolarHBondContact OH-OD1 2.85Å; D55-N59 CarbonylContact O-C 3.5Å; D55-N59 WeakPolarHBondContact O-CA 3.41Å; D55-N59 PolarHBondContact O-N 3.25Å
60E89.1Confident89.5Confident15 Ų1561 Ų617%0.0729%0.286CS..EExtended strand (participates in β ladder)trans-113.8126.4-173.2178.5175.8-163.200109.6V12 N14 R19 Y54 D55 R58V12-E60 HydrophobicContact CG1-CG 4.19Å; N14-E60 HydrophobicContact CB-CG 3.82Å; N14-E60 VanDerWaalsContact CB-OE1 3.22Å; N14-E60 WeakPolarHBondContact CB-OE1 3.42Å; N14-E60 PolarHBondContact ND2-OE1 3.32Å; R19-E60 WeakPolarHBondContact CD-OE1 3.28Å; R19-E60 IonicContact CZ-OE1 2.72Å; R19-E60 IonicContact NE-OE1 3.26Å; R19-E60 PolarHBondContact NE-OE1 2.87Å; R19-E60 IonicContact NE-OE2 2.7Å; R19-E60 IonicContact NH2-OE1 3.37Å; Y54-E60 WeakPolarHBondContact CD2-O 3.41Å; D55-E60 HydrophobicContact CB-CB 4.3Å; D55-E60 PolarHBondContact N-O 3.15Å; D55-E60 PolarHBondContact O-N 3.33Å; R58-E60 HydrophobicContact CB-CB 4.06Å; R58-E60 PolarHBondContact O-N 3.3Å
61Y91.9Very high89.8Confident15 Ų1561.5 Ų61.56%0.05929%0.291CS..EExtended strand (participates in β ladder)trans-100.3119.9-179.8-60-99.8000109.5V11 V12 L13 N14 L38 V47 Y54V11-Y61 HydrophobicContact CG1-CD2 3.67Å; V11-Y61 HydrophobicContact CG1-CE2 3.58Å; V12-Y61 PolarHBondContact O-N 3.46Å; L13-Y61 CarbonylContact C-O 3.6Å; L13-Y61 WeakPolarHBondContact CA-O 3.35Å; L13-Y61 HydrophobicContact CD2-CD2 4.32Å; L13-Y61 HydrophobicContact CD2-CG 4.37Å; N14-Y61 PolarHBondContact N-O 3.4Å; L38-Y61 HydrophobicContact CD1-CD1 4.05Å; L38-Y61 HydrophobicContact CD1-CE1 4.45Å; L38-Y61 HydrophobicContact CD1-CG 4.14Å; L38-Y61 HydrophobicContact CD2-CD1 3.73Å; L38-Y61 HydrophobicContact CD2-CE1 3.87Å; L38-Y61 HydrophobicContact CG-CD1 4.48Å; V47-Y61 HydrophobicContact CB-CE1 4.41Å; V47-Y61 HydrophobicContact CG1-CD1 3.55Å; V47-Y61 HydrophobicContact CG1-CE1 3.45Å; V47-Y61 VanDerWaalsContact CG1-CE1 3.45Å; V47-Y61 HydrophobicContact CG2-CE1 4.06Å; Y54-Y61 AromaticContact CD2-CD1 3.65Å; Y54-Y61 HydrophobicContact CD2-CD1 3.65Å; Y54-Y61 HydrophobicContact CD2-CD2 4.29Å; Y54-Y61 AromaticContact CD2-CE1 3.67Å; Y54-Y61 HydrophobicContact CD2-CE1 3.67Å; Y54-Y61 HydrophobicContact CD2-CE2 4.27Å; Y54-Y61 AromaticContact CD2-CG 3.98Å; Y54-Y61 HydrophobicContact CD2-CG 3.98Å; Y54-Y61 AromaticContact CD2-CZ 3.98Å; Y54-Y61 HydrophobicContact CE2-CD1 4.03Å; Y54-Y61 HydrophobicContact CE2-CD2 4.15Å; Y54-Y61 AromaticContact CE2-CE1 3.64Å; Y54-Y61 HydrophobicContact CE2-CE1 3.64Å; Y54-Y61 AromaticContact CE2-CE2 3.73Å; Y54-Y61 HydrophobicContact CE2-CE2 3.73Å; Y54-Y61 HydrophobicContact CE2-CG 4.28Å; Y54-Y61 AromaticContact CE2-CZ 3.46Å; Y54-Y61 VanDerWaalsContact CE2-CZ 3.46Å; Y54-Y61 HydrophobicContact CG-CD1 4.49Å; Y54-Y61 HydrophobicContact CG-CE1 4.49Å
62F93.8Very high89.8Confident61 Ų6164.3 Ų64.327%0.26830%0.303SS..EExtended strand (participates in β ladder)trans-97.8136.1-175.9-179.8-106.4000112.5N14 C51 D52 D53 D64N14-F62 HydrophobicContact CB-CD2 4.01Å; N14-F62 CarbonylContact O-C 3.58Å; N14-F62 WeakPolarHBondContact O-CA 3.47Å; C51-F62 WeakPolarHBondContact CB-O 3.44Å; D52-F62 HydrophobicContact CB-CD1 4.25Å; D52-F62 PolarHBondContact N-O 3.45Å; D53-F62 HydrophobicContact CB-CB 3.93Å; D53-F62 HydrophobicContact CB-CD1 4.02Å; D53-F62 HydrophobicContact CB-CG 4.41Å; D53-F62 PolarHBondContact N-O 3.45Å; D53-F62 PolarHBondContact O-N 2.96Å; F62-D64 HydrophobicContact CE1-CB 3.92Å; F62-D64 HydrophobicContact CZ-CB 4.25Å
63F94.3Very high89.9Confident0 Ų060.1 Ų60.10%028%0.281CS..EExtended strand (participates in β ladder)trans-128.6120.3175-63-95.1000109.2L13 N14 V15 G16 L38 V50 C51 D52 R65 Y100 W101L13-F63 HydrophobicContact CD2-CE2 4.05Å; N14-F63 PolarHBondContact O-N 3.45Å; V15-F63 WeakPolarHBondContact CA-O 3.37Å; V15-F63 HydrophobicContact CG1-CB 4.47Å; V15-F63 HydrophobicContact CG2-CB 4.29Å; V15-F63 HydrophobicContact CG2-CD2 4.37Å; G16-F63 PolarHBondContact N-O 3.15Å; L38-F63 HydrophobicContact CD1-CZ 4.28Å; V50-F63 WeakPolarHBondContact O-CE1 3.47Å; C51-F63 HydrophobicContact CB-CD1 4.15Å; C51-F63 HydrophobicContact CB-CD2 4.36Å; C51-F63 HydrophobicContact CB-CE1 3.67Å; C51-F63 HydrophobicContact CB-CE2 3.86Å; C51-F63 HydrophobicContact CB-CG 4.48Å; C51-F63 HydrophobicContact CB-CZ 3.51Å; D52-F63 VanDerWaalsContact OD2-CA 3.31Å; D52-F63 WeakPolarHBondContact OD2-CA 3.39Å; F63-R65 HydrophobicContact CB-CG 4.19Å; F63-R65 PolarHBondContact O-N 2.89Å; F63-Y100 HydrophobicContact CD1-CE1 4.3Å; F63-W101 HydrophobicContact CB-CH2 3.75Å; F63-W101 HydrophobicContact CB-CZ2 4.49Å; F63-W101 AromaticContact CD1-CH2 3.72Å; F63-W101 HydrophobicContact CD1-CH2 3.72Å; F63-W101 AromaticContact CD1-CZ3 3.78Å; F63-W101 HydrophobicContact CD1-CZ3 3.78Å; F63-W101 HydrophobicContact CD2-CH2 4.11Å; F63-W101 HydrophobicContact CD2-CZ3 4.37Å; F63-W101 HydrophobicContact CE1-CH2 4.32Å; F63-W101 AromaticContact CE1-CZ3 3.92Å; F63-W101 HydrophobicContact CE1-CZ3 3.92Å; F63-W101 AromaticContact CG-CH2 3.58Å; F63-W101 HydrophobicContact CG-CH2 3.58Å; F63-W101 HydrophobicContact CG-CZ3 4.01Å; F63-W101 HydrophobicContact CZ-CZ3 4.3Å
64D93.4Very high89.8Confident119 Ų11955.5 Ų55.564%0.63626%0.256SS*.  trans-80.468.3178.2-170.620.2000110.8D52 F62D52-D64 PolarHBondContact OD2-N 3.19Å; F62-D64 HydrophobicContact CE1-CB 3.92Å; F62-D64 HydrophobicContact CZ-CB 4.25Å
65R93.2Very high89.7Confident64 Ų6458.7 Ų58.724%0.24227%0.274CS..SBendtrans-137.9169.7-170.9-58.6-62.2-63.3-139.22.6112.4V15 G16 F63 S67 E97 Y100 W101V15-R65 HydrophobicContact CG1-CB 3.88Å; G16-R65 VanDerWaalsContact CA-O 3.27Å; G16-R65 WeakPolarHBondContact CA-O 3.4Å; G16-R65 PolarHBondContact N-O 3.35Å; F63-R65 HydrophobicContact CB-CG 4.19Å; F63-R65 PolarHBondContact O-N 2.89Å; R65-S67 PolarHBondContact O-N 3.23Å; R65-S67 VanDerWaalsContact O-N 3.07Å; R65-E97 IonicContact CZ-OE1 3Å; R65-E97 IonicContact CZ-OE2 2.94Å; R65-E97 IonicContact NE-OE1 2.82Å; R65-E97 PolarHBondContact NE-OE1 3.21Å; R65-E97 VanDerWaalsContact NE-OE1 3.15Å; R65-E97 IonicContact NE-OE2 2.94Å; R65-E97 PolarHBondContact NE-OE2 3.21Å; R65-E97 VanDerWaalsContact NH2-CD 3.28Å; R65-E97 IonicContact NH2-OE1 2.86Å; R65-E97 PolarHBondContact NH2-OE1 3.25Å; R65-E97 IonicContact NH2-OE2 2.81Å; R65-E97 PolarHBondContact NH2-OE2 3.25Å; R65-Y100 HydrophobicContact CG-CD1 4.12Å; R65-Y100 HydrophobicContact CG-CE1 3.55Å; R65-Y100 VanDerWaalsContact CZ-CD2 3.48Å; R65-Y100 VanDerWaalsContact NH2-CB 3.34Å; R65-W101 HydrophobicContact CB-CZ2 3.94Å; R65-W101 HydrophobicContact CG-CZ2 4.11Å
66H92.1Very high89.7Confident81 Ų8158.9 Ų58.938%0.37527%0.271SS..  trans-69.6106.8-177.4-161-61.9000111.9E68 A69 F70 M89 E97H66-E68 IonicContact CE1-OE2 2.76Å; H66-E68 PolarHBondContact ND1-N 3.41Å; H66-E68 PolarHBondContact O-N 3.32Å; H66-A69 HydrophobicContact CB-CB 4.12Å; H66-A69 PolarHBondContact ND1-N 2.96Å; H66-A69 PolarHBondContact O-N 3.4Å; H66-F70 PolarHBondContact O-N 3.36Å; H66-M89 HydrophobicContact CB-CE 4.26Å; H66-E97 HydrophobicContact CB-CG 4.32Å
67S92.9Very high89.6Confident39 Ų3953.3 Ų53.327%0.27325%0.252SS..Hα-helixtrans-55.4-49.3-176.758.60000113.5V15 Y20 R65 A69 F70 G71V15-S67 WeakPolarHBondContact O-CB 3.46Å; Y20-S67 PolarHBondContact OH-O 3.01Å; R65-S67 PolarHBondContact O-N 3.23Å; R65-S67 VanDerWaalsContact O-N 3.07Å; S67-A69 PolarHBondContact O-N 2.84Å; S67-F70 PolarHBondContact O-N 3.39Å; S67-G71 PolarHBondContact O-N 2.73Å
68E91.4Very high89.7Confident91 Ų9149.8 Ų49.843%0.42523%0.23SC..Hα-helixtrans-61-43.2-177.8-167.7176.3-170.900112.3H66 F70 G71 F72H66-E68 IonicContact CE1-OE2 2.76Å; H66-E68 PolarHBondContact ND1-N 3.41Å; H66-E68 PolarHBondContact O-N 3.32Å; E68-F70 VanDerWaalsContact C-N 3.33Å; E68-F70 PolarHBondContact O-N 2.91Å; E68-G71 WeakPolarHBondContact O-CA 3.35Å; E68-G71 PolarHBondContact O-N 3.42Å; E68-G71 VanDerWaalsContact O-N 3.07Å; E68-F72 HydrophobicContact CG-CD2 4.39Å; E68-F72 HydrophobicContact CG-CE2 4.07Å; E68-F72 WeakPolarHBondContact O-CD2 3.31Å; E68-F72 PolarHBondContact O-N 3.01Å
69A92.4Very high89.2Confident0 Ų045.2 Ų45.20%023%0.234CC..Hα-helixtrans-60.5-44.217800000111.4H66 S67 G71 F72 I73 M89 F94 E97H66-A69 HydrophobicContact CB-CB 4.12Å; H66-A69 PolarHBondContact ND1-N 2.96Å; H66-A69 PolarHBondContact O-N 3.4Å; S67-A69 PolarHBondContact O-N 2.84Å; A69-G71 VanDerWaalsContact C-N 3.28Å; A69-G71 PolarHBondContact O-N 2.94Å; A69-F72 PolarHBondContact O-N 2.99Å; A69-I73 WeakPolarHBondContact O-CG1 3.47Å; A69-I73 PolarHBondContact O-N 3.23Å; A69-I73 VanDerWaalsContact O-N 3.09Å; A69-M89 HydrophobicContact CB-CE 4.01Å; A69-M89 HydrophobicContact CB-SD 3.69Å; A69-F94 HydrophobicContact CB-CD2 4Å; A69-F94 HydrophobicContact CB-CE2 4.11Å; A69-E97 HydrophobicContact CB-CB 4.03Å; A69-E97 HydrophobicContact CB-CG 3.77Å
70F92.8Very high88.3Confident0 Ų050.4 Ų50.40%026%0.256CS..Hα-helixtrans-63-35175.3-173.8-107.7000112.3L13 V15 Y20 L32 H66 S67 E68 F72 I73 L74 W101L13-F70 HydrophobicContact CD1-CE1 4.19Å; L13-F70 HydrophobicContact CD1-CZ 3.71Å; V15-F70 HydrophobicContact CB-CB 4.36Å; V15-F70 HydrophobicContact CB-CD1 4.1Å; V15-F70 HydrophobicContact CB-CG 4.33Å; V15-F70 HydrophobicContact CG1-CB 3.88Å; V15-F70 HydrophobicContact CG1-CD1 4.46Å; V15-F70 HydrophobicContact CG1-CG 4.2Å; V15-F70 HydrophobicContact CG2-CB 4.44Å; V15-F70 HydrophobicContact CG2-CD1 3.51Å; V15-F70 HydrophobicContact CG2-CD2 4.49Å; V15-F70 HydrophobicContact CG2-CE1 3.78Å; V15-F70 HydrophobicContact CG2-CG 3.89Å; V15-F70 HydrophobicContact CG2-CZ 4.38Å; Y20-F70 AromaticContact CD2-CD1 3.6Å; Y20-F70 HydrophobicContact CD2-CD1 3.6Å; Y20-F70 AromaticContact CD2-CE1 3.78Å; Y20-F70 HydrophobicContact CD2-CE1 3.78Å; Y20-F70 AromaticContact CE2-CD1 3.69Å; Y20-F70 HydrophobicContact CE2-CD1 3.69Å; Y20-F70 HydrophobicContact CE2-CE1 4.35Å; Y20-F70 HydrophobicContact CG-CD1 4.03Å; Y20-F70 AromaticContact CG-CE1 3.91Å; Y20-F70 HydrophobicContact CG-CE1 3.91Å; L32-F70 HydrophobicContact CD1-CE2 3.92Å; H66-F70 PolarHBondContact O-N 3.36Å; S67-F70 PolarHBondContact O-N 3.39Å; E68-F70 VanDerWaalsContact C-N 3.33Å; E68-F70 PolarHBondContact O-N 2.91Å; F70-F72 PolarHBondContact O-N 3.43Å; F70-I73 PolarHBondContact O-N 2.9Å; F70-L74 HydrophobicContact CE1-CD2 4.38Å; F70-L74 VanDerWaalsContact O-CB 3.24Å; F70-L74 WeakPolarHBondContact O-CB 3.42Å; F70-L74 PolarHBondContact O-N 2.79Å; F70-W101 HydrophobicContact CB-CZ2 4.25Å; F70-W101 AromaticContact CD2-CD2 3.59Å; F70-W101 HydrophobicContact CD2-CD2 3.59Å; F70-W101 AromaticContact CD2-CE2 3.35Å; F70-W101 AromaticContact CD2-CE3 3.97Å; F70-W101 HydrophobicContact CD2-CE3 3.97Å; F70-W101 HydrophobicContact CD2-CG 4.14Å; F70-W101 AromaticContact CD2-CH2 3.87Å; F70-W101 HydrophobicContact CD2-CH2 3.87Å; F70-W101 AromaticContact CD2-CZ2 3.52Å; F70-W101 HydrophobicContact CD2-CZ2 3.52Å; F70-W101 HydrophobicContact CD2-CZ3 4.1Å; F70-W101 AromaticContact CD2-NE1 3.78Å; F70-W101 AromaticContact CE2-CD2 3.78Å; F70-W101 HydrophobicContact CE2-CD2 3.78Å; F70-W101 AromaticContact CE2-CE2 3.97Å; F70-W101 AromaticContact CE2-CE3 3.7Å; F70-W101 HydrophobicContact CE2-CE3 3.7Å; F70-W101 HydrophobicContact CE2-CG 4.44Å; F70-W101 AromaticContact CE2-CH2 3.97Å; F70-W101 HydrophobicContact CE2-CH2 3.97Å; F70-W101 HydrophobicContact CE2-CZ2 4.08Å; F70-W101 AromaticContact CE2-CZ3 3.79Å; F70-W101 HydrophobicContact CE2-CZ3 3.79Å; F70-W101 HydrophobicContact CG-CH2 4.46Å; F70-W101 HydrophobicContact CG-CZ2 4.03Å
71G91.3Very high87.5Confident14 Ų1451.7 Ų51.714%0.14427%0.273CS..Hα-helixtrans-56.5-46.8172.800000113.3S67 E68 A69 L74 L75S67-G71 PolarHBondContact O-N 2.73Å; E68-G71 WeakPolarHBondContact O-CA 3.35Å; E68-G71 PolarHBondContact O-N 3.42Å; E68-G71 VanDerWaalsContact O-N 3.07Å; A69-G71 VanDerWaalsContact C-N 3.28Å; A69-G71 PolarHBondContact O-N 2.94Å; G71-L74 PolarHBondContact O-N 2.94Å; G71-L75 WeakPolarHBondContact O-CG 3.42Å; G71-L75 PolarHBondContact O-N 3.25Å
72F90.4Very high87Confident63 Ų6358 Ų5828%0.27630%0.301SS..Hα-helixtrans-67.2-39.3176.8-79-88.1000112.7E68 A69 F70 L74 L75 Y76 A86 P87 F94E68-F72 HydrophobicContact CG-CD2 4.39Å; E68-F72 HydrophobicContact CG-CE2 4.07Å; E68-F72 WeakPolarHBondContact O-CD2 3.31Å; E68-F72 PolarHBondContact O-N 3.01Å; A69-F72 PolarHBondContact O-N 2.99Å; F70-F72 PolarHBondContact O-N 3.43Å; F72-L74 VanDerWaalsContact C-N 3.31Å; F72-L74 PolarHBondContact O-N 3.09Å; F72-L75 PolarHBondContact O-N 3.37Å; F72-Y76 PolarHBondContact O-N 2.77Å; F72-A86 HydrophobicContact CD2-CB 3.52Å; F72-A86 HydrophobicContact CE2-CB 3.86Å; F72-A86 HydrophobicContact CG-CB 4.12Å; F72-P87 VanDerWaalsContact CE2-CD 3.43Å; F72-P87 HydrophobicContact CE2-CG 4.49Å; F72-P87 HydrophobicContact CZ-CG 3.87Å; F72-F94 HydrophobicContact CB-CE2 4.04Å; F72-F94 HydrophobicContact CB-CZ 4.09Å
73I90.8Very high86.8Confident0 Ų055.1 Ų55.10%029%0.289CS..Hα-helixtrans-61.4-43.6173.9-69.8170000110.2L32 A69 F70 L75 Y76 V77 L83 F94 E97 M98 W101 L103L32-I73 HydrophobicContact CD1-CG2 3.63Å; L32-I73 HydrophobicContact CD2-CG2 3.64Å; L32-I73 HydrophobicContact CG-CG2 4.28Å; A69-I73 WeakPolarHBondContact O-CG1 3.47Å; A69-I73 PolarHBondContact O-N 3.23Å; A69-I73 VanDerWaalsContact O-N 3.09Å; F70-I73 PolarHBondContact O-N 2.9Å; I73-L75 PolarHBondContact O-N 3.36Å; I73-Y76 WeakPolarHBondContact O-CB 3.27Å; I73-Y76 PolarHBondContact O-N 2.81Å; I73-V77 WeakPolarHBondContact O-CG2 3.34Å; I73-V77 PolarHBondContact O-N 3.1Å; I73-V77 VanDerWaalsContact O-N 3.11Å; I73-L83 HydrophobicContact CG1-CD1 4.33Å; I73-F94 HydrophobicContact CG1-CZ 4.18Å; I73-E97 HydrophobicContact CD1-CB 4.44Å; I73-M98 HydrophobicContact CD1-CG 4.36Å; I73-W101 HydrophobicContact CD1-CG 4.19Å; I73-L103 HydrophobicContact CG1-CD1 4.33Å; I73-L103 HydrophobicContact CG2-CD1 3.79Å
74L88.4Confident86.6Confident3 Ų361.7 Ų61.72%0.01631%0.313CS..Hα-helixtrans-66.8-36.8-179.6-177.360.3000112.7Y20 L22 F30 F70 G71 F72 Y76 V77 R78Y20-L74 HydrophobicContact CD1-CD2 3.41Å; Y20-L74 VanDerWaalsContact CD1-CD2 3.41Å; Y20-L74 HydrophobicContact CE1-CD2 4.22Å; Y20-L74 HydrophobicContact CG-CD2 3.91Å; L22-L74 HydrophobicContact CD2-CD1 3.43Å; L22-L74 VanDerWaalsContact CD2-CD1 3.43Å; F30-L74 HydrophobicContact CZ-CD1 4.37Å; F70-L74 HydrophobicContact CE1-CD2 4.38Å; F70-L74 VanDerWaalsContact O-CB 3.24Å; F70-L74 WeakPolarHBondContact O-CB 3.42Å; F70-L74 PolarHBondContact O-N 2.79Å; G71-L74 PolarHBondContact O-N 2.94Å; F72-L74 VanDerWaalsContact C-N 3.31Å; F72-L74 PolarHBondContact O-N 3.09Å; L74-Y76 VanDerWaalsContact C-N 3.33Å; L74-V77 PolarHBondContact O-N 3.43Å; L74-R78 HydrophobicContact CD1-CG 4.16Å; L74-R78 HydrophobicContact CG-CG 4.41Å; L74-R78 WeakPolarHBondContact O-CB 3.38Å; L74-R78 WeakPolarHBondContact O-CG 3.33Å; L74-R78 PolarHBondContact O-N 3.35Å
75L87.6Confident86.5Confident84 Ų8457 Ų5744%0.4429%0.287SS..Hα-helixtrans-60.7-42.9173.9-75.1170.7000111.9G71 F72 I73 R78 H80G71-L75 WeakPolarHBondContact O-CG 3.42Å; G71-L75 PolarHBondContact O-N 3.25Å; F72-L75 PolarHBondContact O-N 3.37Å; I73-L75 PolarHBondContact O-N 3.36Å; L75-R78 PolarHBondContact O-N 3.01Å; L75-H80 WeakPolarHBondContact O-CB 3.47Å; L75-H80 PolarHBondContact O-N 3.29Å
76Y86.8Confident86.3Confident60 Ų6054.1 Ų54.124%0.23528%0.277CS..Iπ-helixtrans-58.4-48.2174163.3-107.2000111.2F72 I73 L74 R78 G79 G81 L83 L103 H107F72-Y76 PolarHBondContact O-N 2.77Å; I73-Y76 WeakPolarHBondContact O-CB 3.27Å; I73-Y76 PolarHBondContact O-N 2.81Å; L74-Y76 VanDerWaalsContact C-N 3.33Å; Y76-R78 PolarHBondContact O-N 3.38Å; Y76-G79 PolarHBondContact O-N 3Å; Y76-G81 WeakPolarHBondContact CD2-O 3.16Å; Y76-L83 HydrophobicContact CD1-CB 4.39Å; Y76-L83 HydrophobicContact CD1-CD1 4.46Å; Y76-L83 HydrophobicContact CD2-CB 3.77Å; Y76-L83 HydrophobicContact CE2-CB 4.28Å; Y76-L83 HydrophobicContact CG-CB 3.84Å; Y76-L83 HydrophobicContact CG-CD1 4.12Å; Y76-L83 HydrophobicContact CG-CG 4.46Å; Y76-L103 HydrophobicContact CD1-CD1 4.48Å; Y76-L103 HydrophobicContact CE1-CD2 4.15Å; Y76-H107 HydrophobicContact CE1-CB 4.45Å; Y76-H107 PolarHBondContact OH-CD2 3.2Å
77V82.3Confident86.1Confident17 Ų1753.6 Ų53.610%0.10328%0.281CS..Iπ-helixtrans-70-31-176.3-178.60000113.2L26 F30 P31 L32 I73 L74 G79L26-V77 HydrophobicContact CD1-CG1 4.08Å; F30-V77 HydrophobicContact CD2-CG1 3.32Å; F30-V77 HydrophobicContact CE2-CB 3.99Å; F30-V77 HydrophobicContact CE2-CG1 3.14Å; F30-V77 HydrophobicContact CE2-CG2 4.49Å; F30-V77 HydrophobicContact CG-CG1 4.29Å; F30-V77 HydrophobicContact CZ-CB 4.46Å; F30-V77 HydrophobicContact CZ-CG1 3.97Å; P31-V77 HydrophobicContact CG-CB 4.33Å; P31-V77 HydrophobicContact CG-CG1 3.84Å; P31-V77 HydrophobicContact CG-CG2 3.63Å; L32-V77 HydrophobicContact CD2-CG2 4.12Å; L32-V77 HydrophobicContact CG-CG2 4.14Å; I73-V77 WeakPolarHBondContact O-CG2 3.34Å; I73-V77 PolarHBondContact O-N 3.1Å; I73-V77 VanDerWaalsContact O-N 3.11Å; L74-V77 PolarHBondContact O-N 3.43Å; V77-G79 PolarHBondContact O-N 2.84Å
78R84.6Confident85.7Confident115 Ų11564 Ų6443%0.43431%0.314SS..Iπ-helixtrans-75.15.1177.6-75.3179.2174.7170.1-2114.5S21 L26 L74 L75 Y76S21-R78 PolarHBondContact O-NH2 2.77Å; L26-R78 HydrophobicContact CD2-CG 3.93Å; L74-R78 HydrophobicContact CD1-CG 4.16Å; L74-R78 HydrophobicContact CG-CG 4.41Å; L74-R78 WeakPolarHBondContact O-CB 3.38Å; L74-R78 WeakPolarHBondContact O-CG 3.33Å; L74-R78 PolarHBondContact O-N 3.35Å; L75-R78 PolarHBondContact O-N 3.01Å; Y76-R78 PolarHBondContact O-N 3.38Å
79G70.2Confident85.6Confident66 Ų6661.1 Ų61.168%0.6830%0.301SS*.Iπ-helixtrans89.512174.900000114.9Y76 V77 G81Y76-G79 PolarHBondContact O-N 3Å; V77-G79 PolarHBondContact O-N 2.84Å; G79-G81 PolarHBondContact O-N 2.93Å
80H64.9Low85.4Confident152 Ų15264.1 Ų64.170%0.70432%0.321SS*.Iπ-helixtrans-78.610.3172.5-70-77.2000113.8L75L75-H80 WeakPolarHBondContact O-CB 3.47Å; L75-H80 PolarHBondContact O-N 3.29Å
81G72.2Confident85.2Confident42 Ų4265.1 Ų65.143%0.43333%0.326SS..  trans86.2-165.517400000114.4Y76 G79Y76-G81 WeakPolarHBondContact CD2-O 3.16Å; G79-G81 PolarHBondContact O-N 2.93Å
82K81.1Confident85.1Confident146 Ų14667.2 Ų67.264%0.63533%0.334SS*.  trans-43.1135.4-160.7-52.4177.3179.6171.60115.7E109K82-E109 HydrophobicContact CB-CB 4.15Å; K82-E109 HydrophobicContact CB-CG 4.48Å; K82-E109 HydrophobicContact CD-CB 4.35Å; K82-E109 HydrophobicContact CD-CG 3.79Å; K82-E109 WeakPolarHBondContact CD-OE1 3.36Å; K82-E109 WeakPolarHBondContact CD-OE2 3.2Å; K82-E109 WeakPolarHBondContact CE-OE1 3.19Å; K82-E109 IonicContact NZ-OE1 2.9Å; K82-E109 PolarHBondContact NZ-OE1 3.41Å
83L89.1Confident85Confident2 Ų266.8 Ų66.81%0.0134%0.339CS..BIsolated β-bridgetrans-75.1129.3177.6-173.266.3000111.4I73 Y76 F94 M98 L103 H107 L108 E109I73-L83 HydrophobicContact CG1-CD1 4.33Å; Y76-L83 HydrophobicContact CD1-CB 4.39Å; Y76-L83 HydrophobicContact CD1-CD1 4.46Å; Y76-L83 HydrophobicContact CD2-CB 3.77Å; Y76-L83 HydrophobicContact CE2-CB 4.28Å; Y76-L83 HydrophobicContact CG-CB 3.84Å; Y76-L83 HydrophobicContact CG-CD1 4.12Å; Y76-L83 HydrophobicContact CG-CG 4.46Å; L83-F94 HydrophobicContact CD1-CE1 4.46Å; L83-F94 HydrophobicContact CD1-CZ 4.3Å; L83-M98 HydrophobicContact CD2-CE 3.55Å; L83-M98 HydrophobicContact CD2-CG 4.21Å; L83-M98 HydrophobicContact CD2-SD 3.78Å; L83-L103 HydrophobicContact CD2-CD1 3.9Å; L83-H107 WeakPolarHBondContact CB-O 3.3Å; L83-H107 HydrophobicContact CD2-CB 4.34Å; L83-L108 HydrophobicContact CB-CD2 4.5Å; L83-L108 HydrophobicContact CD2-CD2 4.12Å; L83-L108 HydrophobicContact CG-CD2 4.03Å; L83-E109 PolarHBondContact O-N 3.07Å
84R90.1Very high85.1Confident138 Ų13866.8 Ų66.852%0.52134%0.339SS..  trans-130.7160.3176-64-178.1177.7178.3-0.5110.1F94 E109R84-F94 WeakPolarHBondContact O-CZ 3.17Å; R84-E109 HydrophobicContact CG-CB 4.47Å; R84-E109 IonicContact CZ-OE2 2.67Å; R84-E109 IonicContact NE-OE2 2.74Å; R84-E109 PolarHBondContact NE-OE2 2.82Å; R84-E109 IonicContact NH2-OE1 3.42Å; R84-E109 PolarHBondContact NH2-OE1 3.41Å; R84-E109 IonicContact NH2-OE2 3.47Å; R84-E109 PolarHBondContact NH2-OE2 3.35Å
85F91.1Very high85.2Confident20 Ų2069.2 Ų69.29%0.08835%0.348CS..PPolyproline II helixtrans-62139.5175.4-68.2-54.5000112.4E91 F94 L108 C112 R115 L116F85-E91 HydrophobicContact CD2-CB 4.48Å; F85-E91 HydrophobicContact CD2-CG 3.94Å; F85-E91 HydrophobicContact CE1-CB 4.21Å; F85-E91 HydrophobicContact CE2-CB 3.95Å; F85-E91 HydrophobicContact CE2-CG 3.7Å; F85-E91 HydrophobicContact CZ-CB 3.81Å; F85-E91 HydrophobicContact CZ-CG 4.11Å; F85-F94 HydrophobicContact CD1-CB 3.71Å; F85-F94 AromaticContact CD1-CD1 3.36Å; F85-F94 HydrophobicContact CD1-CD1 3.36Å; F85-F94 HydrophobicContact CD1-CE1 4.1Å; F85-F94 AromaticContact CD1-CG 3.67Å; F85-F94 HydrophobicContact CD1-CG 3.67Å; F85-F94 HydrophobicContact CE1-CB 4.15Å; F85-F94 AromaticContact CE1-CD1 3.8Å; F85-F94 HydrophobicContact CE1-CD1 3.8Å; F85-F94 HydrophobicContact CE1-CG 4.32Å; F85-L108 HydrophobicContact CE1-CD1 4.21Å; F85-L108 HydrophobicContact CE1-CD2 4.37Å; F85-L108 HydrophobicContact CZ-CD1 3.98Å; F85-C112 HydrophobicContact CD2-CB 3.76Å; F85-C112 HydrophobicContact CE2-CB 3.75Å; F85-C112 WeakPolarHBondContact CE2-O 3.27Å; F85-C112 HydrophobicContact CG-CB 4.49Å; F85-C112 HydrophobicContact CZ-CB 4.44Å; F85-R115 HydrophobicContact CE2-CB 4.28Å; F85-L116 HydrophobicContact CZ-CB 4.03Å; F85-L116 HydrophobicContact CZ-CD1 4.28Å
86A89.9Confident85.3Confident4 Ų469.7 Ų69.73%0.03335%0.351CS..PPolyproline II helixtrans-58.8136.5168.900000110.4F72 M89 F94F72-A86 HydrophobicContact CD2-CB 3.52Å; F72-A86 HydrophobicContact CE2-CB 3.86Å; F72-A86 HydrophobicContact CG-CB 4.12Å; A86-M89 HydrophobicContact CB-CB 4.11Å; A86-M89 HydrophobicContact CB-SD 4.42Å; A86-M89 PolarHBondContact O-N 2.83Å; A86-F94 HydrophobicContact CB-CD2 3.67Å; A86-F94 HydrophobicContact CB-CE2 3.63Å
87P86.9Confident85.6Confident69 Ų6967.8 Ų67.845%0.44834%0.344SS..THydrogen-bonded Turntrans-54141.7173-23.933.6000111.1F72 M89F72-P87 VanDerWaalsContact CE2-CD 3.43Å; F72-P87 HydrophobicContact CE2-CG 4.49Å; F72-P87 HydrophobicContact CZ-CG 3.87Å; P87-M89 PolarHBondContact O-N 2.87Å
88R85.9Confident86Confident259 Ų25967 Ų6798%0.97734%0.339SS*.THydrogen-bonded Turntrans63.17.1176.2-47.5178.7-168175.74.4115.8
89M88.4Confident86.2Confident30 Ų3065.6 Ų65.615%0.14834%0.34CS..SBendtrans-97.4142.1171.3-166.3168.7-168.200110.9H66 A69 A86 P87 F94 E97H66-M89 HydrophobicContact CB-CE 4.26Å; A69-M89 HydrophobicContact CB-CE 4.01Å; A69-M89 HydrophobicContact CB-SD 3.69Å; A86-M89 HydrophobicContact CB-CB 4.11Å; A86-M89 HydrophobicContact CB-SD 4.42Å; A86-M89 PolarHBondContact O-N 2.83Å; P87-M89 PolarHBondContact O-N 2.87Å; M89-F94 HydrophobicContact CG-CB 4.18Å; M89-F94 HydrophobicContact SD-CB 3.86Å; M89-F94 HydrophobicContact SD-CD2 3.72Å; M89-F94 HydrophobicContact SD-CG 4.28Å; M89-E97 HydrophobicContact CE-CG 3.76Å
90C89Confident87.1Confident63 Ų6363.9 Ų63.943%0.42631%0.313SS..  trans-63.7140.7171.7177.70000110.6L92 S93 F94C90-L92 VanDerWaalsContact C-N 3.31Å; C90-L92 PolarHBondContact O-N 3.49Å; C90-S93 PolarHBondContact O-N 3.1Å; C90-S93 VanDerWaalsContact O-N 3.16Å; C90-F94 PolarHBondContact O-N 3.25Å
91E89Confident88.3Confident21 Ų2156.6 Ų56.610%0.09828%0.279CS..Hα-helixtrans-59-40.5-178.1-60.388.7164.700112.2F85 Y95 R115 R119F85-E91 HydrophobicContact CD2-CB 4.48Å; F85-E91 HydrophobicContact CD2-CG 3.94Å; F85-E91 HydrophobicContact CE1-CB 4.21Å; F85-E91 HydrophobicContact CE2-CB 3.95Å; F85-E91 HydrophobicContact CE2-CG 3.7Å; F85-E91 HydrophobicContact CZ-CB 3.81Å; F85-E91 HydrophobicContact CZ-CG 4.11Å; E91-Y95 VanDerWaalsContact O-CB 3.3Å; E91-Y95 WeakPolarHBondContact O-CB 3.5Å; E91-Y95 PolarHBondContact O-N 3.03Å; E91-R115 IonicContact OE1-CZ 3.64Å; E91-R115 IonicContact OE1-NE 3.14Å; E91-R115 IonicContact OE1-NH2 3.98Å; E91-R115 PolarHBondContact OE1-NH2 3.07Å; E91-R119 HydrophobicContact CB-CG 4.32Å; E91-R119 HydrophobicContact CG-CG 4.37Å; E91-R119 IonicContact OE1-NE 2.69Å; E91-R119 IonicContact OE2-NE 2.86Å
92L87.8Confident88.9Confident58 Ų5855.4 Ų55.430%0.30427%0.267SS..Hα-helixtrans-69-39.9177.4-64.1176.4000112C90 Y95 N96 L116 M120C90-L92 VanDerWaalsContact C-N 3.31Å; C90-L92 PolarHBondContact O-N 3.49Å; L92-Y95 PolarHBondContact O-N 3.35Å; L92-N96 PolarHBondContact O-N 3.15Å; L92-L116 HydrophobicContact CD2-CD1 4.3Å; L92-M120 HydrophobicContact CD2-CG 4.17Å
93S88.8Confident89.2Confident54 Ų5448.6 Ų48.638%0.37824%0.237SC..Hα-helixtrans-65-44176.9-59.60000111.2C90 Y95 N96 E97C90-S93 PolarHBondContact O-N 3.1Å; C90-S93 VanDerWaalsContact O-N 3.16Å; S93-Y95 VanDerWaalsContact C-N 3.33Å; S93-N96 WeakPolarHBondContact O-CB 3.18Å; S93-N96 PolarHBondContact O-N 3.39Å; S93-E97 PolarHBondContact O-N 3.17Å; S93-E97 VanDerWaalsContact O-N 3.12Å
94F93.1Very high89Confident0 Ų053.1 Ų53.10%026%0.259CS..Hα-helixtrans-66.3-38176.6-171.4-86000111.5A69 F72 I73 L83 R84 F85 A86 M89 C90 N96 E97 M98A69-F94 HydrophobicContact CB-CD2 4Å; A69-F94 HydrophobicContact CB-CE2 4.11Å; F72-F94 HydrophobicContact CB-CE2 4.04Å; F72-F94 HydrophobicContact CB-CZ 4.09Å; I73-F94 HydrophobicContact CG1-CZ 4.18Å; L83-F94 HydrophobicContact CD1-CE1 4.46Å; L83-F94 HydrophobicContact CD1-CZ 4.3Å; R84-F94 WeakPolarHBondContact O-CZ 3.17Å; F85-F94 HydrophobicContact CD1-CB 3.71Å; F85-F94 AromaticContact CD1-CD1 3.36Å; F85-F94 HydrophobicContact CD1-CD1 3.36Å; F85-F94 HydrophobicContact CD1-CE1 4.1Å; F85-F94 AromaticContact CD1-CG 3.67Å; F85-F94 HydrophobicContact CD1-CG 3.67Å; F85-F94 HydrophobicContact CE1-CB 4.15Å; F85-F94 AromaticContact CE1-CD1 3.8Å; F85-F94 HydrophobicContact CE1-CD1 3.8Å; F85-F94 HydrophobicContact CE1-CG 4.32Å; A86-F94 HydrophobicContact CB-CD2 3.67Å; A86-F94 HydrophobicContact CB-CE2 3.63Å; M89-F94 HydrophobicContact CG-CB 4.18Å; M89-F94 HydrophobicContact SD-CB 3.86Å; M89-F94 HydrophobicContact SD-CD2 3.72Å; M89-F94 HydrophobicContact SD-CG 4.28Å; C90-F94 PolarHBondContact O-N 3.25Å; F94-N96 VanDerWaalsContact C-N 3.32Å; F94-N96 PolarHBondContact O-N 3.18Å; F94-E97 WeakPolarHBondContact O-CB 3.14Å; F94-E97 PolarHBondContact O-N 3.49Å; F94-E97 VanDerWaalsContact O-N 3.17Å; F94-M98 HydrophobicContact CD1-CG 3.81Å; F94-M98 HydrophobicContact CD1-SD 3.8Å; F94-M98 HydrophobicContact CE1-CG 3.65Å; F94-M98 HydrophobicContact CE1-SD 3.7Å; F94-M98 WeakPolarHBondContact O-CG 3.09Å; F94-M98 PolarHBondContact O-N 3.39Å
95Y90.9Very high88.5Confident53 Ų5347.3 Ų47.321%0.20824%0.241CC..Hα-helixtrans-61.8-38174-179.4-112.3000112.6E91 L92 S93 E97 M98 I99 L116 M120E91-Y95 VanDerWaalsContact O-CB 3.3Å; E91-Y95 WeakPolarHBondContact O-CB 3.5Å; E91-Y95 PolarHBondContact O-N 3.03Å; L92-Y95 PolarHBondContact O-N 3.35Å; S93-Y95 VanDerWaalsContact C-N 3.33Å; Y95-E97 VanDerWaalsContact C-N 3.35Å; Y95-E97 PolarHBondContact O-N 3.02Å; Y95-M98 WeakPolarHBondContact O-CB 3.48Å; Y95-M98 PolarHBondContact O-N 3.17Å; Y95-I99 HydrophobicContact CD1-CD1 3.71Å; Y95-I99 HydrophobicContact CE1-CD1 3.2Å; Y95-I99 HydrophobicContact CE1-CG1 4.15Å; Y95-I99 HydrophobicContact CE2-CD1 4.15Å; Y95-I99 HydrophobicContact CE2-CG1 4.24Å; Y95-I99 HydrophobicContact CG-CD1 4.38Å; Y95-I99 VanDerWaalsContact CZ-CD1 3.46Å; Y95-I99 WeakPolarHBondContact O-CG1 3.37Å; Y95-I99 PolarHBondContact O-N 3.42Å; Y95-L116 HydrophobicContact CD1-CD1 4.48Å; Y95-L116 HydrophobicContact CD2-CD1 4.41Å; Y95-L116 HydrophobicContact CD2-CD2 3.4Å; Y95-L116 VanDerWaalsContact CD2-CD2 3.4Å; Y95-L116 HydrophobicContact CE2-CD2 3.73Å; Y95-L116 HydrophobicContact CG-CD1 4Å; Y95-L116 HydrophobicContact CG-CD2 3.84Å; Y95-M120 HydrophobicContact CD1-CE 3.52Å; Y95-M120 HydrophobicContact CE1-CE 3.15Å; Y95-M120 HydrophobicContact CE2-CE 4.43Å; Y95-M120 HydrophobicContact CG-CE 4.28Å
96N89.3Confident88Confident95 Ų9550 Ų5051%0.50827%0.267SS..Hα-helixtrans-63.9-38.2172.5-74.1-22.8000112.6L92 S93 F94 Y100L92-N96 PolarHBondContact O-N 3.15Å; S93-N96 WeakPolarHBondContact O-CB 3.18Å; S93-N96 PolarHBondContact O-N 3.39Å; F94-N96 VanDerWaalsContact C-N 3.32Å; F94-N96 PolarHBondContact O-N 3.18Å; N96-Y100 WeakPolarHBondContact O-CB 3.32Å; N96-Y100 PolarHBondContact O-N 2.8Å
97E92.7Very high87.8Confident19 Ų1952.7 Ų52.79%0.08928%0.279CS..Hα-helixtrans-62.2-48.3171.1-68.6-58.9130.600110.5R65 H66 A69 I73 M89 S93 F94 Y95 I99 Y100 W101R65-E97 IonicContact CZ-OE1 3Å; R65-E97 IonicContact CZ-OE2 2.94Å; R65-E97 IonicContact NE-OE1 2.82Å; R65-E97 PolarHBondContact NE-OE1 3.21Å; R65-E97 VanDerWaalsContact NE-OE1 3.15Å; R65-E97 IonicContact NE-OE2 2.94Å; R65-E97 PolarHBondContact NE-OE2 3.21Å; R65-E97 VanDerWaalsContact NH2-CD 3.28Å; R65-E97 IonicContact NH2-OE1 2.86Å; R65-E97 PolarHBondContact NH2-OE1 3.25Å; R65-E97 IonicContact NH2-OE2 2.81Å; R65-E97 PolarHBondContact NH2-OE2 3.25Å; H66-E97 HydrophobicContact CB-CG 4.32Å; A69-E97 HydrophobicContact CB-CB 4.03Å; A69-E97 HydrophobicContact CB-CG 3.77Å; I73-E97 HydrophobicContact CD1-CB 4.44Å; M89-E97 HydrophobicContact CE-CG 3.76Å; S93-E97 PolarHBondContact O-N 3.17Å; S93-E97 VanDerWaalsContact O-N 3.12Å; F94-E97 WeakPolarHBondContact O-CB 3.14Å; F94-E97 PolarHBondContact O-N 3.49Å; F94-E97 VanDerWaalsContact O-N 3.17Å; Y95-E97 VanDerWaalsContact C-N 3.35Å; Y95-E97 PolarHBondContact O-N 3.02Å; E97-I99 PolarHBondContact O-N 3.39Å; E97-Y100 WeakPolarHBondContact O-CB 3.38Å; E97-Y100 PolarHBondContact O-N 2.99Å; E97-Y100 VanDerWaalsContact O-N 3.1Å; E97-W101 PolarHBondContact O-N 3.01Å; E97-W101 PolarHBondContact OE2-NE1 3.26Å
98M90.8Very high87.9Confident0 Ų049.8 Ų49.80%026%0.26CS..Hα-helixtrans-53.3-50.6176.7-72.7179.253.900112.6I73 L83 F94 Y95 Y100 W101 G102 L103 E104 L108I73-M98 HydrophobicContact CD1-CG 4.36Å; L83-M98 HydrophobicContact CD2-CE 3.55Å; L83-M98 HydrophobicContact CD2-CG 4.21Å; L83-M98 HydrophobicContact CD2-SD 3.78Å; F94-M98 HydrophobicContact CD1-CG 3.81Å; F94-M98 HydrophobicContact CD1-SD 3.8Å; F94-M98 HydrophobicContact CE1-CG 3.65Å; F94-M98 HydrophobicContact CE1-SD 3.7Å; F94-M98 WeakPolarHBondContact O-CG 3.09Å; F94-M98 PolarHBondContact O-N 3.39Å; Y95-M98 WeakPolarHBondContact O-CB 3.48Å; Y95-M98 PolarHBondContact O-N 3.17Å; M98-Y100 VanDerWaalsContact C-N 3.31Å; M98-Y100 PolarHBondContact O-N 3.32Å; M98-W101 PolarHBondContact O-N 3.14Å; M98-G102 PolarHBondContact O-N 3.21Å; M98-L103 CarbonylContact C-O 3.54Å; M98-L103 HydrophobicContact CB-CB 4.13Å; M98-L103 HydrophobicContact CE-CB 4.1Å; M98-L103 PolarHBondContact O-N 2.73Å; M98-E104 WeakPolarHBondContact CE-O 3.3Å; M98-L108 HydrophobicContact CE-CD1 4.31Å; M98-L108 HydrophobicContact CE-CD2 4.25Å; M98-L108 HydrophobicContact CE-CG 3.87Å; M98-L108 HydrophobicContact SD-CD1 4.08Å; M98-L108 HydrophobicContact SD-CD2 3.73Å; M98-L108 HydrophobicContact SD-CG 3.89Å
99I89Confident88.1Confident87 Ų8739 Ų3945%0.44622%0.221SC..Hα-helixtrans-60.6-43.6178.2-68.7165.9000110.6Y95 E97 W101 G102Y95-I99 HydrophobicContact CD1-CD1 3.71Å; Y95-I99 HydrophobicContact CE1-CD1 3.2Å; Y95-I99 HydrophobicContact CE1-CG1 4.15Å; Y95-I99 HydrophobicContact CE2-CD1 4.15Å; Y95-I99 HydrophobicContact CE2-CG1 4.24Å; Y95-I99 HydrophobicContact CG-CD1 4.38Å; Y95-I99 VanDerWaalsContact CZ-CD1 3.46Å; Y95-I99 WeakPolarHBondContact O-CG1 3.37Å; Y95-I99 PolarHBondContact O-N 3.42Å; E97-I99 PolarHBondContact O-N 3.39Å; I99-W101 VanDerWaalsContact C-N 3.29Å; I99-W101 PolarHBondContact O-N 2.98Å; I99-G102 WeakPolarHBondContact O-CA 3.34Å; I99-G102 PolarHBondContact O-N 3.41Å
100Y89.5Confident87.9Confident29 Ų2945.6 Ų45.611%0.11425%0.245CC..Hα-helixtrans-56.8-44.9179.4176.4-99.4000112R34 F63 R65 N96 E97 M98 G102R34-Y100 WeakPolarHBondContact CD-O 3.46Å; R34-Y100 VanDerWaalsContact CZ-CD2 3.46Å; R34-Y100 PolarHBondContact NE-O 3.34Å; R34-Y100 PolarHBondContact NH1-OH 3.1Å; F63-Y100 HydrophobicContact CD1-CE1 4.3Å; R65-Y100 HydrophobicContact CG-CD1 4.12Å; R65-Y100 HydrophobicContact CG-CE1 3.55Å; R65-Y100 VanDerWaalsContact CZ-CD2 3.48Å; R65-Y100 VanDerWaalsContact NH2-CB 3.34Å; N96-Y100 WeakPolarHBondContact O-CB 3.32Å; N96-Y100 PolarHBondContact O-N 2.8Å; E97-Y100 WeakPolarHBondContact O-CB 3.38Å; E97-Y100 PolarHBondContact O-N 2.99Å; E97-Y100 VanDerWaalsContact O-N 3.1Å; M98-Y100 VanDerWaalsContact C-N 3.31Å; M98-Y100 PolarHBondContact O-N 3.32Å; Y100-G102 PolarHBondContact O-N 3.01Å
101W90.2Very high87.8Confident0 Ų045.5 Ų45.50%024%0.244CC..Hα-helixtrans-74.6-11.9177.3-60.5111.7000112.8V15 L32 R33 R34 V35 F63 R65 F70 I73 E97 M98 I99V15-W101 HydrophobicContact CG1-CH2 4.16Å; V15-W101 HydrophobicContact CG1-CZ2 3.77Å; V15-W101 HydrophobicContact CG2-CH2 3.87Å; V15-W101 HydrophobicContact CG2-CZ2 4.23Å; L32-W101 CarbonylContact C-O 3.58Å; L32-W101 VanDerWaalsContact C-O 3.32Å; L32-W101 WeakPolarHBondContact CA-O 3.15Å; L32-W101 WeakPolarHBondContact CB-O 3.45Å; L32-W101 HydrophobicContact CD1-CB 4.09Å; L32-W101 HydrophobicContact CD2-CB 4.08Å; L32-W101 HydrophobicContact CG-CB 4.47Å; R33-W101 PolarHBondContact N-O 2.56Å; R34-W101 PolarHBondContact N-O 3.43Å; V35-W101 HydrophobicContact CG2-CE3 3.61Å; V35-W101 HydrophobicContact CG2-CZ3 3.73Å; F63-W101 HydrophobicContact CB-CH2 3.75Å; F63-W101 HydrophobicContact CB-CZ2 4.49Å; F63-W101 AromaticContact CD1-CH2 3.72Å; F63-W101 HydrophobicContact CD1-CH2 3.72Å; F63-W101 AromaticContact CD1-CZ3 3.78Å; F63-W101 HydrophobicContact CD1-CZ3 3.78Å; F63-W101 HydrophobicContact CD2-CH2 4.11Å; F63-W101 HydrophobicContact CD2-CZ3 4.37Å; F63-W101 HydrophobicContact CE1-CH2 4.32Å; F63-W101 AromaticContact CE1-CZ3 3.92Å; F63-W101 HydrophobicContact CE1-CZ3 3.92Å; F63-W101 AromaticContact CG-CH2 3.58Å; F63-W101 HydrophobicContact CG-CH2 3.58Å; F63-W101 HydrophobicContact CG-CZ3 4.01Å; F63-W101 HydrophobicContact CZ-CZ3 4.3Å; R65-W101 HydrophobicContact CB-CZ2 3.94Å; R65-W101 HydrophobicContact CG-CZ2 4.11Å; F70-W101 HydrophobicContact CB-CZ2 4.25Å; F70-W101 AromaticContact CD2-CD2 3.59Å; F70-W101 HydrophobicContact CD2-CD2 3.59Å; F70-W101 AromaticContact CD2-CE2 3.35Å; F70-W101 AromaticContact CD2-CE3 3.97Å; F70-W101 HydrophobicContact CD2-CE3 3.97Å; F70-W101 HydrophobicContact CD2-CG 4.14Å; F70-W101 AromaticContact CD2-CH2 3.87Å; F70-W101 HydrophobicContact CD2-CH2 3.87Å; F70-W101 AromaticContact CD2-CZ2 3.52Å; F70-W101 HydrophobicContact CD2-CZ2 3.52Å; F70-W101 HydrophobicContact CD2-CZ3 4.1Å; F70-W101 AromaticContact CD2-NE1 3.78Å; F70-W101 AromaticContact CE2-CD2 3.78Å; F70-W101 HydrophobicContact CE2-CD2 3.78Å; F70-W101 AromaticContact CE2-CE2 3.97Å; F70-W101 AromaticContact CE2-CE3 3.7Å; F70-W101 HydrophobicContact CE2-CE3 3.7Å; F70-W101 HydrophobicContact CE2-CG 4.44Å; F70-W101 AromaticContact CE2-CH2 3.97Å; F70-W101 HydrophobicContact CE2-CH2 3.97Å; F70-W101 HydrophobicContact CE2-CZ2 4.08Å; F70-W101 AromaticContact CE2-CZ3 3.79Å; F70-W101 HydrophobicContact CE2-CZ3 3.79Å; F70-W101 HydrophobicContact CG-CH2 4.46Å; F70-W101 HydrophobicContact CG-CZ2 4.03Å; I73-W101 HydrophobicContact CD1-CG 4.19Å; E97-W101 PolarHBondContact O-N 3.01Å; E97-W101 PolarHBondContact OE2-NE1 3.26Å; M98-W101 PolarHBondContact O-N 3.14Å; I99-W101 VanDerWaalsContact C-N 3.29Å; I99-W101 PolarHBondContact O-N 2.98Å
102G85.2Confident87.8Confident17 Ų1744.8 Ų44.818%0.17524%0.242CC..THydrogen-bonded Turntrans98.221.4174.600000114.4M98 I99 Y100M98-G102 PolarHBondContact O-N 3.21Å; I99-G102 WeakPolarHBondContact O-CA 3.34Å; I99-G102 PolarHBondContact O-N 3.41Å; Y100-G102 PolarHBondContact O-N 3.01Å
103L87.6Confident87.8Confident3 Ų345.2 Ų45.22%0.01624%0.242CC..  trans-93.8143.6172.3-65.8173.2000111.4P31 L32 I73 Y76 L83 M98P31-L103 HydrophobicContact CB-CD2 4.27Å; L32-L103 HydrophobicContact CD2-CD1 3.61Å; L32-L103 HydrophobicContact CD2-CD2 3.67Å; L32-L103 HydrophobicContact CD2-CG 3.39Å; I73-L103 HydrophobicContact CG1-CD1 4.33Å; I73-L103 HydrophobicContact CG2-CD1 3.79Å; Y76-L103 HydrophobicContact CD1-CD1 4.48Å; Y76-L103 HydrophobicContact CE1-CD2 4.15Å; L83-L103 HydrophobicContact CD2-CD1 3.9Å; M98-L103 CarbonylContact C-O 3.54Å; M98-L103 HydrophobicContact CB-CB 4.13Å; M98-L103 HydrophobicContact CE-CB 4.1Å; M98-L103 PolarHBondContact O-N 2.73Å
104E83.9Confident87.6Confident97 Ų9749.5 Ų49.545%0.45325%0.25SC..  trans-95.9161.1173.4-62.8172.8-162.200111.3R33 M98 A106 H107R33-E104 IonicContact CZ-OE1 3.56Å; R33-E104 IonicContact NH1-OE1 2.71Å; R33-E104 IonicContact NH2-OE1 3.31Å; R33-E104 PolarHBondContact NH2-OE1 3.38Å; M98-E104 WeakPolarHBondContact CE-O 3.3Å; E104-A106 PolarHBondContact O-N 2.85Å; E104-A106 VanDerWaalsContact O-N 3.16Å; E104-H107 PolarHBondContact N-CE1 3.27Å; E104-H107 PolarHBondContact N-ND1 2.69Å; E104-H107 PolarHBondContact O-N 3.37Å; E104-H107 VanDerWaalsContact O-N 3.13Å; E104-H107 PolarHBondContact O-ND1 2.89Å
105G79.6Confident87.3Confident15 Ų1555.3 Ų55.316%0.15527%0.272CS..G310 helixtrans-59.4-26.7-179.400000114.1H107 L108G105-H107 PolarHBondContact O-N 2.81Å; G105-H107 VanDerWaalsContact O-N 3.14Å; G105-L108 WeakPolarHBondContact O-CB 3.47Å; G105-L108 PolarHBondContact O-N 2.7Å; G105-L108 VanDerWaalsContact O-N 3.11Å
106A81.3Confident87Confident77 Ų7753 Ų5364%0.63626%0.263SS*.G310 helixtrans-63.7-15.3177.600000114.3E104 L108E104-A106 PolarHBondContact O-N 2.85Å; E104-A106 VanDerWaalsContact O-N 3.16Å; A106-L108 VanDerWaalsContact C-N 3.31Å
107H84.7Confident86.5Confident61 Ų6152.3 Ų52.328%0.28226%0.259SS..G310 helixtrans-79.6-13.5176.3-57.898.9000113.1Y76 L83 E104 G105Y76-H107 HydrophobicContact CE1-CB 4.45Å; Y76-H107 PolarHBondContact OH-CD2 3.2Å; L83-H107 WeakPolarHBondContact CB-O 3.3Å; L83-H107 HydrophobicContact CD2-CB 4.34Å; E104-H107 PolarHBondContact N-CE1 3.27Å; E104-H107 PolarHBondContact N-ND1 2.69Å; E104-H107 PolarHBondContact O-N 3.37Å; E104-H107 VanDerWaalsContact O-N 3.13Å; E104-H107 PolarHBondContact O-ND1 2.89Å; G105-H107 PolarHBondContact O-N 2.81Å; G105-H107 VanDerWaalsContact O-N 3.14Å
108L89.4Confident85.8Confident8 Ų855.5 Ų55.54%0.04228%0.277CS..BIsolated β-bridgetrans-71147.8176.2-73.8168.3000111.3L83 F85 M98 G105 A106 C112 Q113 L116L83-L108 HydrophobicContact CB-CD2 4.5Å; L83-L108 HydrophobicContact CD2-CD2 4.12Å; L83-L108 HydrophobicContact CG-CD2 4.03Å; F85-L108 HydrophobicContact CE1-CD1 4.21Å; F85-L108 HydrophobicContact CE1-CD2 4.37Å; F85-L108 HydrophobicContact CZ-CD1 3.98Å; M98-L108 HydrophobicContact CE-CD1 4.31Å; M98-L108 HydrophobicContact CE-CD2 4.25Å; M98-L108 HydrophobicContact CE-CG 3.87Å; M98-L108 HydrophobicContact SD-CD1 4.08Å; M98-L108 HydrophobicContact SD-CD2 3.73Å; M98-L108 HydrophobicContact SD-CG 3.89Å; G105-L108 WeakPolarHBondContact O-CB 3.47Å; G105-L108 PolarHBondContact O-N 2.7Å; G105-L108 VanDerWaalsContact O-N 3.11Å; A106-L108 VanDerWaalsContact C-N 3.31Å; L108-C112 HydrophobicContact CB-CB 4.24Å; L108-C112 HydrophobicContact CD2-CB 3.95Å; L108-C112 HydrophobicContact CG-CB 4.47Å; L108-Q113 HydrophobicContact CB-CB 4.16Å; L108-L116 HydrophobicContact CD1-CD2 3.91Å
109E89.8Confident85.3Confident33 Ų3361.1 Ų61.115%0.15430%0.298CS..  trans-62.9145.5164.9-170.9161.5-163.500110.8K82 L83 R84 C111 C112 Q113K82-E109 HydrophobicContact CB-CB 4.15Å; K82-E109 HydrophobicContact CB-CG 4.48Å; K82-E109 HydrophobicContact CD-CB 4.35Å; K82-E109 HydrophobicContact CD-CG 3.79Å; K82-E109 WeakPolarHBondContact CD-OE1 3.36Å; K82-E109 WeakPolarHBondContact CD-OE2 3.2Å; K82-E109 WeakPolarHBondContact CE-OE1 3.19Å; K82-E109 IonicContact NZ-OE1 2.9Å; K82-E109 PolarHBondContact NZ-OE1 3.41Å; L83-E109 PolarHBondContact O-N 3.07Å; R84-E109 HydrophobicContact CG-CB 4.47Å; R84-E109 IonicContact CZ-OE2 2.67Å; R84-E109 IonicContact NE-OE2 2.74Å; R84-E109 PolarHBondContact NE-OE2 2.82Å; R84-E109 IonicContact NH2-OE1 3.42Å; R84-E109 PolarHBondContact NH2-OE1 3.41Å; R84-E109 IonicContact NH2-OE2 3.47Å; R84-E109 PolarHBondContact NH2-OE2 3.35Å; E109-C111 PolarHBondContact O-N 2.9Å; E109-C112 WeakPolarHBondContact O-CA 3.38Å; E109-C112 PolarHBondContact O-N 3.31Å; E109-Q113 PolarHBondContact O-N 3.45Å
110Y84.4Confident84.6Confident167 Ų16759.9 Ų59.966%0.65529%0.291SS*.Hα-helixtrans-46.3-38.7-177.6179.6-105.6000114.3C112 Q113 R114Y110-C112 PolarHBondContact O-N 2.91Å; Y110-Q113 PolarHBondContact O-N 2.88Å; Y110-R114 VanDerWaalsContact O-CB 3.31Å; Y110-R114 WeakPolarHBondContact O-CB 3.27Å; Y110-R114 PolarHBondContact O-N 2.93Å
111C87.3Confident83.5Confident62 Ų6261.6 Ų61.642%0.41931%0.308SS..Hα-helixtrans-65.7-35.9177.464.40000113.5E109 R115E109-C111 PolarHBondContact O-N 2.9Å; C111-R115 WeakPolarHBondContact O-CG 3.35Å; C111-R115 PolarHBondContact O-N 2.88Å
112C89.4Confident82.2Confident6 Ų664.9 Ų64.94%0.04133%0.325CS..Hα-helixtrans-81.7-37177.5-65.30000110.9F85 L108 E109 Y110 R115 L116F85-C112 HydrophobicContact CD2-CB 3.76Å; F85-C112 HydrophobicContact CE2-CB 3.75Å; F85-C112 WeakPolarHBondContact CE2-O 3.27Å; F85-C112 HydrophobicContact CG-CB 4.49Å; F85-C112 HydrophobicContact CZ-CB 4.44Å; L108-C112 HydrophobicContact CB-CB 4.24Å; L108-C112 HydrophobicContact CD2-CB 3.95Å; L108-C112 HydrophobicContact CG-CB 4.47Å; E109-C112 WeakPolarHBondContact O-CA 3.38Å; E109-C112 PolarHBondContact O-N 3.31Å; Y110-C112 PolarHBondContact O-N 2.91Å; C112-R115 PolarHBondContact O-N 2.95Å; C112-L116 PolarHBondContact O-N 3.49Å
113Q87.9Confident80.9Confident66 Ų6666.3 Ų66.331%0.30833%0.33SS..Hα-helixtrans-60.5-48.5173.6-172.3175.31.100111.1L108 E109 Y110 R115 L116 D117L108-Q113 HydrophobicContact CB-CB 4.16Å; E109-Q113 PolarHBondContact O-N 3.45Å; Y110-Q113 PolarHBondContact O-N 2.88Å; Q113-R115 VanDerWaalsContact C-N 3.33Å; Q113-R115 PolarHBondContact O-N 3.24Å; Q113-L116 WeakPolarHBondContact O-CA 3.34Å; Q113-L116 VanDerWaalsContact O-CB 3.32Å; Q113-L116 WeakPolarHBondContact O-CB 3.35Å; Q113-L116 PolarHBondContact O-N 2.98Å; Q113-D117 VanDerWaalsContact O-CG 3.29Å; Q113-D117 PolarHBondContact O-N 2.87Å
114R84.2Confident79.1Confident145 Ų14573.3 Ų73.355%0.54736%0.358SS..Hα-helixtrans-58.7-42.6175.6-176.9175.5172170.5-0112.5Y110 L116 D117 D118Y110-R114 VanDerWaalsContact O-CB 3.31Å; Y110-R114 WeakPolarHBondContact O-CB 3.27Å; Y110-R114 PolarHBondContact O-N 2.93Å; R114-L116 VanDerWaalsContact C-N 3.31Å; R114-L116 PolarHBondContact O-N 2.9Å; R114-D117 PolarHBondContact O-N 3.15Å; R114-D118 WeakPolarHBondContact O-CB 3.48Å; R114-D118 VanDerWaalsContact O-CG 3.25Å; R114-D118 PolarHBondContact O-N 3.49Å
115R85.4Confident77.3Confident121 Ų12172.7 Ų72.746%0.45736%0.36SS..Hα-helixtrans-62.6-36.9174.7-78.6178.163.2-169.8-0.8112.6F85 E91 C111 C112 Q113 R119F85-R115 HydrophobicContact CE2-CB 4.28Å; E91-R115 IonicContact OE1-CZ 3.64Å; E91-R115 IonicContact OE1-NE 3.14Å; E91-R115 IonicContact OE1-NH2 3.98Å; E91-R115 PolarHBondContact OE1-NH2 3.07Å; C111-R115 WeakPolarHBondContact O-CG 3.35Å; C111-R115 PolarHBondContact O-N 2.88Å; C112-R115 PolarHBondContact O-N 2.95Å; Q113-R115 VanDerWaalsContact C-N 3.33Å; Q113-R115 PolarHBondContact O-N 3.24Å; R115-R119 WeakPolarHBondContact O-CB 3.32Å; R115-R119 VanDerWaalsContact O-CG 3.28Å; R115-R119 WeakPolarHBondContact O-CG 3.48Å; R115-R119 PolarHBondContact O-N 3.36Å; R115-R119 VanDerWaalsContact O-N 3.11Å
116L84.7Confident75.6Confident4 Ų474.2 Ų74.22%0.02136%0.363CS..Hα-helixtrans-65.9-46.6175.2-173.760.3000111F85 L92 Y95 L108 C112 Q113 R114 R119 M120F85-L116 HydrophobicContact CZ-CB 4.03Å; F85-L116 HydrophobicContact CZ-CD1 4.28Å; L92-L116 HydrophobicContact CD2-CD1 4.3Å; Y95-L116 HydrophobicContact CD1-CD1 4.48Å; Y95-L116 HydrophobicContact CD2-CD1 4.41Å; Y95-L116 HydrophobicContact CD2-CD2 3.4Å; Y95-L116 VanDerWaalsContact CD2-CD2 3.4Å; Y95-L116 HydrophobicContact CE2-CD2 3.73Å; Y95-L116 HydrophobicContact CG-CD1 4Å; Y95-L116 HydrophobicContact CG-CD2 3.84Å; L108-L116 HydrophobicContact CD1-CD2 3.91Å; C112-L116 PolarHBondContact O-N 3.49Å; Q113-L116 WeakPolarHBondContact O-CA 3.34Å; Q113-L116 VanDerWaalsContact O-CB 3.32Å; Q113-L116 WeakPolarHBondContact O-CB 3.35Å; Q113-L116 PolarHBondContact O-N 2.98Å; R114-L116 VanDerWaalsContact C-N 3.31Å; R114-L116 PolarHBondContact O-N 2.9Å; L116-R119 PolarHBondContact O-N 3.21Å; L116-M120 HydrophobicContact CD1-CE 4.11Å; L116-M120 HydrophobicContact CD1-CG 4.47Å; L116-M120 HydrophobicContact CD2-CE 4.2Å; L116-M120 HydrophobicContact CG-CE 4.08Å; L116-M120 HydrophobicContact CG-CG 4.47Å; L116-M120 WeakPolarHBondContact O-CB 3.34Å; L116-M120 WeakPolarHBondContact O-CG 3.36Å; L116-M120 PolarHBondContact O-N 2.87Å
117D80.1Confident73.5Confident81 Ų8177.6 Ų77.643%0.43336%0.36SS..Hα-helixtrans-62.5-43.2180-65.3-24.1000111Q113 R114 R119 M120 S121Q113-D117 VanDerWaalsContact O-CG 3.29Å; Q113-D117 PolarHBondContact O-N 2.87Å; R114-D117 PolarHBondContact O-N 3.15Å; D117-R119 PolarHBondContact O-N 3.23Å; D117-M120 PolarHBondContact O-N 3.06Å; D117-S121 VanDerWaalsContact O-CB 3.23Å; D117-S121 WeakPolarHBondContact O-CB 3.28Å; D117-S121 PolarHBondContact O-N 3.04Å
118D77.4Confident71Confident86 Ų8677.7 Ų77.746%0.4637%0.368SS..Hα-helixtrans-58.9-46.1174-71.6-22.2000110.7R114 S121 D122R114-D118 WeakPolarHBondContact O-CB 3.48Å; R114-D118 VanDerWaalsContact O-CG 3.25Å; R114-D118 PolarHBondContact O-N 3.49Å; D118-S121 PolarHBondContact O-N 3.48Å; D118-D122 WeakPolarHBondContact O-CB 3.44Å; D118-D122 PolarHBondContact O-N 3.26Å
119R80.4Confident68.9Low119 Ų11980.6 Ų80.645%0.44939%0.393SS..Hα-helixtrans-67.4-39177.6-73.1-59.9-167.1-159.70.9113.5E91 R115 L116 D117 D122 T123E91-R119 HydrophobicContact CB-CG 4.32Å; E91-R119 HydrophobicContact CG-CG 4.37Å; E91-R119 IonicContact OE1-NE 2.69Å; E91-R119 IonicContact OE2-NE 2.86Å; R115-R119 WeakPolarHBondContact O-CB 3.32Å; R115-R119 VanDerWaalsContact O-CG 3.28Å; R115-R119 WeakPolarHBondContact O-CG 3.48Å; R115-R119 PolarHBondContact O-N 3.36Å; R115-R119 VanDerWaalsContact O-N 3.11Å; L116-R119 PolarHBondContact O-N 3.21Å; D117-R119 PolarHBondContact O-N 3.23Å; R119-D122 IonicContact NH1-OD2 2.71Å; R119-T123 WeakPolarHBondContact O-CB 3.38Å; R119-T123 PolarHBondContact O-N 3.44Å; R119-T123 PolarHBondContact O-OG1 2.66Å
120M74.9Confident66.6Low60 Ų6082.3 Ų82.330%0.29640%0.403SS..Hα-helixtrans-67.2-39.2175.2-79-164.8-178.900111.1L92 Y95 L116 D117 T123 Y124L92-M120 HydrophobicContact CD2-CG 4.17Å; Y95-M120 HydrophobicContact CD1-CE 3.52Å; Y95-M120 HydrophobicContact CE1-CE 3.15Å; Y95-M120 HydrophobicContact CE2-CE 4.43Å; Y95-M120 HydrophobicContact CG-CE 4.28Å; L116-M120 HydrophobicContact CD1-CE 4.11Å; L116-M120 HydrophobicContact CD1-CG 4.47Å; L116-M120 HydrophobicContact CD2-CE 4.2Å; L116-M120 HydrophobicContact CG-CE 4.08Å; L116-M120 HydrophobicContact CG-CG 4.47Å; L116-M120 WeakPolarHBondContact O-CB 3.34Å; L116-M120 WeakPolarHBondContact O-CG 3.36Å; L116-M120 PolarHBondContact O-N 2.87Å; D117-M120 PolarHBondContact O-N 3.06Å; M120-T123 CarbonylContact O-C 3.6Å; M120-T123 WeakPolarHBondContact O-CB 3.45Å; M120-T123 PolarHBondContact O-N 3.12Å; M120-Y124 WeakPolarHBondContact O-CB 3.4Å; M120-Y124 PolarHBondContact O-N 2.99Å
121S65.8Low64.2Low66 Ų6679.7 Ų79.746%0.46240%0.397SS..Hα-helixtrans-66.7-44175.9-175.40000112.1D117 D118 T123 Y124 T125D117-S121 VanDerWaalsContact O-CB 3.23Å; D117-S121 WeakPolarHBondContact O-CB 3.28Å; D117-S121 PolarHBondContact O-N 3.04Å; D118-S121 PolarHBondContact O-N 3.48Å; S121-T123 PolarHBondContact O-N 3.35Å; S121-Y124 PolarHBondContact O-N 3.27Å; S121-T125 WeakPolarHBondContact O-CB 3.15Å; S121-T125 WeakPolarHBondContact O-CG2 3.12Å; S121-T125 PolarHBondContact O-N 2.82Å; S121-T125 PolarHBondContact O-OG1 2.9Å
122D63.5Low61.7Low69 Ų6980.1 Ų80.137%0.36940%0.399SS..Hα-helixtrans-57-41.5171.1-78-16.2000110.6D118 R119 T125 F126D118-D122 WeakPolarHBondContact O-CB 3.44Å; D118-D122 PolarHBondContact O-N 3.26Å; R119-D122 IonicContact NH1-OD2 2.71Å; D122-T125 WeakPolarHBondContact CA-OG1 3.16Å; D122-T125 PolarHBondContact O-OG1 3.33Å; D122-F126 WeakPolarHBondContact O-CB 3.48Å; D122-F126 PolarHBondContact O-N 3.2Å
123T57.7Low59.2Low46 Ų4682.3 Ų82.328%0.28242%0.423SS..Hα-helixtrans-70.2-43.4178.2-56.40000111.7R119 M120 S121 F126 Y127R119-T123 WeakPolarHBondContact O-CB 3.38Å; R119-T123 PolarHBondContact O-N 3.44Å; R119-T123 PolarHBondContact O-OG1 2.66Å; M120-T123 CarbonylContact O-C 3.6Å; M120-T123 WeakPolarHBondContact O-CB 3.45Å; M120-T123 PolarHBondContact O-N 3.12Å; S121-T123 PolarHBondContact O-N 3.35Å; T123-F126 WeakPolarHBondContact O-CB 3.19Å; T123-F126 PolarHBondContact O-N 2.94Å; T123-Y127 HydrophobicContact CG2-CD2 3.56Å; T123-Y127 HydrophobicContact CG2-CE2 3.45Å; T123-Y127 VanDerWaalsContact CG2-CE2 3.45Å; T123-Y127 WeakPolarHBondContact O-CD2 3.48Å; T123-Y127 PolarHBondContact O-N 3.3Å
124Y48.7Very low56.6Low151 Ų15184.3 Ų84.359%0.59244%0.439SS*.Hα-helixtrans-66.6-41.4178.3-112.1-86.7000111.5M120 S121 F126 Y127 S128M120-Y124 WeakPolarHBondContact O-CB 3.4Å; M120-Y124 PolarHBondContact O-N 2.99Å; S121-Y124 PolarHBondContact O-N 3.27Å; Y124-F126 VanDerWaalsContact C-N 3.31Å; Y124-Y127 PolarHBondContact O-N 3.28Å; Y124-S128 WeakPolarHBondContact O-CA 3.06Å; Y124-S128 WeakPolarHBondContact O-CB 3.45Å; Y124-S128 PolarHBondContact O-N 3.11Å; Y124-S128 PolarHBondContact O-OG 2.84Å
125T46.8Very low54Low83 Ų8385 Ų8551%0.50945%0.453SS..Hα-helixtrans-65.6-36.3172.949.50000111.4S121 D122 A129S121-T125 WeakPolarHBondContact O-CB 3.15Å; S121-T125 WeakPolarHBondContact O-CG2 3.12Å; S121-T125 PolarHBondContact O-N 2.82Å; S121-T125 PolarHBondContact O-OG1 2.9Å; D122-T125 WeakPolarHBondContact CA-OG1 3.16Å; D122-T125 PolarHBondContact O-OG1 3.33Å; T125-A129 WeakPolarHBondContact O-CB 3.16Å; T125-A129 PolarHBondContact O-N 2.99Å; T125-A129 VanDerWaalsContact O-N 3.11Å
126F42.8Very low51.3Low48 Ų4882 Ų8221%0.21146%0.459CS..Hα-helixtrans-64.3-41.1174.4-172.7-94000113.2D122 T123 Y124 R422D122-F126 WeakPolarHBondContact O-CB 3.48Å; D122-F126 PolarHBondContact O-N 3.2Å; T123-F126 WeakPolarHBondContact O-CB 3.19Å; T123-F126 PolarHBondContact O-N 2.94Å; Y124-F126 VanDerWaalsContact C-N 3.31Å; F126-R422 HydrophobicContact CE2-CB 4.39Å; F126-R422 HydrophobicContact CE2-CG 4.38Å; F126-R422 HydrophobicContact CZ-CG 4.44Å
127Y38.3Very low48.8Very low147 Ų14793.4 Ų93.458%0.57650%0.502SS*.Hα-helixtrans-83.9-38177.7-75.1-71.3000113.5T123 Y124 A129 D130 E131T123-Y127 HydrophobicContact CG2-CD2 3.56Å; T123-Y127 HydrophobicContact CG2-CE2 3.45Å; T123-Y127 VanDerWaalsContact CG2-CE2 3.45Å; T123-Y127 WeakPolarHBondContact O-CD2 3.48Å; T123-Y127 PolarHBondContact O-N 3.3Å; Y124-Y127 PolarHBondContact O-N 3.28Å; Y127-A129 VanDerWaalsContact C-N 3.32Å; Y127-A129 PolarHBondContact O-N 2.97Å; Y127-D130 PolarHBondContact O-N 3.26Å; Y127-E131 PolarHBondContact O-N 3.43Å
128S33Very low46.3Very low64 Ų6497 Ų9745%0.44852%0.521SS..Hα-helixtrans-73.7-23-178.3-49.90000112.9Y124 D130Y124-S128 WeakPolarHBondContact O-CA 3.06Å; Y124-S128 WeakPolarHBondContact O-CB 3.45Å; Y124-S128 PolarHBondContact O-N 3.11Å; Y124-S128 PolarHBondContact O-OG 2.84Å; S128-D130 VanDerWaalsContact C-N 3.27Å
129A43.9Very low44.1Very low68 Ų68101.6 Ų101.656%0.56254%0.54SS*.THydrogen-bonded Turntrans-71.8-20.9173.200000113T125 Y127T125-A129 WeakPolarHBondContact O-CB 3.16Å; T125-A129 PolarHBondContact O-N 2.99Å; T125-A129 VanDerWaalsContact O-N 3.11Å; Y127-A129 VanDerWaalsContact C-N 3.32Å; Y127-A129 PolarHBondContact O-N 2.97Å
130D41.7Very low41.7Very low69 Ų69100.7 Ų100.737%0.36956%0.558SS.*THydrogen-bonded Turntrans-111.3-17.2-177.5-81.2-2.9000114.8Y127 S128 R422Y127-D130 PolarHBondContact O-N 3.26Å; S128-D130 VanDerWaalsContact C-N 3.27Å; D130-R422 IonicContact OD1-CZ 3.18Å; D130-R422 IonicContact OD1-NH1 3.28Å; D130-R422 PolarHBondContact OD1-NH1 3.29Å; D130-R422 IonicContact OD1-NH2 3.31Å; D130-R422 PolarHBondContact OD1-NH2 3.34Å; D130-R422 IonicContact OD2-CZ 2.9Å; D130-R422 IonicContact OD2-NE 3.05Å; D130-R422 PolarHBondContact OD2-NE 3.38Å; D130-R422 IonicContact OD2-NH1 3.43Å; D130-R422 PolarHBondContact OD2-NH1 3.26Å; D130-R422 IonicContact OD2-NH2 3.53Å; D130-R422 PolarHBondContact OD2-NH2 3.25Å
131E34.4Very low39.3Very low113 Ų113109.1 Ų109.153%0.52859%0.587SS.*  trans-123.288.7177.1-84.3-81.4131.100111.7Y127 G133 V134Y127-E131 PolarHBondContact O-N 3.43Å; E131-G133 PolarHBondContact O-N 3.47Å; E131-V134 HydrophobicContact CB-CG2 4.15Å; E131-V134 HydrophobicContact CG-CG2 4.42Å; E131-V134 WeakPolarHBondContact OE2-CG2 3.38Å
132P34.2Very low37.8Very low70 Ų70112.4 Ų112.446%0.45561%0.606SS.*THydrogen-bonded Turntrans-72.180.7159.831-30.8000108.2
133G36.6Very low36.1Very low53 Ų53112 Ų11255%0.54662%0.619SS.*THydrogen-bonded Turntrans-176.3-23.8179.100000118.7E131 L135E131-G133 PolarHBondContact O-N 3.47Å; G133-L135 PolarHBondContact O-N 3.24Å
134V35Very low35Very low108 Ų108114.3 Ų114.366%0.65565%0.651SS**THydrogen-bonded Turntrans-86.8-3.2-165.5-175.40000114.8E131 G136E131-V134 HydrophobicContact CB-CG2 4.15Å; E131-V134 HydrophobicContact CG-CG2 4.42Å; E131-V134 WeakPolarHBondContact OE2-CG2 3.38Å; V134-G136 VanDerWaalsContact C-N 3.31Å; V134-G136 PolarHBondContact O-N 3.02Å
135L29.9Very low34.3Very low160 Ų160111.5 Ų111.584%0.83866%0.659SS**THydrogen-bonded Turntrans-92.319.8173-80.6165.7000114.2G133G133-L135 PolarHBondContact O-N 3.24Å
136G27.8Very low34.1Very low57 Ų57116.1 Ų116.159%0.58868%0.675SS**  trans-113.981.6162.100000109.5V134 D138V134-G136 VanDerWaalsContact C-N 3.31Å; V134-G136 PolarHBondContact O-N 3.02Å; G136-D138 PolarHBondContact O-N 2.61Å
137R31.8Very low34Very low244 Ų244116.4 Ų116.492%0.92169%0.686SS**  trans-70.480.7170.2-175.7176.2-177.1176.70.2108.6
138D28.5Very low34.6Very low156 Ų156111.5 Ų111.583%0.83468%0.676SS**  trans-92.2134.2155.6-84.8-30.4000108.7G136G136-D138 PolarHBondContact O-N 2.61Å
139E30.8Very low35.7Very low182 Ų182113.8 Ų113.885%0.8569%0.689SS**  trans-53.8139.1-166.1-62.8172.9116.700113.7R141E139-R141 PolarHBondContact O-N 2.95Å
140A29.9Very low36.5Very low101 Ų101114.4 Ų114.484%0.83569%0.69SS**  trans-54.9109.3166.800000110.2
141R25.1Very low37.8Very low237 Ų237120 Ų12089%0.89471%0.706SS**  trans-87.4117.7154.8-84.8-177.5163.8159.7-2.8108.3E139 G143E139-R141 PolarHBondContact O-N 2.95Å; R141-G143 PolarHBondContact O-N 3.11Å; R141-G143 VanDerWaalsContact O-N 3.15Å
142P34.4Very low39.6Very low134 Ų134121.4 Ų121.487%0.8771%0.706SS**  trans-76.4102.6172.130.4-27.9000107.7
143G27.4Very low41.5Very low62 Ų62125.7 Ų125.764%0.63971%0.713SS**  trans-164.1105.9175.900000109.6R141 A145R141-G143 PolarHBondContact O-N 3.11Å; R141-G143 VanDerWaalsContact O-N 3.15Å; G143-A145 PolarHBondContact O-N 3.44Å
144G34.8Very low43.5Very low93 Ų93126.4 Ų126.496%0.95971%0.705SS**  trans-56.1111.3172.900000110.2
145A34.3Very low45.4Very low92 Ų92124.2 Ų124.276%0.7669%0.687SS**  trans-119107.1163.700000106.4G143 A147G143-A145 PolarHBondContact O-N 3.44Å; A145-A147 PolarHBondContact O-N 2.75Å
146E41.5Very low47.7Very low181 Ų181125.4 Ų125.485%0.84668%0.68SS**  trans-48.9115.9170.8-68.9-179.5132.400109.2A148E146-A148 PolarHBondContact O-N 3.43Å
147A41.4Very low50Low53 Ų53124.8 Ų124.844%0.43866%0.663SS.*  trans-56.3118.1175.700000109.5A145 R152A145-A147 PolarHBondContact O-N 2.75Å; A147-R152 PolarHBondContact O-NE 3.5Å
148A50.2Low52.3Low45 Ų45116 Ų11637%0.37263%0.63SS.*  trans-46.5142.4-178.600000112.3E146 S150 R151 R152E146-A148 PolarHBondContact O-N 3.43Å; A148-S150 PolarHBondContact O-N 3.27Å; A148-R151 PolarHBondContact O-N 3.12Å; A148-R152 PolarHBondContact O-N 2.89Å
149P57.2Low54.5Low111 Ų111112.1 Ų112.172%0.72160%0.603SS**Hα-helixtrans-56.5-29.5-175.717.8-29.6000113.7R152 W153P149-R152 PolarHBondContact O-N 2.61Å; P149-W153 PolarHBondContact O-N 2.74Å; P149-W153 VanDerWaalsContact O-N 3.16Å
150S60.5Low56.8Low82 Ų82105 Ų10557%0.57357%0.572SS**Hα-helixtrans-64-37.2175.358.10000113.5A148 L154A148-S150 PolarHBondContact O-N 3.27Å; S150-L154 PolarHBondContact O-N 3.27Å; S150-L154 VanDerWaalsContact O-N 3.11Å
151R67.2Low59.2Low185 Ų185102.1 Ų102.170%0.69854%0.541SS*.Hα-helixtrans-69.5-37176.9-74.6-173.4173.2-171.5-1.4111.5A148 L154 E155A148-R151 PolarHBondContact O-N 3.12Å; R151-L154 PolarHBondContact O-N 2.97Å; R151-E155 WeakPolarHBondContact O-CB 3.48Å; R151-E155 PolarHBondContact O-N 3.45Å
152R72.2Confident61.6Low143 Ų14393.4 Ų93.454%0.5451%0.51SS..Hα-helixtrans-66-40.6176.9-62.4-177.5-172.9-172.3-1.7112.2A147 A148 P149 R156A147-R152 PolarHBondContact O-NE 3.5Å; A148-R152 PolarHBondContact O-N 2.89Å; P149-R152 PolarHBondContact O-N 2.61Å; R152-R156 WeakPolarHBondContact O-CB 3.46Å; R152-R156 WeakPolarHBondContact O-CG 3.45Å; R152-R156 PolarHBondContact O-N 3.17Å
153W75.2Confident63.2Low160 Ų16089.2 Ų89.261%0.60648%0.479SS*.Hα-helixtrans-67.3-42.9176.2176.786.9000112.3P149 E155 R156 M157P149-W153 PolarHBondContact O-N 2.74Å; P149-W153 VanDerWaalsContact O-N 3.16Å; W153-E155 VanDerWaalsContact C-N 3.35Å; W153-E155 PolarHBondContact O-N 3.3Å; W153-R156 PolarHBondContact O-N 2.99Å; W153-M157 HydrophobicContact CD2-CG 4.3Å; W153-M157 HydrophobicContact CD2-SD 4.09Å; W153-M157 VanDerWaalsContact CE2-SD 3.53Å; W153-M157 HydrophobicContact CE3-SD 4.13Å; W153-M157 HydrophobicContact CH2-SD 3.16Å; W153-M157 WeakPolarHBondContact CH2-SD 3.35Å; W153-M157 HydrophobicContact CZ2-CG 4.15Å; W153-M157 HydrophobicContact CZ2-SD 3.08Å; W153-M157 WeakPolarHBondContact CZ2-SD 3.48Å; W153-M157 HydrophobicContact CZ3-SD 3.69Å; W153-M157 PolarHBondContact O-N 3.28Å
154L78.8Confident65.3Low69 Ų6988.6 Ų88.636%0.36146%0.464SS..Hα-helixtrans-62.5-42.5177-158.995000111.4S150 R151 M157 R158 V242S150-L154 PolarHBondContact O-N 3.27Å; S150-L154 VanDerWaalsContact O-N 3.11Å; R151-L154 PolarHBondContact O-N 2.97Å; L154-M157 PolarHBondContact O-N 3.45Å; L154-R158 WeakPolarHBondContact O-CB 3.42Å; L154-R158 PolarHBondContact O-N 3.35Å; L154-V242 HydrophobicContact CG-CG1 4.5Å
155E75.1Confident66.8Low61 Ų6188.4 Ų88.429%0.28545%0.445SS..Hα-helixtrans-65.2-40176.5-153.591.5-13900111.3R151 W153 R158 R159 K244R151-E155 WeakPolarHBondContact O-CB 3.48Å; R151-E155 PolarHBondContact O-N 3.45Å; W153-E155 VanDerWaalsContact C-N 3.35Å; W153-E155 PolarHBondContact O-N 3.3Å; E155-R158 WeakPolarHBondContact O-CB 3.46Å; E155-R158 PolarHBondContact O-N 2.86Å; E155-R158 IonicContact OE1-CZ 3.65Å; E155-R158 IonicContact OE1-NE 3.55Å; E155-R158 PolarHBondContact OE1-NE 2.88Å; E155-R158 IonicContact OE1-NH2 3.16Å; E155-R158 PolarHBondContact OE1-NH2 2.72Å; E155-R159 WeakPolarHBondContact O-CG 3.4Å; E155-R159 PolarHBondContact O-N 3.29Å; E155-K244 WeakPolarHBondContact OE1-CE 3.42Å; E155-K244 IonicContact OE1-NZ 3.79Å; E155-K244 PolarHBondContact OE1-NZ 3.15Å; E155-K244 IonicContact OE2-NZ 2.64Å
156R77.1Confident68.6Low185 Ų18584.9 Ų84.970%0.69841%0.414SS*.Hα-helixtrans-61.2-50.1173.3-81.9-178-175.7162.41.1111.6R152 W153 R158 R159 T160R152-R156 WeakPolarHBondContact O-CB 3.46Å; R152-R156 WeakPolarHBondContact O-CG 3.45Å; R152-R156 PolarHBondContact O-N 3.17Å; W153-R156 PolarHBondContact O-N 2.99Å; R156-R158 VanDerWaalsContact C-N 3.26Å; R156-R158 PolarHBondContact O-N 3.06Å; R156-R159 PolarHBondContact O-N 2.9Å; R156-T160 PolarHBondContact O-N 2.9Å; R156-T160 PolarHBondContact O-OG1 2.86Å
157M77.5Confident70.5Confident44 Ų4478.3 Ų78.322%0.21739%0.388CS..Hα-helixtrans-58.8-39.1176-80.4-163.569.700112.3W153 L154 T160 F161 V238 V242W153-M157 HydrophobicContact CD2-CG 4.3Å; W153-M157 HydrophobicContact CD2-SD 4.09Å; W153-M157 VanDerWaalsContact CE2-SD 3.53Å; W153-M157 HydrophobicContact CE3-SD 4.13Å; W153-M157 HydrophobicContact CH2-SD 3.16Å; W153-M157 WeakPolarHBondContact CH2-SD 3.35Å; W153-M157 HydrophobicContact CZ2-CG 4.15Å; W153-M157 HydrophobicContact CZ2-SD 3.08Å; W153-M157 WeakPolarHBondContact CZ2-SD 3.48Å; W153-M157 HydrophobicContact CZ3-SD 3.69Å; W153-M157 PolarHBondContact O-N 3.28Å; L154-M157 PolarHBondContact O-N 3.45Å; M157-T160 PolarHBondContact O-N 2.96Å; M157-F161 HydrophobicContact CE-CE2 4.16Å; M157-F161 PolarHBondContact O-N 3.16Å; M157-V238 HydrophobicContact CE-CG1 3.95Å; M157-V242 HydrophobicContact CB-CG1 4.37Å; M157-V242 HydrophobicContact CB-CG2 4.29Å; M157-V242 HydrophobicContact CE-CG2 4.34Å
158R80.4Confident72.4Confident59 Ų5982.1 Ų82.122%0.22340%0.4CS..Hα-helixtrans-58.6-51.5176.8-167.917174.298.5-7110.6L154 E155 R156 T160 F161 E162 V242L154-R158 WeakPolarHBondContact O-CB 3.42Å; L154-R158 PolarHBondContact O-N 3.35Å; E155-R158 WeakPolarHBondContact O-CB 3.46Å; E155-R158 PolarHBondContact O-N 2.86Å; E155-R158 IonicContact OE1-CZ 3.65Å; E155-R158 IonicContact OE1-NE 3.55Å; E155-R158 PolarHBondContact OE1-NE 2.88Å; E155-R158 IonicContact OE1-NH2 3.16Å; E155-R158 PolarHBondContact OE1-NH2 2.72Å; R156-R158 VanDerWaalsContact C-N 3.26Å; R156-R158 PolarHBondContact O-N 3.06Å; R158-T160 VanDerWaalsContact C-N 3.28Å; R158-T160 PolarHBondContact O-N 3.24Å; R158-F161 PolarHBondContact O-N 3.11Å; R158-E162 HydrophobicContact CG-CG 4.16Å; R158-E162 VanDerWaalsContact CG-OE2 3.28Å; R158-E162 WeakPolarHBondContact CG-OE2 3.45Å; R158-E162 IonicContact CZ-OE2 2.73Å; R158-E162 IonicContact NH1-OE2 2.93Å; R158-E162 PolarHBondContact NH1-OE2 2.84Å; R158-E162 WeakPolarHBondContact O-CB 3.22Å; R158-E162 WeakPolarHBondContact O-CG 3.36Å; R158-E162 PolarHBondContact O-N 2.91Å; R158-V242 HydrophobicContact CB-CG1 3.34Å; R158-V242 HydrophobicContact CG-CG1 3.85Å
159R72.6Confident73.9Confident75 Ų7582.4 Ų82.428%0.28340%0.403SS..Hα-helixtrans-59.9-37.6176.9-69.7-178.4-175.7-173.20.3111.8E155 R156 F161 E163 S166 E433E155-R159 WeakPolarHBondContact O-CG 3.4Å; E155-R159 PolarHBondContact O-N 3.29Å; R156-R159 PolarHBondContact O-N 2.9Å; R159-F161 PolarHBondContact O-N 3.14Å; R159-E163 WeakPolarHBondContact O-CB 3.42Å; R159-E163 PolarHBondContact O-N 2.76Å; R159-E163 VanDerWaalsContact O-N 3.12Å; R159-S166 PolarHBondContact O-OG 2.85Å; R159-E433 IonicContact CZ-OE2 2.82Å; R159-E433 IonicContact NH1-OE2 3.76Å; R159-E433 PolarHBondContact NH1-OE2 2.81Å; R159-E433 IonicContact NH2-OE2 3.57Å
160T80.7Confident75.2Confident32 Ų3277.2 Ų77.220%0.19637%0.369CS..Hα-helixtrans-66.9-36.6178.6-47.60000113R156 M157 R158 A169 A170 L173R156-T160 PolarHBondContact O-N 2.9Å; R156-T160 PolarHBondContact O-OG1 2.86Å; M157-T160 PolarHBondContact O-N 2.96Å; R158-T160 VanDerWaalsContact C-N 3.28Å; R158-T160 PolarHBondContact O-N 3.24Å; T160-A169 HydrophobicContact CG2-CB 4.29Å; T160-A170 HydrophobicContact CG2-CB 3.9Å; T160-A170 WeakPolarHBondContact O-CB 3.4Å; T160-L173 HydrophobicContact CG2-CD1 3.97Å
161F79.8Confident76.3Confident41 Ų4178.2 Ų78.218%0.1837%0.365CS..Hα-helixtrans-94.1-24.4-176.7-84.9-93.3000114.8M157 R158 R159 L173 V238 R239M157-F161 HydrophobicContact CE-CE2 4.16Å; M157-F161 PolarHBondContact O-N 3.16Å; R158-F161 PolarHBondContact O-N 3.11Å; R159-F161 PolarHBondContact O-N 3.14Å; F161-L173 HydrophobicContact CE1-CD1 4.44Å; F161-L173 HydrophobicContact CE2-CD1 4.09Å; F161-L173 HydrophobicContact CZ-CD1 3.99Å; F161-V238 HydrophobicContact CD1-CG1 4.05Å; F161-V238 HydrophobicContact CD2-CG1 3.87Å; F161-V238 HydrophobicContact CE1-CB 4.22Å; F161-V238 HydrophobicContact CE1-CG1 3.88Å; F161-V238 HydrophobicContact CE2-CG1 3.7Å; F161-V238 HydrophobicContact CG-CG1 4.05Å; F161-V238 HydrophobicContact CZ-CB 4.37Å; F161-V238 HydrophobicContact CZ-CG1 3.7Å; F161-R239 HydrophobicContact CB-CG 4.04Å; F161-R239 HydrophobicContact CD1-CG 4.42Å; F161-R239 PolarHBondContact O-NE 3.33Å; F161-R239 PolarHBondContact O-NH2 3.13Å; F161-R239 VanDerWaalsContact O-NH2 3.15Å
162E74.8Confident77.4Confident54 Ų5473.8 Ų73.825%0.25235%0.354SS..Hα-helixtrans-86.8-35.6176.7-69.1-168.6145.900112.2R158R158-E162 HydrophobicContact CG-CG 4.16Å; R158-E162 VanDerWaalsContact CG-OE2 3.28Å; R158-E162 WeakPolarHBondContact CG-OE2 3.45Å; R158-E162 IonicContact CZ-OE2 2.73Å; R158-E162 IonicContact NH1-OE2 2.93Å; R158-E162 PolarHBondContact NH1-OE2 2.84Å; R158-E162 WeakPolarHBondContact O-CB 3.22Å; R158-E162 WeakPolarHBondContact O-CG 3.36Å; R158-E162 PolarHBondContact O-N 2.91Å
163E69.4Low78.1Confident46 Ų4669.3 Ų69.322%0.21534%0.341CS..  trans-119.7106.9-171.5-69.5172.9-174.900111.7R159 T165 S166 A170 Y426R159-E163 WeakPolarHBondContact O-CB 3.42Å; R159-E163 PolarHBondContact O-N 2.76Å; R159-E163 VanDerWaalsContact O-N 3.12Å; E163-T165 PolarHBondContact O-N 3.33Å; E163-T165 VanDerWaalsContact O-N 3.14Å; E163-S166 WeakPolarHBondContact O-CB 3.34Å; E163-S166 PolarHBondContact O-N 2.82Å; E163-S166 PolarHBondContact O-OG 3.45Å; E163-A170 WeakPolarHBondContact O-CB 3.49Å; E163-Y426 PolarHBondContact OE1-OH 2.76Å; E163-Y426 WeakPolarHBondContact OE2-CE1 3.41Å
164P71.2Confident78.7Confident50 Ų5062.5 Ų62.533%0.32532%0.318SS..THydrogen-bonded Turntrans-65.4-19.8-176.326.1-34000113.4A170 Q171 A174P164-A170 CarbonylContact O-C 3.59Å; P164-Q171 WeakPolarHBondContact O-CA 3.32Å; P164-Q171 WeakPolarHBondContact O-CG 3.23Å; P164-Q171 PolarHBondContact O-N 2.93Å; P164-A174 HydrophobicContact CB-CB 3.6Å
165T66.6Low79.1Confident89 Ų8962.2 Ų62.255%0.54632%0.322SS..THydrogen-bonded Turntrans-95.41.1-179.351.70000114E163E163-T165 PolarHBondContact O-N 3.33Å; E163-T165 VanDerWaalsContact O-N 3.14Å
166S72.3Confident79.9Confident18 Ų1861.6 Ų61.613%0.12632%0.322CS..SBendtrans-74.1-29-171.366.10000114R159 E163 A170 L430R159-S166 PolarHBondContact O-OG 2.85Å; E163-S166 WeakPolarHBondContact O-CB 3.34Å; E163-S166 PolarHBondContact O-N 2.82Å; E163-S166 PolarHBondContact O-OG 3.45Å; S166-A170 WeakPolarHBondContact OG-CB 3.27Å; S166-L430 WeakPolarHBondContact O-CD2 3.32Å
167S80.3Confident80.5Confident42 Ų4252.9 Ų52.929%0.29429%0.29SS..  trans-158.5162.4-178.758.10000111.3A169 A170 Q171S167-A169 PolarHBondContact O-N 2.77Å; S167-A170 WeakPolarHBondContact O-CB 3.31Å; S167-A170 PolarHBondContact O-N 2.79Å; S167-A170 WeakPolarHBondContact OG-CB 3.39Å; S167-A170 PolarHBondContact OG-N 2.95Å; S167-A170 VanDerWaalsContact OG-N 3.08Å; S167-Q171 WeakPolarHBondContact O-CG 3.14Å; S167-Q171 PolarHBondContact O-N 3.26Å
168L80.9Confident81.2Confident133 Ų13352.6 Ų52.670%0.69629%0.291SS*.Hα-helixtrans-55.3-40.4171.8-170.6105.7000111.2A170 Q171 I172L168-A170 PolarHBondContact O-N 2.93Å; L168-Q171 PolarHBondContact O-N 3.48Å; L168-I172 HydrophobicContact CD2-CD1 3.89Å; L168-I172 HydrophobicContact CG-CD1 4.19Å; L168-I172 VanDerWaalsContact O-CG1 3.31Å; L168-I172 WeakPolarHBondContact O-CG1 3.38Å; L168-I172 PolarHBondContact O-N 3.18Å
169A82.6Confident81.7Confident52 Ų5253.9 Ų53.943%0.4331%0.305SS..Hα-helixtrans-62.2-41.5175.300000112.3T160 S167 Q171 I172 L173T160-A169 HydrophobicContact CG2-CB 4.29Å; S167-A169 PolarHBondContact O-N 2.77Å; A169-Q171 VanDerWaalsContact C-N 3.35Å; A169-I172 PolarHBondContact O-N 2.87Å; A169-L173 WeakPolarHBondContact O-CB 3.4Å; A169-L173 WeakPolarHBondContact O-CG 3.31Å; A169-L173 PolarHBondContact O-N 3.27Å
170A83.1Confident82.7Confident1 Ų152.6 Ų52.61%0.00830%0.301CS..Hα-helixtrans-63.7-40175.200000112T160 E163 P164 S166 S167 L168 L173 A174T160-A170 HydrophobicContact CG2-CB 3.9Å; T160-A170 WeakPolarHBondContact O-CB 3.4Å; E163-A170 WeakPolarHBondContact O-CB 3.49Å; P164-A170 CarbonylContact O-C 3.59Å; S166-A170 WeakPolarHBondContact OG-CB 3.27Å; S167-A170 WeakPolarHBondContact O-CB 3.31Å; S167-A170 PolarHBondContact O-N 2.79Å; S167-A170 WeakPolarHBondContact OG-CB 3.39Å; S167-A170 PolarHBondContact OG-N 2.95Å; S167-A170 VanDerWaalsContact OG-N 3.08Å; L168-A170 PolarHBondContact O-N 2.93Å; A170-L173 PolarHBondContact O-N 3.41Å; A170-A174 VanDerWaalsContact O-CB 3.24Å; A170-A174 WeakPolarHBondContact O-CB 3.41Å; A170-A174 PolarHBondContact O-N 3.48Å
171Q85.1Confident83.1Confident104 Ų10451 Ų5149%0.48629%0.292SS..Hα-helixtrans-64.4-42176.6-69.3176.72.200111.6P164 S167 L168 A169 A174 S175P164-Q171 WeakPolarHBondContact O-CA 3.32Å; P164-Q171 WeakPolarHBondContact O-CG 3.23Å; P164-Q171 PolarHBondContact O-N 2.93Å; S167-Q171 WeakPolarHBondContact O-CG 3.14Å; S167-Q171 PolarHBondContact O-N 3.26Å; L168-Q171 PolarHBondContact O-N 3.48Å; A169-Q171 VanDerWaalsContact C-N 3.35Å; Q171-A174 PolarHBondContact O-N 3.18Å; Q171-S175 WeakPolarHBondContact O-CB 3.3Å; Q171-S175 PolarHBondContact O-N 3.4Å; Q171-S175 PolarHBondContact O-OG 3.46Å
172I88.9Confident83.7Confident91 Ų9153.5 Ų53.547%0.46731%0.306SS..Hα-helixtrans-64.8-46.5175.4-66.5165.8000110.6L168 A169 A174 S175 V176L168-I172 HydrophobicContact CD2-CD1 3.89Å; L168-I172 HydrophobicContact CG-CD1 4.19Å; L168-I172 VanDerWaalsContact O-CG1 3.31Å; L168-I172 WeakPolarHBondContact O-CG1 3.38Å; L168-I172 PolarHBondContact O-N 3.18Å; A169-I172 PolarHBondContact O-N 2.87Å; I172-A174 VanDerWaalsContact C-N 3.31Å; I172-A174 PolarHBondContact O-N 3.49Å; I172-S175 PolarHBondContact O-N 2.96Å; I172-S175 PolarHBondContact O-OG 3.16Å; I172-V176 HydrophobicContact CG2-CG2 4.37Å; I172-V176 WeakPolarHBondContact O-CB 3.48Å; I172-V176 VanDerWaalsContact O-CG2 3.23Å; I172-V176 WeakPolarHBondContact O-CG2 3.36Å; I172-V176 PolarHBondContact O-N 3.33Å
173L87.8Confident84.4Confident50 Ų5053.6 Ų53.626%0.26231%0.31SS..Hα-helixtrans-63.1-38.9178-74.2172.5000112.2T160 F161 A169 A170 S177 W231T160-L173 HydrophobicContact CG2-CD1 3.97Å; F161-L173 HydrophobicContact CE1-CD1 4.44Å; F161-L173 HydrophobicContact CE2-CD1 4.09Å; F161-L173 HydrophobicContact CZ-CD1 3.99Å; A169-L173 WeakPolarHBondContact O-CB 3.4Å; A169-L173 WeakPolarHBondContact O-CG 3.31Å; A169-L173 PolarHBondContact O-N 3.27Å; A170-L173 PolarHBondContact O-N 3.41Å; L173-S177 WeakPolarHBondContact O-CB 3.47Å; L173-S177 PolarHBondContact O-N 2.81Å; L173-S177 PolarHBondContact O-OG 2.75Å; L173-W231 HydrophobicContact CD2-CH2 3.92Å; L173-W231 HydrophobicContact CD2-CZ2 4.27Å
174A86.9Confident85.2Confident16 Ų1651.6 Ų51.613%0.13230%0.301CS..Hα-helixtrans-66.2-44175.500000111.8P164 A170 Q171 I172 S177 V178P164-A174 HydrophobicContact CB-CB 3.6Å; A170-A174 VanDerWaalsContact O-CB 3.24Å; A170-A174 WeakPolarHBondContact O-CB 3.41Å; A170-A174 PolarHBondContact O-N 3.48Å; Q171-A174 PolarHBondContact O-N 3.18Å; I172-A174 VanDerWaalsContact C-N 3.31Å; I172-A174 PolarHBondContact O-N 3.49Å; A174-S177 PolarHBondContact O-N 3.33Å; A174-V178 WeakPolarHBondContact O-CG2 3.41Å; A174-V178 PolarHBondContact O-N 2.99Å
175S88.7Confident86Confident64 Ų6452.7 Ų52.745%0.44830%0.303SS..Hα-helixtrans-64.3-43178.169.40000111.6Q171 I172 S177 V178 V179Q171-S175 WeakPolarHBondContact O-CB 3.3Å; Q171-S175 PolarHBondContact O-N 3.4Å; Q171-S175 PolarHBondContact O-OG 3.46Å; I172-S175 PolarHBondContact O-N 2.96Å; I172-S175 PolarHBondContact O-OG 3.16Å; S175-S177 VanDerWaalsContact C-N 3.34Å; S175-S177 PolarHBondContact O-N 3.17Å; S175-V178 PolarHBondContact O-N 3.4Å; S175-V179 WeakPolarHBondContact O-CG2 3.49Å; S175-V179 PolarHBondContact O-N 3.46Å
176V91.6Very high87.1Confident47 Ų4752.9 Ų52.929%0.28530%0.304SS..Hα-helixtrans-59.4-44.6174171.10000111I172 V178 V179 F180 W231I172-V176 HydrophobicContact CG2-CG2 4.37Å; I172-V176 WeakPolarHBondContact O-CB 3.48Å; I172-V176 VanDerWaalsContact O-CG2 3.23Å; I172-V176 WeakPolarHBondContact O-CG2 3.36Å; I172-V176 PolarHBondContact O-N 3.33Å; V176-V178 VanDerWaalsContact C-N 3.33Å; V176-V178 PolarHBondContact O-N 2.92Å; V176-V179 WeakPolarHBondContact O-CB 3.38Å; V176-V179 PolarHBondContact O-N 3Å; V176-V179 VanDerWaalsContact O-N 3.17Å; V176-F180 HydrophobicContact CG1-CD2 3.66Å; V176-F180 HydrophobicContact CG1-CE2 3.47Å; V176-F180 VanDerWaalsContact CG1-CE2 3.47Å; V176-F180 VanDerWaalsContact O-CD2 3.26Å; V176-F180 WeakPolarHBondContact O-CD2 3.24Å; V176-F180 PolarHBondContact O-N 2.87Å; V176-W231 HydrophobicContact CB-CZ2 4.19Å; V176-W231 HydrophobicContact CG1-CH2 3.73Å; V176-W231 HydrophobicContact CG1-CZ2 3.51Å; V176-W231 HydrophobicContact CG1-CZ3 4.33Å
177S90.3Very high87.6Confident3 Ų353.3 Ų53.32%0.02131%0.305CS..Hα-helixtrans-62.6-39.3178.6-580000112.1L173 A174 S175 F180 V181 W231L173-S177 WeakPolarHBondContact O-CB 3.47Å; L173-S177 PolarHBondContact O-N 2.81Å; L173-S177 PolarHBondContact O-OG 2.75Å; A174-S177 PolarHBondContact O-N 3.33Å; S175-S177 VanDerWaalsContact C-N 3.34Å; S175-S177 PolarHBondContact O-N 3.17Å; S177-F180 PolarHBondContact O-N 3.38Å; S177-V181 WeakPolarHBondContact O-CG2 3.4Å; S177-V181 PolarHBondContact O-N 2.95Å; S177-V181 VanDerWaalsContact O-N 3.11Å; S177-W231 PolarHBondContact OG-NE1 3.09Å
178V90.6Very high87.7Confident38 Ų3852.2 Ų52.223%0.2330%0.296CS..Hα-helixtrans-63.9-43173.5171.80000111.4A174 S175 V176 F180 V181 I182 H305A174-V178 WeakPolarHBondContact O-CG2 3.41Å; A174-V178 PolarHBondContact O-N 2.99Å; S175-V178 PolarHBondContact O-N 3.4Å; V176-V178 VanDerWaalsContact C-N 3.33Å; V176-V178 PolarHBondContact O-N 2.92Å; V178-F180 PolarHBondContact O-N 3.26Å; V178-V181 PolarHBondContact O-N 3.26Å; V178-I182 HydrophobicContact CG1-CD1 3.89Å; V178-I182 HydrophobicContact CG1-CG1 4.45Å; V178-I182 WeakPolarHBondContact O-CG1 3.39Å; V178-I182 PolarHBondContact O-N 3.08Å; V178-H305 HydrophobicContact CG2-CB 3.57Å
179V92.5Very high87.9Confident85 Ų8549 Ų4952%0.51528%0.284SS..Hα-helixtrans-59.5-45.9176.4171.20000111S175 V176 V181 I182 V183S175-V179 WeakPolarHBondContact O-CG2 3.49Å; S175-V179 PolarHBondContact O-N 3.46Å; V176-V179 WeakPolarHBondContact O-CB 3.38Å; V176-V179 PolarHBondContact O-N 3Å; V176-V179 VanDerWaalsContact O-N 3.17Å; V179-V181 VanDerWaalsContact C-N 3.3Å; V179-V181 PolarHBondContact O-N 3.49Å; V179-I182 PolarHBondContact O-N 3.05Å; V179-V183 HydrophobicContact CG1-CG2 4.26Å; V179-V183 WeakPolarHBondContact O-CG2 3.38Å; V179-V183 PolarHBondContact O-N 2.96Å
180F91.9Very high87.9Confident48 Ų4847.4 Ų47.421%0.21127%0.271CS..Hα-helixtrans-60.3-39176.5-84-68.9000112.7V176 S177 V178 S184 I227 C228 W231 F232V176-F180 HydrophobicContact CG1-CD2 3.66Å; V176-F180 HydrophobicContact CG1-CE2 3.47Å; V176-F180 VanDerWaalsContact CG1-CE2 3.47Å; V176-F180 VanDerWaalsContact O-CD2 3.26Å; V176-F180 WeakPolarHBondContact O-CD2 3.24Å; V176-F180 PolarHBondContact O-N 2.87Å; S177-F180 PolarHBondContact O-N 3.38Å; V178-F180 PolarHBondContact O-N 3.26Å; F180-S184 VanDerWaalsContact O-CB 3.23Å; F180-S184 WeakPolarHBondContact O-CB 3.35Å; F180-S184 PolarHBondContact O-N 3.07Å; F180-S184 PolarHBondContact O-OG 3.28Å; F180-I227 HydrophobicContact CE1-CG2 3.87Å; F180-I227 HydrophobicContact CZ-CG2 4.39Å; F180-C228 HydrophobicContact CD1-CB 4.48Å; F180-W231 HydrophobicContact CD1-CB 4.46Å; F180-W231 HydrophobicContact CD2-CB 4.2Å; F180-W231 AromaticContact CD2-CD1 3.55Å; F180-W231 AromaticContact CD2-CD2 3.79Å; F180-W231 HydrophobicContact CD2-CD2 3.79Å; F180-W231 AromaticContact CD2-CE2 3.94Å; F180-W231 AromaticContact CD2-CG 3.57Å; F180-W231 HydrophobicContact CD2-CG 3.57Å; F180-W231 AromaticContact CD2-NE1 3.8Å; F180-W231 HydrophobicContact CE2-CB 4.23Å; F180-W231 AromaticContact CE2-CD2 3.63Å; F180-W231 HydrophobicContact CE2-CD2 3.63Å; F180-W231 AromaticContact CE2-CE3 3.91Å; F180-W231 HydrophobicContact CE2-CE3 3.91Å; F180-W231 AromaticContact CE2-CG 3.75Å; F180-W231 HydrophobicContact CE2-CG 3.75Å; F180-W231 HydrophobicContact CG-CB 4.32Å; F180-W231 AromaticContact CG-CD1 3.95Å; F180-W231 HydrophobicContact CG-CG 4.06Å; F180-W231 HydrophobicContact CZ-CB 4.38Å; F180-W231 HydrophobicContact CZ-CD2 4.45Å; F180-W231 HydrophobicContact CZ-CG 4.38Å; F180-F232 HydrophobicContact CB-CE1 3.9Å; F180-F232 HydrophobicContact CB-CZ 4.26Å
181V90.7Very high87.6Confident0 Ų048.7 Ų48.70%028%0.28CS..Hα-helixtrans-64-45174.9177.50000111.1S177 V178 V179 S184 M185 F232 W298 K301 L302S177-V181 WeakPolarHBondContact O-CG2 3.4Å; S177-V181 PolarHBondContact O-N 2.95Å; S177-V181 VanDerWaalsContact O-N 3.11Å; V178-V181 PolarHBondContact O-N 3.26Å; V179-V181 VanDerWaalsContact C-N 3.3Å; V179-V181 PolarHBondContact O-N 3.49Å; V181-S184 PolarHBondContact O-N 3.16Å; V181-S184 PolarHBondContact O-OG 3.25Å; V181-M185 PolarHBondContact O-N 3.47Å; V181-F232 HydrophobicContact CB-CZ 4.45Å; V181-F232 HydrophobicContact CG2-CE1 3.82Å; V181-F232 HydrophobicContact CG2-CZ 3.67Å; V181-W298 WeakPolarHBondContact CG1-O 3.35Å; V181-K301 HydrophobicContact CG2-CB 4.37Å; V181-K301 HydrophobicContact CG2-CD 4.36Å; V181-K301 HydrophobicContact CG2-CG 4.5Å; V181-L302 HydrophobicContact CB-CD1 4.45Å; V181-L302 HydrophobicContact CG1-CD1 3.32Å; V181-L302 HydrophobicContact CG1-CG 3.91Å
182I90.7Very high87.3Confident92 Ų9247.9 Ų47.947%0.47228%0.282SS..Hα-helixtrans-61.7-48.7177.7-66.4168.1000111.1V178 V179 S184 M185 V186V178-I182 HydrophobicContact CG1-CD1 3.89Å; V178-I182 HydrophobicContact CG1-CG1 4.45Å; V178-I182 WeakPolarHBondContact O-CG1 3.39Å; V178-I182 PolarHBondContact O-N 3.08Å; V179-I182 PolarHBondContact O-N 3.05Å; I182-S184 VanDerWaalsContact C-N 3.28Å; I182-S184 PolarHBondContact O-N 2.97Å; I182-M185 WeakPolarHBondContact O-CB 3.35Å; I182-M185 PolarHBondContact O-N 3.47Å; I182-M185 VanDerWaalsContact O-N 3.13Å; I182-V186 WeakPolarHBondContact O-CG2 3.46Å; I182-V186 PolarHBondContact O-N 3.31Å
183V90.5Very high86.9Confident57 Ų5748.1 Ų48.135%0.34528%0.284SS..Hα-helixtrans-57.3-45.5177.1170.70000110.3V179 M185 V186 V187 I224V179-V183 HydrophobicContact CG1-CG2 4.26Å; V179-V183 WeakPolarHBondContact O-CG2 3.38Å; V179-V183 PolarHBondContact O-N 2.96Å; V183-M185 VanDerWaalsContact C-N 3.29Å; V183-M185 PolarHBondContact O-N 3.13Å; V183-V186 PolarHBondContact O-N 3.29Å; V183-V187 HydrophobicContact CG1-CG2 4.48Å; V183-V187 WeakPolarHBondContact O-CG2 3.21Å; V183-V187 PolarHBondContact O-N 3Å; V183-I224 HydrophobicContact CG1-CG2 3.76Å
184S87.1Confident86.4Confident4 Ų449.5 Ų49.53%0.02830%0.296CS..Hα-helixtrans-63.3-34.4179.381.80000113F180 V181 I182 L188 W298F180-S184 VanDerWaalsContact O-CB 3.23Å; F180-S184 WeakPolarHBondContact O-CB 3.35Å; F180-S184 PolarHBondContact O-N 3.07Å; F180-S184 PolarHBondContact O-OG 3.28Å; V181-S184 PolarHBondContact O-N 3.16Å; V181-S184 PolarHBondContact O-OG 3.25Å; I182-S184 VanDerWaalsContact C-N 3.28Å; I182-S184 PolarHBondContact O-N 2.97Å; S184-L188 WeakPolarHBondContact O-CB 3.38Å; S184-L188 PolarHBondContact O-N 2.63Å; S184-W298 VanDerWaalsContact CB-CE3 3.45Å
185M87.7Confident85.8Confident72 Ų7254.6 Ų54.636%0.35532%0.321SS..Hα-helixtrans-69.3-43.6175-177.359.6157.600111.7V181 I182 V183 V187 L188 C189 V299V181-M185 PolarHBondContact O-N 3.47Å; I182-M185 WeakPolarHBondContact O-CB 3.35Å; I182-M185 PolarHBondContact O-N 3.47Å; I182-M185 VanDerWaalsContact O-N 3.13Å; V183-M185 VanDerWaalsContact C-N 3.29Å; V183-M185 PolarHBondContact O-N 3.13Å; M185-V187 VanDerWaalsContact C-N 3.32Å; M185-V187 PolarHBondContact O-N 3.36Å; M185-L188 WeakPolarHBondContact O-CB 3.42Å; M185-L188 PolarHBondContact O-N 2.69Å; M185-L188 HydrophobicContact SD-CD2 4.35Å; M185-C189 PolarHBondContact O-N 2.92Å; M185-C189 PolarHBondContact O-SG 3.21Å; M185-C189 VanDerWaalsContact O-SG 3.35Å; M185-V299 HydrophobicContact CE-CG2 3.72Å; M185-V299 HydrophobicContact CG-CG2 4.32Å; M185-V299 HydrophobicContact SD-CG2 3.35Å; M185-V299 WeakPolarHBondContact SD-CG2 3.49Å
186V88.3Confident84.8Confident94 Ų9457.7 Ų57.757%0.5732%0.323SS*.Hα-helixtrans-61-44.1175.4173.40000110.5I182 V183 L188 C189 A190I182-V186 WeakPolarHBondContact O-CG2 3.46Å; I182-V186 PolarHBondContact O-N 3.31Å; V183-V186 PolarHBondContact O-N 3.29Å; V186-L188 VanDerWaalsContact C-N 3.34Å; V186-L188 PolarHBondContact O-N 2.67Å; V186-C189 PolarHBondContact O-N 3.19Å; V186-A190 WeakPolarHBondContact O-CB 3.44Å; V186-A190 PolarHBondContact O-N 3.33Å
187V84.1Confident83.6Confident26 Ų2663.8 Ų63.816%0.15834%0.341CS..Hα-helixtrans-63.3-40175.9173.20000111.4V183 M185 A190 S191 I224V183-V187 HydrophobicContact CG1-CG2 4.48Å; V183-V187 WeakPolarHBondContact O-CG2 3.21Å; V183-V187 PolarHBondContact O-N 3Å; M185-V187 VanDerWaalsContact C-N 3.32Å; M185-V187 PolarHBondContact O-N 3.36Å; V187-A190 PolarHBondContact O-N 3.5Å; V187-S191 WeakPolarHBondContact O-CB 3.36Å; V187-S191 PolarHBondContact O-N 2.84Å; V187-I224 HydrophobicContact CG2-CG2 3.88Å
188L82.2Confident82.4Confident20 Ų2067.7 Ų67.711%0.10536%0.361CS..Hα-helixtrans-60.4-50.5175.1179.961.9000111S184 M185 V186 A190 S191 T192 R295S184-L188 WeakPolarHBondContact O-CB 3.38Å; S184-L188 PolarHBondContact O-N 2.63Å; M185-L188 WeakPolarHBondContact O-CB 3.42Å; M185-L188 PolarHBondContact O-N 2.69Å; M185-L188 HydrophobicContact SD-CD2 4.35Å; V186-L188 VanDerWaalsContact C-N 3.34Å; V186-L188 PolarHBondContact O-N 2.67Å; L188-A190 PolarHBondContact O-N 2.64Å; L188-S191 PolarHBondContact O-N 3.41Å; L188-S191 PolarHBondContact O-OG 3.48Å; L188-T192 PolarHBondContact O-N 3.22Å; L188-R295 HydrophobicContact CD1-CB 4.05Å; L188-R295 HydrophobicContact CD2-CB 4.28Å
189C84.6Confident81Confident65 Ų6568.4 Ų68.444%0.43937%0.371SS..Hα-helixtrans-58.7-48176.3-67.80000111.4M185 V186 S191 T192M185-C189 PolarHBondContact O-N 2.92Å; M185-C189 PolarHBondContact O-SG 3.21Å; M185-C189 VanDerWaalsContact O-SG 3.35Å; V186-C189 PolarHBondContact O-N 3.19Å; C189-S191 VanDerWaalsContact C-N 3.27Å; C189-S191 PolarHBondContact O-N 3.24Å; C189-T192 PolarHBondContact O-N 2.71Å; C189-T192 PolarHBondContact O-OG1 3.14Å
190A83.6Confident79.4Confident18 Ų1865.3 Ų65.315%0.14935%0.354CS..Hα-helixtrans-58.6-39178.100000111.9V186 V187 L188 T192 L193 W196V186-A190 WeakPolarHBondContact O-CB 3.44Å; V186-A190 PolarHBondContact O-N 3.33Å; V187-A190 PolarHBondContact O-N 3.5Å; L188-A190 PolarHBondContact O-N 2.64Å; A190-T192 PolarHBondContact O-N 2.87Å; A190-T192 VanDerWaalsContact O-N 3.09Å; A190-L193 WeakPolarHBondContact O-CB 3.37Å; A190-L193 PolarHBondContact O-N 3.35Å; A190-W196 HydrophobicContact CB-CD2 4.21Å; A190-W196 HydrophobicContact CB-CG 4.46Å; A190-W196 VanDerWaalsContact O-CB 3.25Å; A190-W196 WeakPolarHBondContact O-CB 3.44Å
191S76.4Confident77.7Confident28 Ų2865.5 Ų65.520%0.19637%0.365CS..Hα-helixtrans-64.9-14.7178.879.60000114.5V187 L188 C189V187-S191 WeakPolarHBondContact O-CB 3.36Å; V187-S191 PolarHBondContact O-N 2.84Å; L188-S191 PolarHBondContact O-N 3.41Å; L188-S191 PolarHBondContact O-OG 3.48Å; C189-S191 VanDerWaalsContact C-N 3.27Å; C189-S191 PolarHBondContact O-N 3.24Å
192T79.2Confident76Confident88 Ų8870.7 Ų70.754%0.5439%0.393SS..Hα-helixtrans-93.2-13.9175.367.50000113.5L188 C189 A190L188-T192 PolarHBondContact O-N 3.22Å; C189-T192 PolarHBondContact O-N 2.71Å; C189-T192 PolarHBondContact O-OG1 3.14Å; A190-T192 PolarHBondContact O-N 2.87Å; A190-T192 VanDerWaalsContact O-N 3.09Å
193L80.7Confident74.3Confident96 Ų9671.2 Ų71.250%0.50340%0.396SS..  trans-72.6134.4-179.6-67.5173.1000111A190 D195 W196 R197A190-L193 WeakPolarHBondContact O-CB 3.37Å; A190-L193 PolarHBondContact O-N 3.35Å; L193-D195 VanDerWaalsContact C-N 3.35Å; L193-D195 PolarHBondContact O-N 3.08Å; L193-W196 HydrophobicContact CB-CB 4.03Å; L193-W196 PolarHBondContact O-N 3.16Å; L193-R197 PolarHBondContact O-N 3.46Å; L193-R197 VanDerWaalsContact O-N 3.08Å
194P76.6Confident72.4Confident78 Ų7876.4 Ų76.451%0.50641%0.409SS..Hα-helixtrans-62.7-41.4179.724.2-31.8000111.6W196 R197 N198P194-W196 VanDerWaalsContact C-N 3.32Å; P194-W196 PolarHBondContact O-N 3.31Å; P194-R197 WeakPolarHBondContact O-CB 3.38Å; P194-R197 PolarHBondContact O-N 3.44Å; P194-R197 VanDerWaalsContact O-N 3.12Å; P194-N198 WeakPolarHBondContact O-CB 3.49Å; P194-N198 PolarHBondContact O-N 2.87Å; P194-N198 PolarHBondContact O-ND2 3.06Å; P194-N198 PolarHBondContact O-OD1 3.4Å
195D73.6Confident70.5Confident123 Ų12380 Ų8066%0.65844%0.435SS*.Hα-helixtrans-64.3-37.3-180-58-31.7000112.2L193 N198 A199L193-D195 VanDerWaalsContact C-N 3.35Å; L193-D195 PolarHBondContact O-N 3.08Å; D195-N198 PolarHBondContact O-N 3.39Å; D195-A199 VanDerWaalsContact O-CB 3.25Å; D195-A199 WeakPolarHBondContact O-CB 3.43Å; D195-A199 PolarHBondContact O-N 3.22Å
196W69.3Low68.7Low130 Ų13083.6 Ų83.649%0.49246%0.455SS..Hα-helixtrans-68.4-37.1175.2-167.4-89.3000111.7A190 L193 P194 A200A190-W196 HydrophobicContact CB-CD2 4.21Å; A190-W196 HydrophobicContact CB-CG 4.46Å; A190-W196 VanDerWaalsContact O-CB 3.25Å; A190-W196 WeakPolarHBondContact O-CB 3.44Å; L193-W196 HydrophobicContact CB-CB 4.03Å; L193-W196 PolarHBondContact O-N 3.16Å; P194-W196 VanDerWaalsContact C-N 3.32Å; P194-W196 PolarHBondContact O-N 3.31Å; W196-A200 WeakPolarHBondContact O-CB 3.47Å; W196-A200 PolarHBondContact O-N 3.3Å; W196-A200 VanDerWaalsContact O-N 3.09Å
197R65.5Low66.7Low175 Ų17583.5 Ų83.566%0.6645%0.451SS*.Hα-helixtrans-70-35.7175.9-158.5176.587.8177.56.7112L193 P194 A201L193-R197 PolarHBondContact O-N 3.46Å; L193-R197 VanDerWaalsContact O-N 3.08Å; P194-R197 WeakPolarHBondContact O-CB 3.38Å; P194-R197 PolarHBondContact O-N 3.44Å; P194-R197 VanDerWaalsContact O-N 3.12Å; R197-A201 PolarHBondContact O-N 3.44Å; R197-A201 VanDerWaalsContact O-N 3.14Å
198N64.8Low64.8Low85 Ų8586.7 Ų86.746%0.45547%0.467SS..Hα-helixtrans-75.5-41.1178.9-63.5-15.7000111P194 D195 A200 A201 D202P194-N198 WeakPolarHBondContact O-CB 3.49Å; P194-N198 PolarHBondContact O-N 2.87Å; P194-N198 PolarHBondContact O-ND2 3.06Å; P194-N198 PolarHBondContact O-OD1 3.4Å; D195-N198 PolarHBondContact O-N 3.39Å; N198-A200 VanDerWaalsContact C-N 3.32Å; N198-A200 PolarHBondContact O-N 3.15Å; N198-A201 CarbonylContact O-C 3.59Å; N198-A201 WeakPolarHBondContact O-CA 3.33Å; N198-A201 WeakPolarHBondContact O-CB 3.43Å; N198-A201 PolarHBondContact O-N 3.5Å; N198-D202 PolarHBondContact O-N 3.11Å
199A62Low62.8Low52 Ų5297.7 Ų97.743%0.4351%0.507SS..Hα-helixtrans-62.7-36.5172.900000112.6D195 A201 N203D195-A199 VanDerWaalsContact O-CB 3.25Å; D195-A199 WeakPolarHBondContact O-CB 3.43Å; D195-A199 PolarHBondContact O-N 3.22Å; A199-A201 VanDerWaalsContact C-N 3.33Å; A199-N203 PolarHBondContact O-N 3.13Å; A199-N203 VanDerWaalsContact O-N 3.11Å
200A58.5Low60.6Low20 Ų2097.7 Ų97.717%0.16551%0.508CS..Hα-helixtrans-67.4-32.8171.500000112.6W196 N198 R204W196-A200 WeakPolarHBondContact O-CB 3.47Å; W196-A200 PolarHBondContact O-N 3.3Å; W196-A200 VanDerWaalsContact O-N 3.09Å; N198-A200 VanDerWaalsContact C-N 3.32Å; N198-A200 PolarHBondContact O-N 3.15Å; A200-R204 WeakPolarHBondContact O-CG 3.12Å; A200-R204 PolarHBondContact O-N 3.1Å
201A56.8Low58.3Low52 Ų52105.9 Ų105.943%0.4354%0.535SS..Hα-helixtrans-74.5-37.317600000112.6R197 N198 A199 R204 S205R197-A201 PolarHBondContact O-N 3.44Å; R197-A201 VanDerWaalsContact O-N 3.14Å; N198-A201 CarbonylContact O-C 3.59Å; N198-A201 WeakPolarHBondContact O-CA 3.33Å; N198-A201 WeakPolarHBondContact O-CB 3.43Å; N198-A201 PolarHBondContact O-N 3.5Å; A199-A201 VanDerWaalsContact C-N 3.33Å; A201-R204 WeakPolarHBondContact O-CB 3.16Å; A201-R204 PolarHBondContact O-N 3.33Å; A201-S205 PolarHBondContact O-N 2.97Å
202D54.7Low56.5Low110 Ų110115.4 Ų115.459%0.58857%0.568SS**Hα-helixtrans-68.9-34.7175.3-84.4-13.3000112.4N198 R204 S205N198-D202 PolarHBondContact O-N 3.11Å; D202-R204 PolarHBondContact O-N 3.39Å; D202-S205 PolarHBondContact O-N 2.93Å; D202-S205 PolarHBondContact O-OG 3.18Å
203N53.4Low54.3Low102 Ų102115.1 Ų115.155%0.54557%0.57SS.*Hα-helixtrans-64.9-26.2171.2-79.8-19.3000112.7A199A199-N203 PolarHBondContact O-N 3.13Å; A199-N203 VanDerWaalsContact O-N 3.11Å
204R50.8Low52.3Low166 Ų166115.8 Ų115.863%0.62659%0.59SS**Hα-helixtrans-78-28.7176.7-71.9173.9-174.7-154.8-4.1113.5A200 A201 D202 L206 D207 D208 E219A200-R204 WeakPolarHBondContact O-CG 3.12Å; A200-R204 PolarHBondContact O-N 3.1Å; A201-R204 WeakPolarHBondContact O-CB 3.16Å; A201-R204 PolarHBondContact O-N 3.33Å; D202-R204 PolarHBondContact O-N 3.39Å; R204-L206 VanDerWaalsContact C-N 3.29Å; R204-D207 PolarHBondContact O-N 3.31Å; R204-D208 PolarHBondContact O-N 2.96Å; R204-E219 IonicContact CZ-OE1 3.76Å; R204-E219 IonicContact NE-OE1 3.07Å; R204-E219 PolarHBondContact NE-OE1 3.06Å; R204-E219 IonicContact NH2-OE1 3.02Å; R204-E219 PolarHBondContact NH2-OE1 3.2Å
205S47.5Very low50.6Low81 Ų81114.4 Ų114.457%0.56659%0.589SS**Hα-helixtrans-71.7-26.2177.764.60000112.2A201 D202A201-S205 PolarHBondContact O-N 2.97Å; D202-S205 PolarHBondContact O-N 2.93Å; D202-S205 PolarHBondContact O-OG 3.18Å
206L50.3Low49.2Very low147 Ų147115.3 Ų115.377%0.7760%0.602SS**Hα-helixtrans-77.1-26.4172.3-76.2157.1000113.6R204R204-L206 VanDerWaalsContact C-N 3.29Å
207D46.9Very low47.9Very low92 Ų92111.1 Ų111.149%0.49260%0.599SS.*SBendtrans-93.20.2-175.5-147.44.4000113.7R204 R209 S210R204-D207 PolarHBondContact O-N 3.31Å; D207-R209 PolarHBondContact O-N 3.24Å; D207-S210 PolarHBondContact O-N 3.03Å; D207-S210 PolarHBondContact O-OG 2.79Å; D207-S210 PolarHBondContact OD1-OG 2.89Å
208D44.3Very low47Very low92 Ų92111.8 Ų111.849%0.49260%0.602SS.*THydrogen-bonded Turntrans-69.85.4-176.1-151.611.9000114.3R204 R211R204-D208 PolarHBondContact O-N 2.96Å; D208-R211 IonicContact OD1-CZ 2.61Å; D208-R211 VanDerWaalsContact OD1-CZ 3.28Å; D208-R211 IonicContact OD1-NE 3.45Å; D208-R211 PolarHBondContact OD1-NE 3.35Å; D208-R211 IonicContact OD1-NH2 3.8Å; D208-R211 PolarHBondContact OD1-NH2 2.71Å; D208-R211 IonicContact OD2-NH2 2.95Å; D208-R211 PolarHBondContact OD2-NH2 3Å
209R40.3Very low46.8Very low252 Ų252110 Ų11095%0.95159%0.591SS**THydrogen-bonded Turntrans-96.6-1.7170.5-155.7154110.3166.51.9113.9D207D207-R209 PolarHBondContact O-N 3.24Å
210S37.2Very low47Very low65 Ų65111.4 Ų111.446%0.45560%0.595SS.*  trans-122.945.4-179.380.80000113D207 Y212D207-S210 PolarHBondContact O-N 3.03Å; D207-S210 PolarHBondContact O-OG 2.79Å; D207-S210 PolarHBondContact OD1-OG 2.89Å; S210-Y212 PolarHBondContact O-N 2.76Å
211R36.3Very low47.6Very low189 Ų189112 Ų11271%0.71360%0.598SS**THydrogen-bonded Turntrans-6621.7-169.6-146178.9-82.9-176.2-5117.2D208D208-R211 IonicContact OD1-CZ 2.61Å; D208-R211 VanDerWaalsContact OD1-CZ 3.28Å; D208-R211 IonicContact OD1-NE 3.45Å; D208-R211 PolarHBondContact OD1-NE 3.35Å; D208-R211 IonicContact OD1-NH2 3.8Å; D208-R211 PolarHBondContact OD1-NH2 2.71Å; D208-R211 IonicContact OD2-NH2 2.95Å; D208-R211 PolarHBondContact OD2-NH2 3Å
212Y38.9Very low48.4Very low228 Ų228110.5 Ų110.589%0.89459%0.587SS**THydrogen-bonded Turntrans-12610.9-178.7-98.5-83.5000115.7S210S210-Y212 PolarHBondContact O-N 2.76Å
213S32.2Very low49.7Very low82 Ų82109.2 Ų109.257%0.57358%0.58SS**  trans-144.839.5179.6-650000114.9G215S213-G215 PolarHBondContact O-N 3.38Å
214A38.4Very low51.2Low111 Ų111107.6 Ų107.692%0.91757%0.57SS**  trans-75.268.7172.900000111.5
215G40.3Very low52.8Low48 Ų48100.7 Ų100.750%0.49555%0.545SS..  trans-71.6154.6160.900000110.5S213 G217S213-G215 PolarHBondContact O-N 3.38Å; G215-G217 PolarHBondContact O-N 2.82Å
216P44.1Very low54.6Low143 Ų14398.7 Ų98.793%0.92953%0.534SS*.THydrogen-bonded Turntrans-67.918.9-174.327.1-33.9000115.5
217G42.8Very low56.5Low42 Ų4296.3 Ų96.343%0.43352%0.521SS..THydrogen-bonded Turntrans-127.418.2-162.800000117.7G215 I223G215-G217 PolarHBondContact O-N 2.82Å; G217-I223 WeakPolarHBondContact O-CD1 3.43Å; G217-I223 WeakPolarHBondContact O-CG1 3.4Å
218R46.5Very low58.6Low189 Ų18992 Ų9271%0.71350%0.498SS*.  trans-112.2-5-177.6-80.4-172.7163.2142.5-2.6117.1
219E60.1Low60.8Low48 Ų4887.8 Ų87.822%0.22448%0.475CS..SBendtrans-83.7126.6166.9-64.3-103.9-166.700108.1R204 S221 G222 I223R204-E219 IonicContact CZ-OE1 3.76Å; R204-E219 IonicContact NE-OE1 3.07Å; R204-E219 PolarHBondContact NE-OE1 3.06Å; R204-E219 IonicContact NH2-OE1 3.02Å; R204-E219 PolarHBondContact NH2-OE1 3.2Å; E219-S221 PolarHBondContact O-N 3.34Å; E219-G222 PolarHBondContact O-N 3.46Å; E219-I223 PolarHBondContact O-N 2.78Å
220P67.3Low63.3Low81 Ų8177.5 Ų77.553%0.52645%0.447SS..Hα-helixtrans-56.6-29.1-17717.7-28.8000112.8I224P220-I224 WeakPolarHBondContact O-CG1 3.42Å; P220-I224 PolarHBondContact O-N 2.94Å
221S71.3Confident66Low32 Ų3277.8 Ų77.822%0.22444%0.438CS..Hα-helixtrans-65.2-38.4173.560.50000113.5E219 E225E219-S221 PolarHBondContact O-N 3.34Å; S221-E225 WeakPolarHBondContact O-CB 3.43Å; S221-E225 PolarHBondContact O-N 3.16Å
222G73.8Confident68.7Low20 Ų2068.8 Ų68.821%0.20641%0.405CS..Hα-helixtrans-70.9-33.2178.900000112.8E219 E225 A226E219-G222 PolarHBondContact O-N 3.46Å; G222-E225 PolarHBondContact O-N 3.37Å; G222-A226 WeakPolarHBondContact O-CB 3.23Å; G222-A226 PolarHBondContact O-N 3.49Å
223I81.8Confident71.3Confident83 Ų8358.8 Ų58.843%0.42637%0.367SS..Hα-helixtrans-66.3-47.9175-60.1172.6000110.2G217 E219 E225 A226 I227G217-I223 WeakPolarHBondContact O-CD1 3.43Å; G217-I223 WeakPolarHBondContact O-CG1 3.4Å; E219-I223 PolarHBondContact O-N 2.78Å; I223-E225 VanDerWaalsContact C-N 3.27Å; I223-E225 PolarHBondContact O-N 3.11Å; I223-A226 PolarHBondContact O-N 3.34Å; I223-I227 HydrophobicContact CG2-CD1 3.97Å; I223-I227 VanDerWaalsContact O-CG1 3.32Å; I223-I227 WeakPolarHBondContact O-CG1 3.3Å; I223-I227 PolarHBondContact O-N 2.95Å
224I84.7Confident74.2Confident69 Ų6957.2 Ų57.235%0.35436%0.359SS..Hα-helixtrans-59.9-42.7177.4-63.3164.3000110V183 V187 P220 A226 I227 C228V183-I224 HydrophobicContact CG1-CG2 3.76Å; V187-I224 HydrophobicContact CG2-CG2 3.88Å; P220-I224 WeakPolarHBondContact O-CG1 3.42Å; P220-I224 PolarHBondContact O-N 2.94Å; I224-A226 PolarHBondContact O-N 3.34Å; I224-I227 PolarHBondContact O-N 3.15Å; I224-C228 PolarHBondContact O-N 3.45Å; I224-C228 PolarHBondContact O-SG 2.9Å; I224-C228 VanDerWaalsContact O-SG 3.36Å
225E83.9Confident76.7Confident20 Ų2052.2 Ų52.29%0.09332%0.317CS..Hα-helixtrans-59.4-46.5176.2-162.5-173.8154.400112.2S221 G222 I223 I227 C228 I229 R295 W298S221-E225 WeakPolarHBondContact O-CB 3.43Å; S221-E225 PolarHBondContact O-N 3.16Å; G222-E225 PolarHBondContact O-N 3.37Å; I223-E225 VanDerWaalsContact C-N 3.27Å; I223-E225 PolarHBondContact O-N 3.11Å; E225-I227 VanDerWaalsContact C-N 3.31Å; E225-I227 PolarHBondContact O-N 2.91Å; E225-C228 PolarHBondContact O-N 3.07Å; E225-I229 VanDerWaalsContact O-CG2 3.28Å; E225-I229 WeakPolarHBondContact O-CG2 3.35Å; E225-I229 PolarHBondContact O-N 3.44Å; E225-R295 IonicContact OE1-CZ 3.33Å; E225-R295 IonicContact OE1-NE 3.95Å; E225-R295 PolarHBondContact OE1-NE 3.3Å; E225-R295 IonicContact OE1-NH1 3.85Å; E225-R295 PolarHBondContact OE1-NH1 3.31Å; E225-R295 IonicContact OE1-NH2 3.15Å; E225-R295 PolarHBondContact OE1-NH2 3.48Å; E225-R295 IonicContact OE2-CZ 3.29Å; E225-R295 IonicContact OE2-NH1 3.76Å; E225-R295 PolarHBondContact OE2-NH1 3.17Å; E225-R295 IonicContact OE2-NH2 2.72Å; E225-R295 PolarHBondContact OE2-NH2 2.9Å; E225-W298 HydrophobicContact CG-CH2 3.68Å; E225-W298 HydrophobicContact CG-CZ3 4.3Å
226A85.8Confident79.1Confident40 Ų4050.4 Ų50.433%0.33130%0.296SS..Hα-helixtrans-61.4-36.7177.600000112.6G222 I223 I224 I229 G230G222-A226 WeakPolarHBondContact O-CB 3.23Å; G222-A226 PolarHBondContact O-N 3.49Å; I223-A226 PolarHBondContact O-N 3.34Å; I224-A226 PolarHBondContact O-N 3.34Å; A226-I229 VanDerWaalsContact O-CG2 3.23Å; A226-I229 WeakPolarHBondContact O-CG2 3.48Å; A226-G230 PolarHBondContact O-N 2.98Å
227I90.8Very high81.4Confident97 Ų9747.8 Ų47.850%0.49727%0.274SS..Hα-helixtrans-69.5-48175.7-64.6166.4000110.3F180 I223 I224 E225 I229 G230 W231F180-I227 HydrophobicContact CE1-CG2 3.87Å; F180-I227 HydrophobicContact CZ-CG2 4.39Å; I223-I227 HydrophobicContact CG2-CD1 3.97Å; I223-I227 VanDerWaalsContact O-CG1 3.32Å; I223-I227 WeakPolarHBondContact O-CG1 3.3Å; I223-I227 PolarHBondContact O-N 2.95Å; I224-I227 PolarHBondContact O-N 3.15Å; E225-I227 VanDerWaalsContact C-N 3.31Å; E225-I227 PolarHBondContact O-N 2.91Å; I227-I229 PolarHBondContact O-N 2.89Å; I227-G230 PolarHBondContact O-N 3.33Å; I227-W231 PolarHBondContact O-N 3.04Å
228C90.4Very high83.6Confident2 Ų247.7 Ų47.71%0.01427%0.265CS..Hα-helixtrans-58.9-47.6178-72.60000111.9F180 I224 E225 G230 W231 F232F180-C228 HydrophobicContact CD1-CB 4.48Å; I224-C228 PolarHBondContact O-N 3.45Å; I224-C228 PolarHBondContact O-SG 2.9Å; I224-C228 VanDerWaalsContact O-SG 3.36Å; E225-C228 PolarHBondContact O-N 3.07Å; C228-G230 VanDerWaalsContact C-N 3.34Å; C228-W231 PolarHBondContact O-N 3.25Å; C228-F232 WeakPolarHBondContact O-CD2 3.27Å; C228-F232 VanDerWaalsContact O-CG 3.3Å; C228-F232 WeakPolarHBondContact O-CG 3.49Å; C228-F232 PolarHBondContact O-N 3.41Å
229I90.4Very high85.6Confident3 Ų339.4 Ų39.42%0.01523%0.233CC..Hα-helixtrans-67.3-36.3178.3-17068.6000111.6E225 A226 I227 W231 F232 T233 I262 Y265 Y266 W298E225-I229 VanDerWaalsContact O-CG2 3.28Å; E225-I229 WeakPolarHBondContact O-CG2 3.35Å; E225-I229 PolarHBondContact O-N 3.44Å; A226-I229 VanDerWaalsContact O-CG2 3.23Å; A226-I229 WeakPolarHBondContact O-CG2 3.48Å; I227-I229 PolarHBondContact O-N 2.89Å; I229-W231 VanDerWaalsContact C-N 3.35Å; I229-F232 PolarHBondContact O-N 3.22Å; I229-T233 VanDerWaalsContact O-CB 3.3Å; I229-T233 WeakPolarHBondContact O-CB 3.43Å; I229-T233 PolarHBondContact O-N 3.23Å; I229-T233 PolarHBondContact O-OG1 3.4Å; I229-I262 HydrophobicContact CD1-CB 3.75Å; I229-I262 HydrophobicContact CD1-CG2 3.82Å; I229-Y265 HydrophobicContact CB-CD1 4.48Å; I229-Y265 HydrophobicContact CB-CG 4.31Å; I229-Y265 HydrophobicContact CD1-CG 4.47Å; I229-Y265 HydrophobicContact CG1-CD1 3.82Å; I229-Y265 HydrophobicContact CG1-CG 3.82Å; I229-Y265 HydrophobicContact CG2-CD1 3.98Å; I229-Y265 HydrophobicContact CG2-CD2 4.15Å; I229-Y265 HydrophobicContact CG2-CE1 3.98Å; I229-Y265 HydrophobicContact CG2-CE2 4.16Å; I229-Y265 HydrophobicContact CG2-CG 4.06Å; I229-Y266 HydrophobicContact CG1-CE2 4.35Å; I229-W298 HydrophobicContact CD1-CZ2 4.47Å
230G92.8Very high87Confident35 Ų3541 Ų4136%0.36124%0.24SC..Hα-helixtrans-58.8-47173.700000111.4A226 I227 C228 T233 A234A226-G230 PolarHBondContact O-N 2.98Å; I227-G230 PolarHBondContact O-N 3.33Å; C228-G230 VanDerWaalsContact C-N 3.34Å; G230-T233 PolarHBondContact O-N 3.42Å; G230-A234 WeakPolarHBondContact O-CB 3.02Å; G230-A234 PolarHBondContact O-N 3.35Å
231W93.4Very high88.1Confident71 Ų7142 Ų4227%0.26924%0.24SC..Hα-helixtrans-58.8-51.5173.8-178.4-97.4000111.7L173 V176 S177 F180 I227 C228 I229 T233 A234 E235L173-W231 HydrophobicContact CD2-CH2 3.92Å; L173-W231 HydrophobicContact CD2-CZ2 4.27Å; V176-W231 HydrophobicContact CB-CZ2 4.19Å; V176-W231 HydrophobicContact CG1-CH2 3.73Å; V176-W231 HydrophobicContact CG1-CZ2 3.51Å; V176-W231 HydrophobicContact CG1-CZ3 4.33Å; S177-W231 PolarHBondContact OG-NE1 3.09Å; F180-W231 HydrophobicContact CD1-CB 4.46Å; F180-W231 HydrophobicContact CD2-CB 4.2Å; F180-W231 AromaticContact CD2-CD1 3.55Å; F180-W231 AromaticContact CD2-CD2 3.79Å; F180-W231 HydrophobicContact CD2-CD2 3.79Å; F180-W231 AromaticContact CD2-CE2 3.94Å; F180-W231 AromaticContact CD2-CG 3.57Å; F180-W231 HydrophobicContact CD2-CG 3.57Å; F180-W231 AromaticContact CD2-NE1 3.8Å; F180-W231 HydrophobicContact CE2-CB 4.23Å; F180-W231 AromaticContact CE2-CD2 3.63Å; F180-W231 HydrophobicContact CE2-CD2 3.63Å; F180-W231 AromaticContact CE2-CE3 3.91Å; F180-W231 HydrophobicContact CE2-CE3 3.91Å; F180-W231 AromaticContact CE2-CG 3.75Å; F180-W231 HydrophobicContact CE2-CG 3.75Å; F180-W231 HydrophobicContact CG-CB 4.32Å; F180-W231 AromaticContact CG-CD1 3.95Å; F180-W231 HydrophobicContact CG-CG 4.06Å; F180-W231 HydrophobicContact CZ-CB 4.38Å; F180-W231 HydrophobicContact CZ-CD2 4.45Å; F180-W231 HydrophobicContact CZ-CG 4.38Å; I227-W231 PolarHBondContact O-N 3.04Å; C228-W231 PolarHBondContact O-N 3.25Å; I229-W231 VanDerWaalsContact C-N 3.35Å; W231-T233 VanDerWaalsContact C-N 3.31Å; W231-T233 PolarHBondContact O-N 3.38Å; W231-A234 PolarHBondContact O-N 2.98Å; W231-E235 WeakPolarHBondContact O-CB 3.32Å; W231-E235 PolarHBondContact O-N 2.96Å
232F92.3Very high88.7Confident1 Ų140.8 Ų40.80%0.00423%0.231CC..Hα-helixtrans-62.3-37.6-179.6-63.1-22.1000113.3F180 V181 C228 I229 C236 I262 W298 K301F180-F232 HydrophobicContact CB-CE1 3.9Å; F180-F232 HydrophobicContact CB-CZ 4.26Å; V181-F232 HydrophobicContact CB-CZ 4.45Å; V181-F232 HydrophobicContact CG2-CE1 3.82Å; V181-F232 HydrophobicContact CG2-CZ 3.67Å; C228-F232 WeakPolarHBondContact O-CD2 3.27Å; C228-F232 VanDerWaalsContact O-CG 3.3Å; C228-F232 WeakPolarHBondContact O-CG 3.49Å; C228-F232 PolarHBondContact O-N 3.41Å; I229-F232 PolarHBondContact O-N 3.22Å; F232-C236 WeakPolarHBondContact O-CB 3.24Å; F232-C236 PolarHBondContact O-N 3.3Å; F232-I262 HydrophobicContact CB-CG2 3.76Å; F232-W298 HydrophobicContact CE2-CB 4.46Å; F232-W298 HydrophobicContact CE2-CD2 4.3Å; F232-W298 HydrophobicContact CE2-CE3 4.47Å; F232-W298 HydrophobicContact CE2-CG 4.33Å; F232-K301 HydrophobicContact CD1-CD 4.23Å; F232-K301 HydrophobicContact CE1-CD 4.3Å
233T93.7Very high89.2Confident17 Ų1740.3 Ų40.310%0.10422%0.224CC..Hα-helixtrans-66.7-47.4176.2-53.70000110.2I229 G230 W231 E235 C236 I237 Y266I229-T233 VanDerWaalsContact O-CB 3.3Å; I229-T233 WeakPolarHBondContact O-CB 3.43Å; I229-T233 PolarHBondContact O-N 3.23Å; I229-T233 PolarHBondContact O-OG1 3.4Å; G230-T233 PolarHBondContact O-N 3.42Å; W231-T233 VanDerWaalsContact C-N 3.31Å; W231-T233 PolarHBondContact O-N 3.38Å; T233-E235 VanDerWaalsContact C-N 3.31Å; T233-E235 PolarHBondContact O-N 3.33Å; T233-C236 PolarHBondContact O-N 2.99Å; T233-I237 HydrophobicContact CG2-CD1 3.73Å; T233-I237 HydrophobicContact CG2-CG1 4.28Å; T233-I237 WeakPolarHBondContact O-CB 3.41Å; T233-I237 VanDerWaalsContact O-CG1 3.3Å; T233-I237 WeakPolarHBondContact O-CG1 3.17Å; T233-I237 PolarHBondContact O-N 2.98Å; T233-Y266 WeakPolarHBondContact CB-OH 3.14Å; T233-Y266 HydrophobicContact CG2-CE2 4.33Å; T233-Y266 WeakPolarHBondContact CG2-OH 3.49Å; T233-Y266 PolarHBondContact OG1-OH 3.4Å
234A93.4Very high89.1Confident49 Ų4942.6 Ų42.641%0.40523%0.231SC..Hα-helixtrans-58.8-45177.400000111.3G230 W231 C236 I237 V238G230-A234 WeakPolarHBondContact O-CB 3.02Å; G230-A234 PolarHBondContact O-N 3.35Å; W231-A234 PolarHBondContact O-N 2.98Å; A234-C236 VanDerWaalsContact C-N 3.35Å; A234-C236 PolarHBondContact O-N 2.91Å; A234-I237 PolarHBondContact O-N 3.49Å; A234-V238 WeakPolarHBondContact O-CB 3.38Å; A234-V238 VanDerWaalsContact O-CG2 3.29Å; A234-V238 WeakPolarHBondContact O-CG2 3.4Å; A234-V238 PolarHBondContact O-N 2.89Å
235E91.6Very high89Confident6 Ų643.4 Ų43.43%0.02824%0.236CC..Hα-helixtrans-59.6-44.2176.5-151.3-167.5142.600111.8W231 T233 R239 K301W231-E235 WeakPolarHBondContact O-CB 3.32Å; W231-E235 PolarHBondContact O-N 2.96Å; T233-E235 VanDerWaalsContact C-N 3.31Å; T233-E235 PolarHBondContact O-N 3.33Å; E235-R239 VanDerWaalsContact CG-NH1 3.27Å; E235-R239 WeakPolarHBondContact O-CB 3.43Å; E235-R239 WeakPolarHBondContact O-CG 3.36Å; E235-R239 PolarHBondContact O-N 3.4Å; E235-R239 VanDerWaalsContact O-N 3.15Å; E235-R239 IonicContact OE1-CZ 3.86Å; E235-R239 IonicContact OE1-NH1 2.77Å; E235-R239 PolarHBondContact OE1-NH1 2.8Å; E235-R239 IonicContact OE1-NH2 2.99Å; E235-R239 PolarHBondContact OE1-NH2 3.02Å; E235-K301 IonicContact OE1-NZ 3.91Å; E235-K301 WeakPolarHBondContact OE2-CE 3.45Å; E235-K301 IonicContact OE2-NZ 2.94Å; E235-K301 PolarHBondContact OE2-NZ 3.3Å
236C90.4Very high89.2Confident10 Ų1046.3 Ų46.37%0.06825%0.248CC..Hα-helixtrans-64.8-45176.7-170.20000111.9F232 T233 A234 R239 F240F232-C236 WeakPolarHBondContact O-CB 3.24Å; F232-C236 PolarHBondContact O-N 3.3Å; T233-C236 PolarHBondContact O-N 2.99Å; A234-C236 VanDerWaalsContact C-N 3.35Å; A234-C236 PolarHBondContact O-N 2.91Å; C236-R239 PolarHBondContact O-N 3.49Å; C236-F240 WeakPolarHBondContact O-CB 3.4Å; C236-F240 PolarHBondContact O-N 3.46Å
237I91.8Very high89.1Confident89 Ų8948.5 Ų48.546%0.45626%0.26SS..Hα-helixtrans-63.6-48.5179.2-71.3171.2000110.9T233 A234 R239 F240 I241T233-I237 HydrophobicContact CG2-CD1 3.73Å; T233-I237 HydrophobicContact CG2-CG1 4.28Å; T233-I237 WeakPolarHBondContact O-CB 3.41Å; T233-I237 VanDerWaalsContact O-CG1 3.3Å; T233-I237 WeakPolarHBondContact O-CG1 3.17Å; T233-I237 PolarHBondContact O-N 2.98Å; A234-I237 PolarHBondContact O-N 3.49Å; I237-R239 VanDerWaalsContact C-N 3.32Å; I237-R239 PolarHBondContact O-N 3.23Å; I237-F240 WeakPolarHBondContact O-CB 3.39Å; I237-F240 PolarHBondContact O-N 3.11Å; I237-F240 VanDerWaalsContact O-N 3.15Å; I237-I241 HydrophobicContact CG2-CD1 3.61Å; I237-I241 HydrophobicContact CG2-CG1 4.27Å; I237-I241 VanDerWaalsContact O-CG1 3.31Å; I237-I241 WeakPolarHBondContact O-CG1 3.49Å; I237-I241 PolarHBondContact O-N 3.47Å
238V89.9Confident88.8Confident39 Ų3946.6 Ų46.624%0.23625%0.25CC..Hα-helixtrans-59.8-45.6180171.80000110.2M157 F161 A234 F240 I241 V242M157-V238 HydrophobicContact CE-CG1 3.95Å; F161-V238 HydrophobicContact CD1-CG1 4.05Å; F161-V238 HydrophobicContact CD2-CG1 3.87Å; F161-V238 HydrophobicContact CE1-CB 4.22Å; F161-V238 HydrophobicContact CE1-CG1 3.88Å; F161-V238 HydrophobicContact CE2-CG1 3.7Å; F161-V238 HydrophobicContact CG-CG1 4.05Å; F161-V238 HydrophobicContact CZ-CB 4.37Å; F161-V238 HydrophobicContact CZ-CG1 3.7Å; A234-V238 WeakPolarHBondContact O-CB 3.38Å; A234-V238 VanDerWaalsContact O-CG2 3.29Å; A234-V238 WeakPolarHBondContact O-CG2 3.4Å; A234-V238 PolarHBondContact O-N 2.89Å; V238-F240 VanDerWaalsContact C-N 3.35Å; V238-F240 PolarHBondContact O-N 3.28Å; V238-I241 PolarHBondContact O-N 3.47Å; V238-V242 HydrophobicContact CG1-CG2 4.26Å; V238-V242 WeakPolarHBondContact O-CB 3.38Å; V238-V242 WeakPolarHBondContact O-CG2 3.44Å; V238-V242 PolarHBondContact O-N 2.67Å
239R88.1Confident88.6Confident15 Ų1546.8 Ų46.86%0.05725%0.25CS..Hα-helixtrans-62.7-40.9175.5-74.3-170.2-173.710714.4112.8F161 E235 C236 I237 V242 S243 F249 D258F161-R239 HydrophobicContact CB-CG 4.04Å; F161-R239 HydrophobicContact CD1-CG 4.42Å; F161-R239 PolarHBondContact O-NE 3.33Å; F161-R239 PolarHBondContact O-NH2 3.13Å; F161-R239 VanDerWaalsContact O-NH2 3.15Å; E235-R239 VanDerWaalsContact CG-NH1 3.27Å; E235-R239 WeakPolarHBondContact O-CB 3.43Å; E235-R239 WeakPolarHBondContact O-CG 3.36Å; E235-R239 PolarHBondContact O-N 3.4Å; E235-R239 VanDerWaalsContact O-N 3.15Å; E235-R239 IonicContact OE1-CZ 3.86Å; E235-R239 IonicContact OE1-NH1 2.77Å; E235-R239 PolarHBondContact OE1-NH1 2.8Å; E235-R239 IonicContact OE1-NH2 2.99Å; E235-R239 PolarHBondContact OE1-NH2 3.02Å; C236-R239 PolarHBondContact O-N 3.49Å; I237-R239 VanDerWaalsContact C-N 3.32Å; I237-R239 PolarHBondContact O-N 3.23Å; R239-V242 PolarHBondContact O-N 3.23Å; R239-S243 WeakPolarHBondContact O-CB 3.5Å; R239-S243 PolarHBondContact O-N 3.44Å; R239-F249 HydrophobicContact CB-CE2 3.76Å; R239-F249 HydrophobicContact CB-CZ 3.71Å; R239-D258 IonicContact NH1-OD2 3.93Å
240F90Very high88.4Confident82 Ų8249.7 Ų49.736%0.3627%0.268SS..Hα-helixtrans-60.8-47.6175.9-177.9-98.8000110.8C236 I237 V238 V242 S243 K246 F249 V250C236-F240 WeakPolarHBondContact O-CB 3.4Å; C236-F240 PolarHBondContact O-N 3.46Å; I237-F240 WeakPolarHBondContact O-CB 3.39Å; I237-F240 PolarHBondContact O-N 3.11Å; I237-F240 VanDerWaalsContact O-N 3.15Å; V238-F240 VanDerWaalsContact C-N 3.35Å; V238-F240 PolarHBondContact O-N 3.28Å; F240-V242 PolarHBondContact O-N 3.31Å; F240-S243 PolarHBondContact O-N 3.28Å; F240-S243 PolarHBondContact O-OG 3.31Å; F240-K246 HydrophobicContact CD1-CD 4.44Å; F240-K246 HydrophobicContact CD2-CD 4.46Å; F240-K246 HydrophobicContact CE1-CD 4.09Å; F240-K246 HydrophobicContact CE1-CG 4.42Å; F240-K246 HydrophobicContact CE2-CB 3.79Å; F240-K246 HydrophobicContact CE2-CD 4.11Å; F240-K246 HydrophobicContact CE2-CG 4.29Å; F240-K246 HydrophobicContact CZ-CB 3.75Å; F240-K246 HydrophobicContact CZ-CD 3.91Å; F240-K246 HydrophobicContact CZ-CG 3.92Å; F240-K246 WeakPolarHBondContact O-CD 3.28Å; F240-K246 WeakPolarHBondContact O-CE 3.45Å; F240-K246 PolarHBondContact O-NZ 2.85Å; F240-F249 HydrophobicContact CB-CD1 4.5Å; F240-F249 HydrophobicContact CB-CE1 4.11Å; F240-F249 AromaticContact CD2-CD1 3.73Å; F240-F249 HydrophobicContact CD2-CD1 3.73Å; F240-F249 HydrophobicContact CD2-CE1 4.07Å; F240-V250 HydrophobicContact CE2-CG2 4.19Å
241I89.1Confident88Confident102 Ų10255.3 Ų55.352%0.52328%0.282SS..Hα-helixtrans-62.5-42.2179.8-68.1168.8000111.6I237 V238 K246I237-I241 HydrophobicContact CG2-CD1 3.61Å; I237-I241 HydrophobicContact CG2-CG1 4.27Å; I237-I241 VanDerWaalsContact O-CG1 3.31Å; I237-I241 WeakPolarHBondContact O-CG1 3.49Å; I237-I241 PolarHBondContact O-N 3.47Å; V238-I241 PolarHBondContact O-N 3.47Å; I241-K246 VanDerWaalsContact C-NZ 3.3Å; I241-K246 PolarHBondContact O-NZ 2.94Å
242V85.4Confident87.6Confident6 Ų656.2 Ų56.24%0.03629%0.286CS..Hα-helixtrans-80.1-17.9-174.7175.60000112.9L154 M157 R158 V238 R239 F240L154-V242 HydrophobicContact CG-CG1 4.5Å; M157-V242 HydrophobicContact CB-CG1 4.37Å; M157-V242 HydrophobicContact CB-CG2 4.29Å; M157-V242 HydrophobicContact CE-CG2 4.34Å; R158-V242 HydrophobicContact CB-CG1 3.34Å; R158-V242 HydrophobicContact CG-CG1 3.85Å; V238-V242 HydrophobicContact CG1-CG2 4.26Å; V238-V242 WeakPolarHBondContact O-CB 3.38Å; V238-V242 WeakPolarHBondContact O-CG2 3.44Å; V238-V242 PolarHBondContact O-N 2.67Å; R239-V242 PolarHBondContact O-N 3.23Å; F240-V242 PolarHBondContact O-N 3.31Å
243S83.4Confident87.3Confident10 Ų1060.8 Ų60.87%0.0732%0.315CS..  trans-65.8142.1177.769.30000113.4R239 F240 K246R239-S243 WeakPolarHBondContact O-CB 3.5Å; R239-S243 PolarHBondContact O-N 3.44Å; F240-S243 PolarHBondContact O-N 3.28Å; F240-S243 PolarHBondContact O-OG 3.31Å; S243-K246 PolarHBondContact O-NZ 3.39Å
244K79.9Confident86.8Confident132 Ų13262.8 Ų62.857%0.57433%0.325SS*.SBendtrans-68.5-47.4179.6-63.4-177.7-178.5179.60111.7E155E155-K244 WeakPolarHBondContact OE1-CE 3.42Å; E155-K244 IonicContact OE1-NZ 3.79Å; E155-K244 PolarHBondContact OE1-NZ 3.15Å; E155-K244 IonicContact OE2-NZ 2.64Å
245N83.4Confident86.6Confident86 Ų8660.8 Ų60.846%0.4631%0.307SS..  trans-116.2109.5-178.6-69.1-27.5000111.2C247 E248 F249N245-C247 PolarHBondContact O-N 2.94Å; N245-E248 HydrophobicContact CB-CB 3.62Å; N245-E248 PolarHBondContact ND2-OE2 2.91Å; N245-E248 PolarHBondContact O-N 3.05Å; N245-F249 WeakPolarHBondContact O-CB 3.26Å; N245-F249 PolarHBondContact O-N 2.88Å
246K86.4Confident86.5Confident80 Ų8063.9 Ų63.935%0.34832%0.324SS..Hα-helixtrans-65.9-41.2-176-53.5-49.7-176.7-159.60113.4F240 I241 S243 F249 V250F240-K246 HydrophobicContact CD1-CD 4.44Å; F240-K246 HydrophobicContact CD2-CD 4.46Å; F240-K246 HydrophobicContact CE1-CD 4.09Å; F240-K246 HydrophobicContact CE1-CG 4.42Å; F240-K246 HydrophobicContact CE2-CB 3.79Å; F240-K246 HydrophobicContact CE2-CD 4.11Å; F240-K246 HydrophobicContact CE2-CG 4.29Å; F240-K246 HydrophobicContact CZ-CB 3.75Å; F240-K246 HydrophobicContact CZ-CD 3.91Å; F240-K246 HydrophobicContact CZ-CG 3.92Å; F240-K246 WeakPolarHBondContact O-CD 3.28Å; F240-K246 WeakPolarHBondContact O-CE 3.45Å; F240-K246 PolarHBondContact O-NZ 2.85Å; I241-K246 VanDerWaalsContact C-NZ 3.3Å; I241-K246 PolarHBondContact O-NZ 2.94Å; S243-K246 PolarHBondContact O-NZ 3.39Å; K246-F249 WeakPolarHBondContact O-CB 3.23Å; K246-F249 PolarHBondContact O-N 3.31Å; K246-V250 WeakPolarHBondContact O-CG2 3.39Å; K246-V250 PolarHBondContact O-N 3.2Å
247C85.2Confident86.4Confident86 Ų8665.3 Ų65.358%0.58133%0.33SS*.Hα-helixtrans-69.5-39179.7-173.10000111.6N245 K251N245-C247 PolarHBondContact O-N 2.94Å; C247-K251 WeakPolarHBondContact O-CG 3.41Å; C247-K251 PolarHBondContact O-N 2.81Å
248E84.1Confident86.3Confident58 Ų5861.2 Ų61.227%0.27131%0.309SS..Hα-helixtrans-66.2-40.7174.5-164.4-166.3142.600111.1N245 V250 K251 R252N245-E248 HydrophobicContact CB-CB 3.62Å; N245-E248 PolarHBondContact ND2-OE2 2.91Å; N245-E248 PolarHBondContact O-N 3.05Å; E248-V250 VanDerWaalsContact C-N 3.33Å; E248-V250 PolarHBondContact O-N 2.98Å; E248-K251 PolarHBondContact O-N 2.94Å; E248-K251 VanDerWaalsContact O-N 3.09Å; E248-R252 PolarHBondContact O-N 3.05Å; E248-R252 IonicContact OE1-CZ 3.4Å; E248-R252 IonicContact OE1-NE 2.84Å; E248-R252 PolarHBondContact OE1-NE 3.04Å; E248-R252 IonicContact OE1-NH2 3.56Å; E248-R252 PolarHBondContact OE1-NH2 3.36Å
249F86.2Confident86.3Confident6 Ų662 Ų623%0.02631%0.312CS..Hα-helixtrans-54.6-48.1176.8177.8-88.8000111.9R239 F240 N245 K246 K251 R252 N255R239-F249 HydrophobicContact CB-CE2 3.76Å; R239-F249 HydrophobicContact CB-CZ 3.71Å; F240-F249 HydrophobicContact CB-CD1 4.5Å; F240-F249 HydrophobicContact CB-CE1 4.11Å; F240-F249 AromaticContact CD2-CD1 3.73Å; F240-F249 HydrophobicContact CD2-CD1 3.73Å; F240-F249 HydrophobicContact CD2-CE1 4.07Å; N245-F249 WeakPolarHBondContact O-CB 3.26Å; N245-F249 PolarHBondContact O-N 2.88Å; K246-F249 WeakPolarHBondContact O-CB 3.23Å; K246-F249 PolarHBondContact O-N 3.31Å; F249-K251 VanDerWaalsContact C-N 3.25Å; F249-K251 PolarHBondContact O-N 3.26Å; F249-R252 PolarHBondContact O-N 3.38Å; F249-N255 HydrophobicContact CD1-CB 4.37Å; F249-N255 WeakPolarHBondContact CD2-ND2 3.31Å; F249-N255 HydrophobicContact CE1-CB 4.05Å; F249-N255 HydrophobicContact CE2-CB 4.42Å; F249-N255 WeakPolarHBondContact CE2-ND2 3.35Å; F249-N255 WeakPolarHBondContact CG-ND2 3.44Å; F249-N255 HydrophobicContact CZ-CB 4.08Å; F249-N255 WeakPolarHBondContact O-CB 3.45Å; F249-N255 PolarHBondContact O-ND2 3.37Å
250V86.7Confident86.3Confident63 Ų6365 Ų6538%0.38233%0.329SS..Hα-helixtrans-67.4-26.1-179.2177.90000112.3F240 K246 E248 I256 L259F240-V250 HydrophobicContact CE2-CG2 4.19Å; K246-V250 WeakPolarHBondContact O-CG2 3.39Å; K246-V250 PolarHBondContact O-N 3.2Å; E248-V250 VanDerWaalsContact C-N 3.33Å; E248-V250 PolarHBondContact O-N 2.98Å; V250-I256 WeakPolarHBondContact O-CG1 3.32Å; V250-L259 HydrophobicContact CG1-CD1 3.96Å
251K84.5Confident86.2Confident153 Ų15361.1 Ų61.167%0.66531%0.312SS*.Hα-helixtrans-82.4-13.9179-69.5176-178.3-179.60113.9C247 E248 F249C247-K251 WeakPolarHBondContact O-CG 3.41Å; C247-K251 PolarHBondContact O-N 2.81Å; E248-K251 PolarHBondContact O-N 2.94Å; E248-K251 VanDerWaalsContact O-N 3.09Å; F249-K251 VanDerWaalsContact C-N 3.25Å; F249-K251 PolarHBondContact O-N 3.26Å
252R84.5Confident86.2Confident91 Ų9157.2 Ų57.234%0.34329%0.291SS..SBendtrans-72.9132.7179.9-72.8179.8-179.8-155.8-3.1110.8E248 F249 L254 N255 I256E248-R252 PolarHBondContact O-N 3.05Å; E248-R252 IonicContact OE1-CZ 3.4Å; E248-R252 IonicContact OE1-NE 2.84Å; E248-R252 PolarHBondContact OE1-NE 3.04Å; E248-R252 IonicContact OE1-NH2 3.56Å; E248-R252 PolarHBondContact OE1-NH2 3.36Å; F249-R252 PolarHBondContact O-N 3.38Å; R252-L254 PolarHBondContact O-N 2.89Å; R252-N255 HydrophobicContact CB-CB 4.37Å; R252-N255 WeakPolarHBondContact O-CB 3.17Å; R252-N255 PolarHBondContact O-N 3.3Å; R252-I256 PolarHBondContact O-N 3.44Å
253P84.8Confident86.3Confident96 Ų9659.5 Ų59.562%0.62331%0.306SS*.Hα-helixtrans-59.9-39.5-170.921.1-32.7000114.1N255 I256 I257P253-N255 VanDerWaalsContact C-N 3.27Å; P253-N255 PolarHBondContact O-N 2.82Å; P253-I256 PolarHBondContact O-N 3.11Å; P253-I257 WeakPolarHBondContact O-CG1 3.13Å; P253-I257 PolarHBondContact O-N 3.37Å; P253-I257 VanDerWaalsContact O-N 3.1Å
254L84.5Confident86.5Confident59 Ų5959.4 Ų59.431%0.30930%0.304SS..Hα-helixtrans-65.6-31176.6-63.4177.5000112.7R252 I257 D258 R304R252-L254 PolarHBondContact O-N 2.89Å; L254-I257 HydrophobicContact CD2-CD1 4.47Å; L254-D258 PolarHBondContact O-N 3.2Å; L254-R304 PolarHBondContact O-NH2 2.94Å
255N88.8Confident86.7Confident7 Ų756.1 Ų56.14%0.03729%0.289CS..Hα-helixtrans-81.1-31.4178.4-61.3-17.3000111.4F249 R252 P253 I257 D258 L259 R304F249-N255 HydrophobicContact CD1-CB 4.37Å; F249-N255 WeakPolarHBondContact CD2-ND2 3.31Å; F249-N255 HydrophobicContact CE1-CB 4.05Å; F249-N255 HydrophobicContact CE2-CB 4.42Å; F249-N255 WeakPolarHBondContact CE2-ND2 3.35Å; F249-N255 WeakPolarHBondContact CG-ND2 3.44Å; F249-N255 HydrophobicContact CZ-CB 4.08Å; F249-N255 WeakPolarHBondContact O-CB 3.45Å; F249-N255 PolarHBondContact O-ND2 3.37Å; R252-N255 HydrophobicContact CB-CB 4.37Å; R252-N255 WeakPolarHBondContact O-CB 3.17Å; R252-N255 PolarHBondContact O-N 3.3Å; P253-N255 VanDerWaalsContact C-N 3.27Å; P253-N255 PolarHBondContact O-N 2.82Å; N255-I257 VanDerWaalsContact C-N 3.29Å; N255-D258 PolarHBondContact O-N 2.7Å; N255-L259 WeakPolarHBondContact O-CG 3.5Å; N255-L259 PolarHBondContact O-N 2.72Å; N255-R304 PolarHBondContact OD1-NH2 3.26Å
256I88.9Confident86.9Confident72 Ų7257.1 Ų57.137%0.36929%0.287SS..Hα-helixtrans-59.9-43.5169-64.8171.3000109.8V250 R252 P253 D258 L259 L260V250-I256 WeakPolarHBondContact O-CG1 3.32Å; R252-I256 PolarHBondContact O-N 3.44Å; P253-I256 PolarHBondContact O-N 3.11Å; I256-D258 PolarHBondContact O-N 3.41Å; I256-L259 PolarHBondContact O-N 3.41Å; I256-L260 HydrophobicContact CG2-CD1 3.88Å; I256-L260 HydrophobicContact CG2-CG 4.19Å; I256-L260 WeakPolarHBondContact O-CB 3.33Å; I256-L260 WeakPolarHBondContact O-CG 3.44Å; I256-L260 PolarHBondContact O-N 3.44Å
257I88.8Confident86.8Confident40 Ų4056.5 Ų56.521%0.20529%0.287CS..Hα-helixtrans-59.8-45175.3-68.2160.9000110.9P253 L254 N255 L259 L260 A261 I300P253-I257 WeakPolarHBondContact O-CG1 3.13Å; P253-I257 PolarHBondContact O-N 3.37Å; P253-I257 VanDerWaalsContact O-N 3.1Å; L254-I257 HydrophobicContact CD2-CD1 4.47Å; N255-I257 VanDerWaalsContact C-N 3.29Å; I257-L259 VanDerWaalsContact C-N 3.32Å; I257-L259 PolarHBondContact O-N 3.25Å; I257-L260 PolarHBondContact O-N 3.28Å; I257-A261 WeakPolarHBondContact O-CB 3.36Å; I257-A261 PolarHBondContact O-N 3.17Å; I257-I300 HydrophobicContact CD1-CG2 3.81Å; I257-I300 HydrophobicContact CG1-CG2 4.03Å; I257-I300 HydrophobicContact CG2-CB 4.04Å; I257-I300 HydrophobicContact CG2-CG2 3.8Å
258D89.1Confident86.5Confident3 Ų353.9 Ų53.92%0.01627%0.269CS..Hα-helixtrans-61-39.4177.1-72.6-19.3000112.2R239 L254 N255 I256 A261 I262 K301 R304R239-D258 IonicContact NH1-OD2 3.93Å; L254-D258 PolarHBondContact O-N 3.2Å; N255-D258 PolarHBondContact O-N 2.7Å; I256-D258 PolarHBondContact O-N 3.41Å; D258-A261 PolarHBondContact O-N 2.93Å; D258-I262 PolarHBondContact O-N 2.87Å; D258-K301 WeakPolarHBondContact OD1-CE 3.43Å; D258-K301 WeakPolarHBondContact OD1-CG 3.23Å; D258-R304 IonicContact OD1-NE 3.91Å; D258-R304 IonicContact OD2-CZ 3.51Å; D258-R304 VanDerWaalsContact OD2-CZ 3.31Å; D258-R304 IonicContact OD2-NE 3.63Å; D258-R304 PolarHBondContact OD2-NE 3.46Å; D258-R304 VanDerWaalsContact OD2-NE 3.16Å; D258-R304 IonicContact OD2-NH2 3.91Å; D258-R304 PolarHBondContact OD2-NH2 2.97Å
259L89.9Confident86.3Confident56 Ų5654 Ų5429%0.29327%0.274SS..Hα-helixtrans-68.4-46.1175.7-70.7170.5000112.1V250 N255 I256 I257 A261 I262 T263V250-L259 HydrophobicContact CG1-CD1 3.96Å; N255-L259 WeakPolarHBondContact O-CG 3.5Å; N255-L259 PolarHBondContact O-N 2.72Å; I256-L259 PolarHBondContact O-N 3.41Å; I257-L259 VanDerWaalsContact C-N 3.32Å; I257-L259 PolarHBondContact O-N 3.25Å; L259-A261 PolarHBondContact O-N 3.01Å; L259-I262 VanDerWaalsContact O-CG1 3.27Å; L259-I262 WeakPolarHBondContact O-CG1 3.48Å; L259-I262 PolarHBondContact O-N 3.34Å; L259-T263 WeakPolarHBondContact O-CB 3.5Å; L259-T263 PolarHBondContact O-N 3.3Å; L259-T263 VanDerWaalsContact O-N 3.13Å; L259-T263 PolarHBondContact O-OG1 3.41Å
260L88.8Confident86.1Confident78 Ų7858.2 Ų58.241%0.40830%0.296SS..Hα-helixtrans-62.4-31.8176.6-73.4176.5000111.8I256 I257 P264I256-L260 HydrophobicContact CG2-CD1 3.88Å; I256-L260 HydrophobicContact CG2-CG 4.19Å; I256-L260 WeakPolarHBondContact O-CB 3.33Å; I256-L260 WeakPolarHBondContact O-CG 3.44Å; I256-L260 PolarHBondContact O-N 3.44Å; I257-L260 PolarHBondContact O-N 3.28Å; L260-P264 WeakPolarHBondContact O-CD 3.3Å
261A87.4Confident85.6Confident0 Ų058.5 Ų58.50%029%0.294CS..Hα-helixtrans-65.1-44.7175.100000111.3I257 D258 L259 T263 P264 W298I257-A261 WeakPolarHBondContact O-CB 3.36Å; I257-A261 PolarHBondContact O-N 3.17Å; D258-A261 PolarHBondContact O-N 2.93Å; L259-A261 PolarHBondContact O-N 3.01Å; A261-T263 PolarHBondContact O-N 2.9Å; A261-P264 WeakPolarHBondContact O-CD 3.45Å; A261-W298 PolarHBondContact O-NE1 2.97Å
262I89.6Confident85Confident20 Ų2055.3 Ų55.310%0.10329%0.288CS..Hα-helixtrans-77.5-23.2-177.464.5172.6000114I229 F232 D258 L259 Y265 Y266I229-I262 HydrophobicContact CD1-CB 3.75Å; I229-I262 HydrophobicContact CD1-CG2 3.82Å; F232-I262 HydrophobicContact CB-CG2 3.76Å; D258-I262 PolarHBondContact O-N 2.87Å; L259-I262 VanDerWaalsContact O-CG1 3.27Å; L259-I262 WeakPolarHBondContact O-CG1 3.48Å; L259-I262 PolarHBondContact O-N 3.34Å; I262-Y265 PolarHBondContact O-N 3.47Å; I262-Y266 HydrophobicContact CB-CD2 4.32Å; I262-Y266 HydrophobicContact CB-CE2 4.09Å; I262-Y266 HydrophobicContact CD1-CE2 4.33Å; I262-Y266 HydrophobicContact CG1-CE2 4.48Å; I262-Y266 VanDerWaalsContact O-CD2 3.27Å; I262-Y266 WeakPolarHBondContact O-CD2 3.13Å
263T88.1Confident84.6Confident54 Ų5456.1 Ų56.133%0.33130%0.303SS..Hα-helixtrans-56.4-45.6-171-65.80000115.1L259 A261 Y265 Y266 I267L259-T263 WeakPolarHBondContact O-CB 3.5Å; L259-T263 PolarHBondContact O-N 3.3Å; L259-T263 VanDerWaalsContact O-N 3.13Å; L259-T263 PolarHBondContact O-OG1 3.41Å; A261-T263 PolarHBondContact O-N 2.9Å; T263-Y265 VanDerWaalsContact C-N 3.3Å; T263-Y265 PolarHBondContact O-N 3.5Å; T263-Y266 PolarHBondContact O-N 2.8Å; T263-I267 HydrophobicContact CG2-CD1 3.33Å; T263-I267 HydrophobicContact CG2-CG1 3.87Å; T263-I267 WeakPolarHBondContact O-CG1 3.22Å; T263-I267 PolarHBondContact O-N 3.37Å
264P86.2Confident84.1Confident7 Ų759.2 Ų59.25%0.04531%0.306CS..Hα-helixtrans-60.1-36.6-174.6-25.634.8000114L260 A261 S268 L291 M294L260-P264 WeakPolarHBondContact O-CD 3.3Å; A261-P264 WeakPolarHBondContact O-CD 3.45Å; P264-S268 VanDerWaalsContact O-CB 3.31Å; P264-S268 WeakPolarHBondContact O-CB 3.48Å; P264-S268 PolarHBondContact O-N 3.17Å; P264-L291 WeakPolarHBondContact CB-O 3.46Å; P264-M294 HydrophobicContact CB-CB 4.05Å; P264-M294 HydrophobicContact CG-CB 3.58Å
265Y84.9Confident83.3Confident64 Ų6457.5 Ų57.525%0.25130%0.299SS..Hα-helixtrans-66.7-50.5178.6179.9-93.2000111I229 I262 T263 I267 S268 V269I229-Y265 HydrophobicContact CB-CD1 4.48Å; I229-Y265 HydrophobicContact CB-CG 4.31Å; I229-Y265 HydrophobicContact CD1-CG 4.47Å; I229-Y265 HydrophobicContact CG1-CD1 3.82Å; I229-Y265 HydrophobicContact CG1-CG 3.82Å; I229-Y265 HydrophobicContact CG2-CD1 3.98Å; I229-Y265 HydrophobicContact CG2-CD2 4.15Å; I229-Y265 HydrophobicContact CG2-CE1 3.98Å; I229-Y265 HydrophobicContact CG2-CE2 4.16Å; I229-Y265 HydrophobicContact CG2-CG 4.06Å; I262-Y265 PolarHBondContact O-N 3.47Å; T263-Y265 VanDerWaalsContact C-N 3.3Å; T263-Y265 PolarHBondContact O-N 3.5Å; Y265-I267 PolarHBondContact O-N 3.44Å; Y265-S268 WeakPolarHBondContact O-CB 3.44Å; Y265-S268 PolarHBondContact O-N 2.97Å; Y265-S268 VanDerWaalsContact O-N 3.16Å; Y265-V269 HydrophobicContact CD1-CG2 4.28Å; Y265-V269 HydrophobicContact CE1-CG2 3.9Å; Y265-V269 WeakPolarHBondContact O-CG2 3.04Å; Y265-V269 PolarHBondContact O-N 3.27Å
266Y87.3Confident81.8Confident106 Ų10659.2 Ų59.242%0.41632%0.318SS..Hα-helixtrans-64.4-40.3179.8-69.9-71.1000112.2I229 T233 I262 T263 S268 V269 L270I229-Y266 HydrophobicContact CG1-CE2 4.35Å; T233-Y266 WeakPolarHBondContact CB-OH 3.14Å; T233-Y266 HydrophobicContact CG2-CE2 4.33Å; T233-Y266 WeakPolarHBondContact CG2-OH 3.49Å; T233-Y266 PolarHBondContact OG1-OH 3.4Å; I262-Y266 HydrophobicContact CB-CD2 4.32Å; I262-Y266 HydrophobicContact CB-CE2 4.09Å; I262-Y266 HydrophobicContact CD1-CE2 4.33Å; I262-Y266 HydrophobicContact CG1-CE2 4.48Å; I262-Y266 VanDerWaalsContact O-CD2 3.27Å; I262-Y266 WeakPolarHBondContact O-CD2 3.13Å; T263-Y266 PolarHBondContact O-N 2.8Å; Y266-S268 VanDerWaalsContact C-N 3.33Å; Y266-S268 PolarHBondContact O-N 3.45Å; Y266-V269 PolarHBondContact O-N 3.41Å; Y266-L270 WeakPolarHBondContact O-CB 3.32Å; Y266-L270 PolarHBondContact O-N 3.3Å
267I85.6Confident80Confident68 Ų6865.8 Ų65.835%0.34935%0.347SS..Hα-helixtrans-62.3-42.5173.6-65.5-179.9000110.5T263 Y265 V269 L270 M271 L291T263-I267 HydrophobicContact CG2-CD1 3.33Å; T263-I267 HydrophobicContact CG2-CG1 3.87Å; T263-I267 WeakPolarHBondContact O-CG1 3.22Å; T263-I267 PolarHBondContact O-N 3.37Å; Y265-I267 PolarHBondContact O-N 3.44Å; I267-V269 PolarHBondContact O-N 3.15Å; I267-L270 PolarHBondContact O-N 3.39Å; I267-M271 HydrophobicContact CG2-CG 4.15Å; I267-M271 WeakPolarHBondContact O-CB 3.5Å; I267-M271 WeakPolarHBondContact O-CG 3.29Å; I267-M271 PolarHBondContact O-N 3.5Å; I267-L291 HydrophobicContact CB-CD1 4.44Å; I267-L291 HydrophobicContact CB-CD2 4.23Å; I267-L291 HydrophobicContact CG2-CD1 3.73Å; I267-L291 HydrophobicContact CG2-CD2 3.89Å; I267-L291 HydrophobicContact CG2-CG 4.49Å
268S78.7Confident78.4Confident30 Ų3069.3 Ų69.321%0.2137%0.366CS..Hα-helixtrans-60-47.1177.6-1750000111.7P264 Y265 Y266 M271 T272 L288P264-S268 VanDerWaalsContact O-CB 3.31Å; P264-S268 WeakPolarHBondContact O-CB 3.48Å; P264-S268 PolarHBondContact O-N 3.17Å; Y265-S268 WeakPolarHBondContact O-CB 3.44Å; Y265-S268 PolarHBondContact O-N 2.97Å; Y265-S268 VanDerWaalsContact O-N 3.16Å; Y266-S268 VanDerWaalsContact C-N 3.33Å; Y266-S268 PolarHBondContact O-N 3.45Å; S268-M271 PolarHBondContact O-N 3.4Å; S268-T272 WeakPolarHBondContact O-CG2 3.41Å; S268-T272 PolarHBondContact O-N 3.4Å; S268-T272 PolarHBondContact O-OG1 3.46Å; S268-L288 WeakPolarHBondContact OG-CD2 3.47Å
269V79.6Confident76.7Confident61 Ų6175 Ų7537%0.3741%0.406SS..Hα-helixtrans-63.1-46.6177.8173.60000110.6Y265 Y266 I267 M271 T272 V273Y265-V269 HydrophobicContact CD1-CG2 4.28Å; Y265-V269 HydrophobicContact CE1-CG2 3.9Å; Y265-V269 WeakPolarHBondContact O-CG2 3.04Å; Y265-V269 PolarHBondContact O-N 3.27Å; Y266-V269 PolarHBondContact O-N 3.41Å; I267-V269 PolarHBondContact O-N 3.15Å; V269-M271 VanDerWaalsContact C-N 3.33Å; V269-M271 PolarHBondContact O-N 2.97Å; V269-T272 WeakPolarHBondContact CA-OG1 3.49Å; V269-T272 PolarHBondContact O-N 3.03Å; V269-T272 VanDerWaalsContact O-N 3.14Å; V269-T272 PolarHBondContact O-OG1 3.18Å; V269-V273 HydrophobicContact CG1-CG2 4.46Å; V269-V273 WeakPolarHBondContact O-CG2 3.08Å; V269-V273 PolarHBondContact O-N 3.33Å
270L82.6Confident75Confident94 Ų9478.7 Ų78.749%0.49242%0.422SS..Hα-helixtrans-58.3-44.9179.2-166.965.9000111.9Y266 I267 V273 F274Y266-L270 WeakPolarHBondContact O-CB 3.32Å; Y266-L270 PolarHBondContact O-N 3.3Å; I267-L270 PolarHBondContact O-N 3.39Å; L270-V273 PolarHBondContact O-N 3.33Å; L270-F274 HydrophobicContact CD1-CD2 3.76Å; L270-F274 HydrophobicContact CD1-CE2 3.15Å; L270-F274 HydrophobicContact CD1-CZ 3.96Å; L270-F274 HydrophobicContact CD2-CD2 4.5Å; L270-F274 HydrophobicContact CD2-CE2 4.05Å; L270-F274 HydrophobicContact CG-CD2 3.61Å; L270-F274 HydrophobicContact CG-CE2 3.39Å; L270-F274 WeakPolarHBondContact O-CD2 2.96Å; L270-F274 PolarHBondContact O-N 2.87Å
271M75.1Confident73.4Confident70 Ų7081 Ų8135%0.34543%0.434SS..Hα-helixtrans-62.8-44.6175.3-71.8-69.7-75.400111.2I267 S268 V269 V273 F274 T275 T287I267-M271 HydrophobicContact CG2-CG 4.15Å; I267-M271 WeakPolarHBondContact O-CB 3.5Å; I267-M271 WeakPolarHBondContact O-CG 3.29Å; I267-M271 PolarHBondContact O-N 3.5Å; S268-M271 PolarHBondContact O-N 3.4Å; V269-M271 VanDerWaalsContact C-N 3.33Å; V269-M271 PolarHBondContact O-N 2.97Å; M271-V273 VanDerWaalsContact C-N 3.27Å; M271-V273 PolarHBondContact O-N 3.02Å; M271-F274 PolarHBondContact O-N 3.22Å; M271-T275 WeakPolarHBondContact O-CB 3.34Å; M271-T275 PolarHBondContact O-N 2.99Å; M271-T275 PolarHBondContact O-OG1 3.29Å; M271-T287 HydrophobicContact CE-CG2 4.46Å
272T72.6Confident71.8Confident85 Ų8589.6 Ų89.652%0.52147%0.474SS..Hα-helixtrans-62.9-33.3178.552.10000113.2S268 V269S268-T272 WeakPolarHBondContact O-CG2 3.41Å; S268-T272 PolarHBondContact O-N 3.4Å; S268-T272 PolarHBondContact O-OG1 3.46Å; V269-T272 WeakPolarHBondContact CA-OG1 3.49Å; V269-T272 PolarHBondContact O-N 3.03Å; V269-T272 VanDerWaalsContact O-N 3.14Å; V269-T272 PolarHBondContact O-OG1 3.18Å
273V75.6Confident70.2Confident109 Ų10998.9 Ų98.966%0.66151%0.508SS*.Hα-helixtrans-75.7-43.2178.5173.90000111.5V269 L270 M271V269-V273 HydrophobicContact CG1-CG2 4.46Å; V269-V273 WeakPolarHBondContact O-CG2 3.08Å; V269-V273 PolarHBondContact O-N 3.33Å; L270-V273 PolarHBondContact O-N 3.33Å; M271-V273 VanDerWaalsContact C-N 3.27Å; M271-V273 PolarHBondContact O-N 3.02Å
274F73.7Confident69Low160 Ų16096.8 Ų96.870%0.70250%0.496SS*.Hα-helixtrans-78.1-27.6-177.5-74.4-56.1000114.5L270 M271 G276L270-F274 HydrophobicContact CD1-CD2 3.76Å; L270-F274 HydrophobicContact CD1-CE2 3.15Å; L270-F274 HydrophobicContact CD1-CZ 3.96Å; L270-F274 HydrophobicContact CD2-CD2 4.5Å; L270-F274 HydrophobicContact CD2-CE2 4.05Å; L270-F274 HydrophobicContact CG-CD2 3.61Å; L270-F274 HydrophobicContact CG-CE2 3.39Å; L270-F274 WeakPolarHBondContact O-CD2 2.96Å; L270-F274 PolarHBondContact O-N 2.87Å; M271-F274 PolarHBondContact O-N 3.22Å; F274-G276 VanDerWaalsContact C-N 3.3Å; F274-G276 PolarHBondContact O-N 3.01Å
275T67.5Low68Low24 Ų2498.2 Ų98.215%0.14751%0.512CS..THydrogen-bonded Turntrans-92.319.1-172.6-26.10000113.5M271 E277 Q280M271-T275 WeakPolarHBondContact O-CB 3.34Å; M271-T275 PolarHBondContact O-N 2.99Å; M271-T275 PolarHBondContact O-OG1 3.29Å; T275-E277 PolarHBondContact O-N 3.11Å; T275-Q280 HydrophobicContact CG2-CB 4.01Å
276G57.1Low67.2Low43 Ų4399.6 Ų99.644%0.44353%0.527SS..THydrogen-bonded Turntrans-39.9131.9-175.300000114.6F274 N278F274-G276 VanDerWaalsContact C-N 3.3Å; F274-G276 PolarHBondContact O-N 3.01Å; G276-N278 PolarHBondContact O-N 3.15Å; G276-N278 PolarHBondContact O-ND2 3.04Å
277E51.3Low66.4Low209 Ų20997.5 Ų97.598%0.97753%0.525SS*.THydrogen-bonded Turntrans39.78.9172.2-78.3-168134.200120.3T275T275-E277 PolarHBondContact O-N 3.11Å
278N55.7Low65.6Low114 Ų11496.8 Ų96.861%0.6152%0.522SS*.SBendtrans-99152.1-177.2-73-50.9000112.8G276 Q280 L281G276-N278 PolarHBondContact O-N 3.15Å; G276-N278 PolarHBondContact O-ND2 3.04Å; N278-Q280 PolarHBondContact O-N 3.1Å; N278-L281 PolarHBondContact O-N 3.06Å
279S53.7Low65.3Low122 Ų122103.8 Ų103.885%0.85354%0.544SS*.THydrogen-bonded Turntrans-570.5-177.452.40000116.4L281S279-L281 PolarHBondContact O-N 3.16Å
280Q54.3Low65.1Low135 Ų135104.3 Ų104.363%0.63155%0.547SS*.THydrogen-bonded Turntrans-69.6-6.9166.5-68.8-159.1100113.8T275 N278 Q282 R283 A284T275-Q280 HydrophobicContact CG2-CB 4.01Å; N278-Q280 PolarHBondContact O-N 3.1Å; Q280-Q282 PolarHBondContact O-N 2.9Å; Q280-Q282 VanDerWaalsContact O-N 3.16Å; Q280-R283 PolarHBondContact O-N 3.17Å; Q280-A284 PolarHBondContact O-N 3.45Å
281L54.6Low64.8Low126 Ų126100.8 Ų100.866%0.6653%0.529SS*.Hα-helixtrans-56.9-29.5-178-157.167.5000114.1N278 S279 A284 G285N278-L281 PolarHBondContact O-N 3.06Å; S279-L281 PolarHBondContact O-N 3.16Å; L281-A284 PolarHBondContact O-N 3.36Å; L281-G285 PolarHBondContact O-N 2.95Å
282Q54.3Low64.8Low180 Ų180103.1 Ų103.184%0.84153%0.534SS*.Hα-helixtrans-69.1-38.7175.8-108.3-169.9-25.200113Q280 G285Q280-Q282 PolarHBondContact O-N 2.9Å; Q280-Q282 VanDerWaalsContact O-N 3.16Å; Q282-G285 PolarHBondContact O-N 2.9Å
283R56.3Low64.9Low215 Ų215104.1 Ų104.181%0.81153%0.534SS*.Hα-helixtrans-76.3-34176.2-154176.9-83-177.3-4.5110.4Q280 G285 V286 T287Q280-R283 PolarHBondContact O-N 3.17Å; R283-G285 VanDerWaalsContact C-N 3.28Å; R283-G285 PolarHBondContact O-N 3.36Å; R283-V286 PolarHBondContact O-N 3.38Å; R283-T287 PolarHBondContact O-N 3.16Å; R283-T287 PolarHBondContact O-OG1 2.98Å
284A61.7Low65.2Low11 Ų11102.4 Ų102.49%0.09152%0.519CS..Hα-helixtrans-61.4-33.4170.500000112.6Q280 L281 V286 T287 L288Q280-A284 PolarHBondContact O-N 3.45Å; L281-A284 PolarHBondContact O-N 3.36Å; A284-V286 PolarHBondContact O-N 2.99Å; A284-T287 PolarHBondContact O-N 2.92Å; A284-L288 WeakPolarHBondContact O-CB 3.39Å; A284-L288 WeakPolarHBondContact O-CG 3.43Å; A284-L288 PolarHBondContact O-N 3.48Å
285G67Low65.5Low36 Ų3696.3 Ų96.337%0.37149%0.491SS..Hα-helixtrans-60.9-38.5177.400000114.3L281 Q282 R283 R289L281-G285 PolarHBondContact O-N 2.95Å; Q282-G285 PolarHBondContact O-N 2.9Å; R283-G285 VanDerWaalsContact C-N 3.28Å; R283-G285 PolarHBondContact O-N 3.36Å; G285-R289 WeakPolarHBondContact O-CB 3.45Å; G285-R289 PolarHBondContact O-N 2.92Å
286V68Low66.2Low94 Ų9499.8 Ų99.857%0.5751%0.508SS*.Hα-helixtrans-70.5-45.4174.71800000110.2R283 A284 L288 R289 V290R283-V286 PolarHBondContact O-N 3.38Å; A284-V286 PolarHBondContact O-N 2.99Å; V286-L288 PolarHBondContact O-N 3.38Å; V286-R289 WeakPolarHBondContact O-CB 3.49Å; V286-R289 PolarHBondContact O-N 2.71Å; V286-R289 VanDerWaalsContact O-N 3.15Å; V286-V290 WeakPolarHBondContact O-CG2 3.48Å; V286-V290 PolarHBondContact O-N 3.31Å
287T69.2Low67.5Low61 Ų61100.8 Ų100.837%0.37450%0.5SS..Hα-helixtrans-61-43177.9-56.90000112.2M271 R283 A284 R289 V290 L291M271-T287 HydrophobicContact CE-CG2 4.46Å; R283-T287 PolarHBondContact O-N 3.16Å; R283-T287 PolarHBondContact O-OG1 2.98Å; A284-T287 PolarHBondContact O-N 2.92Å; T287-R289 VanDerWaalsContact C-N 3.3Å; T287-R289 PolarHBondContact O-N 3.37Å; T287-V290 PolarHBondContact O-N 3.4Å; T287-L291 HydrophobicContact CG2-CD1 4.18Å; T287-L291 HydrophobicContact CG2-CG 4.49Å; T287-L291 WeakPolarHBondContact O-CG 3.34Å; T287-L291 PolarHBondContact O-N 3.31Å
288L69.9Low69.1Low53 Ų5391.1 Ų91.128%0.27746%0.455SS..Hα-helixtrans-64.4-34.2175.8-70.9170.5000112S268 A284 V286 L291 R292S268-L288 WeakPolarHBondContact OG-CD2 3.47Å; A284-L288 WeakPolarHBondContact O-CB 3.39Å; A284-L288 WeakPolarHBondContact O-CG 3.43Å; A284-L288 PolarHBondContact O-N 3.48Å; V286-L288 PolarHBondContact O-N 3.38Å; L288-L291 HydrophobicContact CD2-CD1 4.46Å; L288-R292 WeakPolarHBondContact O-CB 3.39Å; L288-R292 PolarHBondContact O-N 2.94Å
289R70.8Confident70.5Confident177 Ų17787.8 Ų87.867%0.66844%0.438SS*.Hα-helixtrans-65.5-42.9173.7-170-178.7-62.5-179.20.7111.5G285 V286 T287 R292 M293G285-R289 WeakPolarHBondContact O-CB 3.45Å; G285-R289 PolarHBondContact O-N 2.92Å; V286-R289 WeakPolarHBondContact O-CB 3.49Å; V286-R289 PolarHBondContact O-N 2.71Å; V286-R289 VanDerWaalsContact O-N 3.15Å; T287-R289 VanDerWaalsContact C-N 3.3Å; T287-R289 PolarHBondContact O-N 3.37Å; R289-R292 PolarHBondContact O-N 2.99Å; R289-M293 PolarHBondContact O-N 3.05Å
290V76.8Confident72Confident72 Ų7285.4 Ų85.444%0.43642%0.416SS..Hα-helixtrans-65.2-45.5175.41750000110.9V286 T287 R292 M293 M294V286-V290 WeakPolarHBondContact O-CG2 3.48Å; V286-V290 PolarHBondContact O-N 3.31Å; T287-V290 PolarHBondContact O-N 3.4Å; V290-R292 PolarHBondContact O-N 3.47Å; V290-M293 WeakPolarHBondContact O-CA 3.29Å; V290-M293 WeakPolarHBondContact O-CB 3.46Å; V290-M293 PolarHBondContact O-N 2.81Å; V290-M294 HydrophobicContact CG1-CE 3.98Å; V290-M294 WeakPolarHBondContact O-CG 3.33Å; V290-M294 PolarHBondContact O-N 3.32Å
291L75.8Confident73.5Confident21 Ų2179.1 Ų79.111%0.1139%0.386CS..Hα-helixtrans-60.3-34.8176.7-71.2171.5000112.4P264 I267 T287 L288 M293 M294P264-L291 WeakPolarHBondContact CB-O 3.46Å; I267-L291 HydrophobicContact CB-CD1 4.44Å; I267-L291 HydrophobicContact CB-CD2 4.23Å; I267-L291 HydrophobicContact CG2-CD1 3.73Å; I267-L291 HydrophobicContact CG2-CD2 3.89Å; I267-L291 HydrophobicContact CG2-CG 4.49Å; T287-L291 HydrophobicContact CG2-CD1 4.18Å; T287-L291 HydrophobicContact CG2-CG 4.49Å; T287-L291 WeakPolarHBondContact O-CG 3.34Å; T287-L291 PolarHBondContact O-N 3.31Å; L288-L291 HydrophobicContact CD2-CD1 4.46Å; L291-M293 VanDerWaalsContact C-N 3.32Å; L291-M293 PolarHBondContact O-N 3.07Å; L291-M294 WeakPolarHBondContact O-CB 3.28Å; L291-M294 PolarHBondContact O-N 3.23Å
292R75.5Confident74.9Confident119 Ų11975.8 Ų75.845%0.44937%0.369SS..Hα-helixtrans-64.1-37.5173-166.4179-66.8171.3-1.4112L288 R289 V290 R295L288-R292 WeakPolarHBondContact O-CB 3.39Å; L288-R292 PolarHBondContact O-N 2.94Å; R289-R292 PolarHBondContact O-N 2.99Å; V290-R292 PolarHBondContact O-N 3.47Å; R292-R295 VanDerWaalsContact O-CB 3.3Å; R292-R295 WeakPolarHBondContact O-CB 3.45Å; R292-R295 WeakPolarHBondContact O-CD 3.46Å; R292-R295 VanDerWaalsContact O-CG 3.22Å; R292-R295 WeakPolarHBondContact O-CG 3.38Å; R292-R295 PolarHBondContact O-N 2.74Å
293M75.2Confident76.3Confident106 Ų10667.7 Ų67.752%0.52233%0.332SS..Hα-helixtrans-71.6-31175-65.3-59.8171.700112.7R289 V290 L291 R295 I296R289-M293 PolarHBondContact O-N 3.05Å; V290-M293 WeakPolarHBondContact O-CA 3.29Å; V290-M293 WeakPolarHBondContact O-CB 3.46Å; V290-M293 PolarHBondContact O-N 2.81Å; L291-M293 VanDerWaalsContact C-N 3.32Å; L291-M293 PolarHBondContact O-N 3.07Å; M293-R295 PolarHBondContact O-N 3.35Å; M293-I296 WeakPolarHBondContact O-CB 3.22Å; M293-I296 VanDerWaalsContact O-CG2 3.26Å; M293-I296 WeakPolarHBondContact O-CG2 3.47Å; M293-I296 PolarHBondContact O-N 2.76Å
294M81Confident77.6Confident72 Ų7258.9 Ų58.936%0.35530%0.299SS..G310 helixtrans-60.7-15.4174.8-65.3-55.4-175.500113.4P264 V290 L291 I296 F297P264-M294 HydrophobicContact CB-CB 4.05Å; P264-M294 HydrophobicContact CG-CB 3.58Å; V290-M294 HydrophobicContact CG1-CE 3.98Å; V290-M294 WeakPolarHBondContact O-CG 3.33Å; V290-M294 PolarHBondContact O-N 3.32Å; L291-M294 WeakPolarHBondContact O-CB 3.28Å; L291-M294 PolarHBondContact O-N 3.23Å; M294-I296 PolarHBondContact O-N 2.67Å; M294-I296 VanDerWaalsContact O-N 3.11Å; M294-F297 HydrophobicContact CB-CD2 4.02Å; M294-F297 HydrophobicContact CB-CE2 3.94Å; M294-F297 HydrophobicContact CG-CE2 4.09Å; M294-F297 WeakPolarHBondContact O-CB 3.02Å; M294-F297 WeakPolarHBondContact O-CD2 3.42Å; M294-F297 WeakPolarHBondContact O-CG 3.41Å; M294-F297 PolarHBondContact O-N 3.47Å; M294-F297 HydrophobicContact SD-CD2 4.24Å; M294-F297 HydrophobicContact SD-CE2 3.29Å; M294-F297 WeakPolarHBondContact SD-CE2 3.31Å; M294-F297 HydrophobicContact SD-CZ 3.6Å
295R80.6Confident78.6Confident33 Ų3360.4 Ų60.413%0.12530%0.304CS..G310 helixtrans-60-16.4169.7-59.7174.8-171.6-172.9-6112.9L188 E225 R292 M293 F297 W298L188-R295 HydrophobicContact CD1-CB 4.05Å; L188-R295 HydrophobicContact CD2-CB 4.28Å; E225-R295 IonicContact OE1-CZ 3.33Å; E225-R295 IonicContact OE1-NE 3.95Å; E225-R295 PolarHBondContact OE1-NE 3.3Å; E225-R295 IonicContact OE1-NH1 3.85Å; E225-R295 PolarHBondContact OE1-NH1 3.31Å; E225-R295 IonicContact OE1-NH2 3.15Å; E225-R295 PolarHBondContact OE1-NH2 3.48Å; E225-R295 IonicContact OE2-CZ 3.29Å; E225-R295 IonicContact OE2-NH1 3.76Å; E225-R295 PolarHBondContact OE2-NH1 3.17Å; E225-R295 IonicContact OE2-NH2 2.72Å; E225-R295 PolarHBondContact OE2-NH2 2.9Å; R292-R295 VanDerWaalsContact O-CB 3.3Å; R292-R295 WeakPolarHBondContact O-CB 3.45Å; R292-R295 WeakPolarHBondContact O-CD 3.46Å; R292-R295 VanDerWaalsContact O-CG 3.22Å; R292-R295 WeakPolarHBondContact O-CG 3.38Å; R292-R295 PolarHBondContact O-N 2.74Å; M293-R295 PolarHBondContact O-N 3.35Å; R295-F297 PolarHBondContact O-N 3.48Å; R295-F297 VanDerWaalsContact O-N 3.17Å; R295-W298 HydrophobicContact CB-CD2 4.05Å; R295-W298 HydrophobicContact CB-CE3 4.27Å; R295-W298 HydrophobicContact CB-CZ2 4.32Å; R295-W298 HydrophobicContact CG-CH2 4.19Å; R295-W298 HydrophobicContact CG-CZ2 3.89Å; R295-W298 WeakPolarHBondContact O-CB 3.34Å; R295-W298 PolarHBondContact O-N 3.33Å
296I82.5Confident79.3Confident97 Ų9765 Ų6550%0.49731%0.314SS..G310 helixtrans-58.5-25170.3-159.7164.7000112.5M293 M294 W298 V299M293-I296 WeakPolarHBondContact O-CB 3.22Å; M293-I296 VanDerWaalsContact O-CG2 3.26Å; M293-I296 WeakPolarHBondContact O-CG2 3.47Å; M293-I296 PolarHBondContact O-N 2.76Å; M294-I296 PolarHBondContact O-N 2.67Å; M294-I296 VanDerWaalsContact O-N 3.11Å; I296-W298 PolarHBondContact O-N 2.67Å; I296-W298 VanDerWaalsContact O-N 3.15Å; I296-V299 VanDerWaalsContact O-CB 3.31Å; I296-V299 WeakPolarHBondContact O-CB 3.38Å; I296-V299 PolarHBondContact O-N 3.21Å
297F84Confident79.9Confident63 Ų6364.5 Ų64.528%0.27631%0.308SS..Hα-helixtrans-60.5-22.3172.6-62.8-43.1000112.9M294 R295 V299 I300M294-F297 HydrophobicContact CB-CD2 4.02Å; M294-F297 HydrophobicContact CB-CE2 3.94Å; M294-F297 HydrophobicContact CG-CE2 4.09Å; M294-F297 WeakPolarHBondContact O-CB 3.02Å; M294-F297 WeakPolarHBondContact O-CD2 3.42Å; M294-F297 WeakPolarHBondContact O-CG 3.41Å; M294-F297 PolarHBondContact O-N 3.47Å; M294-F297 HydrophobicContact SD-CD2 4.24Å; M294-F297 HydrophobicContact SD-CE2 3.29Å; M294-F297 WeakPolarHBondContact SD-CE2 3.31Å; M294-F297 HydrophobicContact SD-CZ 3.6Å; R295-F297 PolarHBondContact O-N 3.48Å; R295-F297 VanDerWaalsContact O-N 3.17Å; F297-V299 PolarHBondContact O-N 3.36Å; F297-I300 HydrophobicContact CD1-CD1 3.81Å; F297-I300 WeakPolarHBondContact O-CB 3.37Å; F297-I300 PolarHBondContact O-N 3.02Å; F297-I300 VanDerWaalsContact O-N 3.1Å
298W84.1Confident80.4Confident7 Ų762.4 Ų62.43%0.02730%0.298CS..Hα-helixtrans-62.6-33.4174.4-56.9-2000111.2V181 S184 E225 I229 F232 A261 R295 I296 I300 K301V181-W298 WeakPolarHBondContact CG1-O 3.35Å; S184-W298 VanDerWaalsContact CB-CE3 3.45Å; E225-W298 HydrophobicContact CG-CH2 3.68Å; E225-W298 HydrophobicContact CG-CZ3 4.3Å; I229-W298 HydrophobicContact CD1-CZ2 4.47Å; F232-W298 HydrophobicContact CE2-CB 4.46Å; F232-W298 HydrophobicContact CE2-CD2 4.3Å; F232-W298 HydrophobicContact CE2-CE3 4.47Å; F232-W298 HydrophobicContact CE2-CG 4.33Å; A261-W298 PolarHBondContact O-NE1 2.97Å; R295-W298 HydrophobicContact CB-CD2 4.05Å; R295-W298 HydrophobicContact CB-CE3 4.27Å; R295-W298 HydrophobicContact CB-CZ2 4.32Å; R295-W298 HydrophobicContact CG-CH2 4.19Å; R295-W298 HydrophobicContact CG-CZ2 3.89Å; R295-W298 WeakPolarHBondContact O-CB 3.34Å; R295-W298 PolarHBondContact O-N 3.33Å; I296-W298 PolarHBondContact O-N 2.67Å; I296-W298 VanDerWaalsContact O-N 3.15Å; W298-I300 VanDerWaalsContact C-N 3.3Å; W298-I300 PolarHBondContact O-N 2.92Å; W298-K301 WeakPolarHBondContact O-CB 3.37Å; W298-K301 PolarHBondContact O-N 3.48Å
299V85.7Confident80.9Confident43 Ų4363 Ų6326%0.26130%0.301SS..Hα-helixtrans-66-36.1175.9-175.70000110.8M185 I296 F297 K301 L302M185-V299 HydrophobicContact CE-CG2 3.72Å; M185-V299 HydrophobicContact CG-CG2 4.32Å; M185-V299 HydrophobicContact SD-CG2 3.35Å; M185-V299 WeakPolarHBondContact SD-CG2 3.49Å; I296-V299 VanDerWaalsContact O-CB 3.31Å; I296-V299 WeakPolarHBondContact O-CB 3.38Å; I296-V299 PolarHBondContact O-N 3.21Å; F297-V299 PolarHBondContact O-N 3.36Å; V299-K301 PolarHBondContact O-N 2.72Å; V299-K301 VanDerWaalsContact O-N 3.16Å; V299-L302 HydrophobicContact CG1-CD1 3.97Å; V299-L302 VanDerWaalsContact O-CB 3.3Å; V299-L302 WeakPolarHBondContact O-CB 3.38Å; V299-L302 WeakPolarHBondContact O-CD1 3.37Å; V299-L302 PolarHBondContact O-N 2.95Å
300I85.4Confident81.4Confident73 Ų7357.6 Ų57.637%0.37428%0.283SS..Hα-helixtrans-63.7-24.5178.6-52.4-176.4000110.8I257 F297 W298 L302 A303I257-I300 HydrophobicContact CD1-CG2 3.81Å; I257-I300 HydrophobicContact CG1-CG2 4.03Å; I257-I300 HydrophobicContact CG2-CB 4.04Å; I257-I300 HydrophobicContact CG2-CG2 3.8Å; F297-I300 HydrophobicContact CD1-CD1 3.81Å; F297-I300 WeakPolarHBondContact O-CB 3.37Å; F297-I300 PolarHBondContact O-N 3.02Å; F297-I300 VanDerWaalsContact O-N 3.1Å; W298-I300 VanDerWaalsContact C-N 3.3Å; W298-I300 PolarHBondContact O-N 2.92Å; I300-L302 PolarHBondContact O-N 3.13Å; I300-L302 VanDerWaalsContact O-N 3.17Å; I300-A303 WeakPolarHBondContact O-CB 3.41Å; I300-A303 PolarHBondContact O-N 2.95Å
301K84.8Confident81.5Confident3 Ų354.2 Ų54.21%0.01326%0.262CS..G310 helixtrans-59-25.2173.1-167.3171.6176177.70113.3V181 F232 E235 D258 W298 V299 A303 R304V181-K301 HydrophobicContact CG2-CB 4.37Å; V181-K301 HydrophobicContact CG2-CD 4.36Å; V181-K301 HydrophobicContact CG2-CG 4.5Å; F232-K301 HydrophobicContact CD1-CD 4.23Å; F232-K301 HydrophobicContact CE1-CD 4.3Å; E235-K301 IonicContact OE1-NZ 3.91Å; E235-K301 WeakPolarHBondContact OE2-CE 3.45Å; E235-K301 IonicContact OE2-NZ 2.94Å; E235-K301 PolarHBondContact OE2-NZ 3.3Å; D258-K301 WeakPolarHBondContact OD1-CE 3.43Å; D258-K301 WeakPolarHBondContact OD1-CG 3.23Å; W298-K301 WeakPolarHBondContact O-CB 3.37Å; W298-K301 PolarHBondContact O-N 3.48Å; V299-K301 PolarHBondContact O-N 2.72Å; V299-K301 VanDerWaalsContact O-N 3.16Å; K301-A303 PolarHBondContact O-N 3.36Å; K301-R304 WeakPolarHBondContact O-CB 3.45Å; K301-R304 PolarHBondContact O-N 3.37Å
302L85.4Confident82Confident56 Ų5656.7 Ų56.729%0.29328%0.276SS..G310 helixtrans-55.3-24.9170.5-83.6118.1000112.3V181 V299 I300 R304 H305 F306V181-L302 HydrophobicContact CB-CD1 4.45Å; V181-L302 HydrophobicContact CG1-CD1 3.32Å; V181-L302 HydrophobicContact CG1-CG 3.91Å; V299-L302 HydrophobicContact CG1-CD1 3.97Å; V299-L302 VanDerWaalsContact O-CB 3.3Å; V299-L302 WeakPolarHBondContact O-CB 3.38Å; V299-L302 WeakPolarHBondContact O-CD1 3.37Å; V299-L302 PolarHBondContact O-N 2.95Å; I300-L302 PolarHBondContact O-N 3.13Å; I300-L302 VanDerWaalsContact O-N 3.17Å; L302-R304 PolarHBondContact O-N 2.95Å; L302-R304 VanDerWaalsContact O-N 3.16Å; L302-H305 PolarHBondContact O-N 2.88Å; L302-F306 PolarHBondContact O-N 2.96Å
303A83.7Confident82.4Confident9 Ų953 Ų537%0.07427%0.274CS..G310 helixtrans-56.4-30.5175.900000112.9I300 K301 H305 L309 Q310I300-A303 WeakPolarHBondContact O-CB 3.41Å; I300-A303 PolarHBondContact O-N 2.95Å; K301-A303 PolarHBondContact O-N 3.36Å; A303-H305 VanDerWaalsContact C-N 3.29Å; A303-H305 PolarHBondContact O-N 3.18Å; A303-L309 HydrophobicContact CB-CB 4.33Å; A303-L309 HydrophobicContact CB-CD2 3.55Å; A303-L309 HydrophobicContact CB-CG 3.7Å; A303-Q310 WeakPolarHBondContact O-CG 3.35Å; A303-Q310 PolarHBondContact O-NE2 3.25Å
304R82.4Confident82.6Confident30 Ų3051.2 Ų51.211%0.11327%0.267CS..G310 helixtrans-67.8-31175.9-179175.9-67.8-76.44.9112.7L254 N255 D258 K301 L302 Q310L254-R304 PolarHBondContact O-NH2 2.94Å; N255-R304 PolarHBondContact OD1-NH2 3.26Å; D258-R304 IonicContact OD1-NE 3.91Å; D258-R304 IonicContact OD2-CZ 3.51Å; D258-R304 VanDerWaalsContact OD2-CZ 3.31Å; D258-R304 IonicContact OD2-NE 3.63Å; D258-R304 PolarHBondContact OD2-NE 3.46Å; D258-R304 VanDerWaalsContact OD2-NE 3.16Å; D258-R304 IonicContact OD2-NH2 3.91Å; D258-R304 PolarHBondContact OD2-NH2 2.97Å; K301-R304 WeakPolarHBondContact O-CB 3.45Å; K301-R304 PolarHBondContact O-N 3.37Å; L302-R304 PolarHBondContact O-N 2.95Å; L302-R304 VanDerWaalsContact O-N 3.16Å; R304-Q310 PolarHBondContact O-NE2 2.96Å
305H82.1Confident82.7Confident43 Ų4347.8 Ų47.820%0.19925%0.25CC..THydrogen-bonded Turntrans-101.1-23.6-172.9-57.7-68.3000112.7V178 L302 A303V178-H305 HydrophobicContact CG2-CB 3.57Å; L302-H305 PolarHBondContact O-N 2.88Å; A303-H305 VanDerWaalsContact C-N 3.29Å; A303-H305 PolarHBondContact O-N 3.18Å
306F83.5Confident82.9Confident132 Ų13250.1 Ų50.158%0.57926%0.264SS*.  trans-101.9105-179.4-165.8-110.3000111.4L302 G308 L309 Q310L302-F306 PolarHBondContact O-N 2.96Å; F306-G308 PolarHBondContact O-N 3.24Å; F306-G308 VanDerWaalsContact O-N 3.16Å; F306-L309 HydrophobicContact CB-CB 4.38Å; F306-L309 HydrophobicContact CD1-CB 3.91Å; F306-L309 VanDerWaalsContact CD1-N 3.3Å; F306-L309 PolarHBondContact O-N 3.01Å; F306-Q310 PolarHBondContact O-N 2.87Å
307I79Confident83Confident85 Ų8553.2 Ų53.244%0.43627%0.274SS..Hα-helixtrans-52.4-39.3178.2-63.5167.8000110.8L309 Q310 T311I307-L309 VanDerWaalsContact C-N 3.27Å; I307-L309 PolarHBondContact O-N 3.36Å; I307-Q310 WeakPolarHBondContact O-CB 3.22Å; I307-Q310 PolarHBondContact O-N 3.28Å; I307-Q310 VanDerWaalsContact O-N 3.16Å; I307-T311 PolarHBondContact O-N 2.98Å; I307-T311 PolarHBondContact O-OG1 3.17Å
308G79.4Confident82.9Confident16 Ų1655.9 Ų55.917%0.16528%0.282CS..Hα-helixtrans-59.4-34.3179.200000114F306 L312F306-G308 PolarHBondContact O-N 3.24Å; F306-G308 VanDerWaalsContact O-N 3.16Å; G308-L312 PolarHBondContact O-N 2.93Å
309L81.8Confident82.9Confident65 Ų6555.6 Ų55.634%0.3428%0.282SS..Hα-helixtrans-79.8-31.1179.4-173.254.5000111.2A303 F306 I307 L312 G313A303-L309 HydrophobicContact CB-CB 4.33Å; A303-L309 HydrophobicContact CB-CD2 3.55Å; A303-L309 HydrophobicContact CB-CG 3.7Å; F306-L309 HydrophobicContact CB-CB 4.38Å; F306-L309 HydrophobicContact CD1-CB 3.91Å; F306-L309 VanDerWaalsContact CD1-N 3.3Å; F306-L309 PolarHBondContact O-N 3.01Å; I307-L309 VanDerWaalsContact C-N 3.27Å; I307-L309 PolarHBondContact O-N 3.36Å; L309-L312 HydrophobicContact CD1-CB 4.48Å; L309-L312 HydrophobicContact CD1-CD2 3.99Å; L309-L312 PolarHBondContact O-N 2.95Å; L309-G313 PolarHBondContact O-N 3Å
310Q81.5Confident82.9Confident65 Ų6560.1 Ų60.130%0.30430%0.295SS..Hα-helixtrans-64.8-45.5168.7-57.8-178.7-2.900111.1A303 R304 F306 I307 L312 G313 L314A303-Q310 WeakPolarHBondContact O-CG 3.35Å; A303-Q310 PolarHBondContact O-NE2 3.25Å; R304-Q310 PolarHBondContact O-NE2 2.96Å; F306-Q310 PolarHBondContact O-N 2.87Å; I307-Q310 WeakPolarHBondContact O-CB 3.22Å; I307-Q310 PolarHBondContact O-N 3.28Å; I307-Q310 VanDerWaalsContact O-N 3.16Å; Q310-L312 VanDerWaalsContact C-N 3.3Å; Q310-L312 PolarHBondContact O-N 3.41Å; Q310-G313 PolarHBondContact O-N 2.94Å; Q310-L314 PolarHBondContact O-N 2.93Å
311T79.3Confident83Confident0 Ų065.2 Ų65.20%031%0.309CS..Hα-helixtrans-57.8-45.3174.3-54.90000110.5I307 G313 L314 T315 F412 C415 L419I307-T311 PolarHBondContact O-N 2.98Å; I307-T311 PolarHBondContact O-OG1 3.17Å; T311-G313 PolarHBondContact O-N 3.16Å; T311-L314 PolarHBondContact O-N 2.84Å; T311-T315 VanDerWaalsContact O-CB 3.29Å; T311-T315 WeakPolarHBondContact O-CB 3.26Å; T311-T315 PolarHBondContact O-N 3.16Å; T311-T315 PolarHBondContact O-OG1 3.01Å; T311-F412 HydrophobicContact CG2-CD2 3.7Å; T311-F412 HydrophobicContact CG2-CE2 3.55Å; T311-F412 HydrophobicContact CG2-CG 4.34Å; T311-F412 HydrophobicContact CG2-CZ 4.07Å; T311-C415 HydrophobicContact CG2-CB 3.89Å; T311-L419 HydrophobicContact CG2-CD1 4.34Å; T311-L419 VanDerWaalsContact OG1-CD1 3.28Å; T311-L419 WeakPolarHBondContact OG1-CD1 3.46Å
312L84.7Confident83Confident74 Ų7469.3 Ų69.339%0.38733%0.328SS..Hα-helixtrans-59-47.6176.8-175.566.3000111.3G308 L309 Q310 L314 T315 L316 F412G308-L312 PolarHBondContact O-N 2.93Å; L309-L312 HydrophobicContact CD1-CB 4.48Å; L309-L312 HydrophobicContact CD1-CD2 3.99Å; L309-L312 PolarHBondContact O-N 2.95Å; Q310-L312 VanDerWaalsContact C-N 3.3Å; Q310-L312 PolarHBondContact O-N 3.41Å; L312-L314 PolarHBondContact O-N 3.47Å; L312-T315 WeakPolarHBondContact O-CB 3.39Å; L312-T315 PolarHBondContact O-N 2.98Å; L312-L316 HydrophobicContact CG-CD1 4.27Å; L312-L316 WeakPolarHBondContact O-CB 3.31Å; L312-L316 VanDerWaalsContact O-CG 3.32Å; L312-L316 WeakPolarHBondContact O-CG 3.3Å; L312-L316 PolarHBondContact O-N 3.26Å; L312-F412 HydrophobicContact CB-CE2 4.48Å
313G83.7Confident83.1Confident41 Ų4168.4 Ų68.442%0.42332%0.323SS..Hα-helixtrans-61.3-43177.700000113.3L309 Q310 T311 L316 K317L309-G313 PolarHBondContact O-N 3Å; Q310-G313 PolarHBondContact O-N 2.94Å; T311-G313 PolarHBondContact O-N 3.16Å; G313-L316 PolarHBondContact O-N 2.87Å; G313-K317 WeakPolarHBondContact O-CB 3.29Å; G313-K317 PolarHBondContact O-N 2.63Å
314L79.5Confident83.4Confident68 Ų6872 Ų7236%0.35634%0.344SS..Hα-helixtrans-65.3-41.2175.5-176.763.2000111.7Q310 T311 L312 K317 R318 C415 L419Q310-L314 PolarHBondContact O-N 2.93Å; T311-L314 PolarHBondContact O-N 2.84Å; L312-L314 PolarHBondContact O-N 3.47Å; L314-K317 PolarHBondContact O-N 2.81Å; L314-R318 WeakPolarHBondContact O-CB 3.27Å; L314-R318 PolarHBondContact O-N 3.34Å; L314-C415 HydrophobicContact CD2-CB 4.31Å; L314-L419 HydrophobicContact CD2-CD1 4.16Å; L314-L419 HydrophobicContact CD2-CD2 4.5Å; L314-L419 HydrophobicContact CD2-CG 4.33Å
315T83.1Confident83.6Confident0 Ų075.4 Ų75.40%036%0.363CS..Hα-helixtrans-60.3-50.9176.8-550000109.9T311 L312 K317 R318 C319 I408 F412T311-T315 VanDerWaalsContact O-CB 3.29Å; T311-T315 WeakPolarHBondContact O-CB 3.26Å; T311-T315 PolarHBondContact O-N 3.16Å; T311-T315 PolarHBondContact O-OG1 3.01Å; L312-T315 WeakPolarHBondContact O-CB 3.39Å; L312-T315 PolarHBondContact O-N 2.98Å; T315-K317 VanDerWaalsContact C-N 3.29Å; T315-K317 PolarHBondContact O-N 2.92Å; T315-R318 PolarHBondContact O-N 2.9Å; T315-C319 PolarHBondContact O-N 3.47Å; T315-C319 PolarHBondContact O-SG 3.23Å; T315-I408 HydrophobicContact CG2-CG2 4.17Å; T315-F412 HydrophobicContact CG2-CB 3.99Å; T315-F412 WeakPolarHBondContact OG1-CA 3.48Å
316L85.3Confident83.8Confident83 Ų8374.5 Ų74.544%0.43536%0.359SS..Hα-helixtrans-57.8-41.4177-72173.6000111.9L312 G313 R318 Y320L312-L316 HydrophobicContact CG-CD1 4.27Å; L312-L316 WeakPolarHBondContact O-CB 3.31Å; L312-L316 VanDerWaalsContact O-CG 3.32Å; L312-L316 WeakPolarHBondContact O-CG 3.3Å; L312-L316 PolarHBondContact O-N 3.26Å; G313-L316 PolarHBondContact O-N 2.87Å; L316-R318 VanDerWaalsContact C-N 3.32Å; L316-R318 PolarHBondContact O-N 3.26Å; L316-Y320 VanDerWaalsContact O-CA 3.29Å; L316-Y320 WeakPolarHBondContact O-CA 3.32Å; L316-Y320 WeakPolarHBondContact O-CB 3.49Å; L316-Y320 PolarHBondContact O-N 3.44Å
317K84.1Confident84.1Confident162 Ų16273.3 Ų73.370%0.70436%0.358SS*.Hα-helixtrans-63.9-37.1174.9-175.2-177.6176.9-173.70111.9G313 L314 T315 Y320G313-K317 WeakPolarHBondContact O-CB 3.29Å; G313-K317 PolarHBondContact O-N 2.63Å; L314-K317 PolarHBondContact O-N 2.81Å; T315-K317 VanDerWaalsContact C-N 3.29Å; T315-K317 PolarHBondContact O-N 2.92Å; K317-Y320 VanDerWaalsContact O-CD1 3.29Å; K317-Y320 WeakPolarHBondContact O-CD1 3.13Å
318R82.1Confident84.8Confident119 Ų11973 Ų7345%0.44936%0.36SS..Hα-helixtrans-75.3-40.7-179.3-168.3174.5-172.8151.96.4112L314 T315 L316 E418L314-R318 WeakPolarHBondContact O-CB 3.27Å; L314-R318 PolarHBondContact O-N 3.34Å; T315-R318 PolarHBondContact O-N 2.9Å; L316-R318 VanDerWaalsContact C-N 3.32Å; L316-R318 PolarHBondContact O-N 3.26Å; R318-E418 IonicContact NH1-OE2 3.57Å
319C84.4Confident85.3Confident1 Ų177.1 Ų77.11%0.00737%0.374CS..SBendtrans-94.713.4-179.967.30000113.9T315 R321 E322 M323 F407T315-C319 PolarHBondContact O-N 3.47Å; T315-C319 PolarHBondContact O-SG 3.23Å; C319-R321 VanDerWaalsContact C-N 3.26Å; C319-R321 PolarHBondContact O-N 3.31Å; C319-R321 VanDerWaalsContact O-N 3.15Å; C319-E322 PolarHBondContact O-N 3.46Å; C319-M323 WeakPolarHBondContact O-CG 3.28Å; C319-M323 PolarHBondContact O-N 2.96Å; C319-F407 HydrophobicContact CB-CD1 4.21Å; C319-F407 HydrophobicContact CB-CE1 3.67Å
320Y86.5Confident85.8Confident138 Ų13875.6 Ų75.654%0.54137%0.366SS..Hα-helixtrans-57-37.8-172.188.1-88.3000113.1L316 K317 M323 V324L316-Y320 VanDerWaalsContact O-CA 3.29Å; L316-Y320 WeakPolarHBondContact O-CA 3.32Å; L316-Y320 WeakPolarHBondContact O-CB 3.49Å; L316-Y320 PolarHBondContact O-N 3.44Å; K317-Y320 VanDerWaalsContact O-CD1 3.29Å; K317-Y320 WeakPolarHBondContact O-CD1 3.13Å; Y320-M323 PolarHBondContact O-N 3.48Å; Y320-V324 WeakPolarHBondContact O-CB 3.44Å; Y320-V324 VanDerWaalsContact O-CG2 3.28Å; Y320-V324 WeakPolarHBondContact O-CG2 3.29Å; Y320-V324 PolarHBondContact O-N 3.44Å
321R86.2Confident86.3Confident179 Ų17975.5 Ų75.568%0.67537%0.371SS*.Hα-helixtrans-64.3-43.9178.7-61.7-17276.8-171.22.5111.2C319 M323 V324 M325C319-R321 VanDerWaalsContact C-N 3.26Å; C319-R321 PolarHBondContact O-N 3.31Å; C319-R321 VanDerWaalsContact O-N 3.15Å; R321-M323 VanDerWaalsContact C-N 3.35Å; R321-V324 PolarHBondContact O-N 3.38Å; R321-M325 WeakPolarHBondContact O-CB 3.33Å; R321-M325 PolarHBondContact O-N 2.99Å
322E85.7Confident87.1Confident89 Ų8979.2 Ų79.242%0.41639%0.394SS..Hα-helixtrans-67.7-36.9177.2-53.1-54.1148.900111.3C319 M325 L326 F407C319-E322 PolarHBondContact O-N 3.46Å; E322-M325 PolarHBondContact O-N 3.37Å; E322-L326 WeakPolarHBondContact O-CB 3.45Å; E322-L326 PolarHBondContact O-N 2.85Å; E322-F407 HydrophobicContact CB-CD1 4.07Å; E322-F407 HydrophobicContact CB-CE1 3.9Å; E322-F407 HydrophobicContact CG-CD1 4.07Å; E322-F407 HydrophobicContact CG-CE1 3.49Å; E322-F407 VanDerWaalsContact CG-CE1 3.49Å; E322-F407 HydrophobicContact CG-CZ 3.84Å
323M86.3Confident87.5Confident37 Ų3776.2 Ų76.218%0.18238%0.38CS..Hα-helixtrans-65.5-42.6174.2-69-63.482.400113.1C319 Y320 R321 M325 L326 L327 P404 I408C319-M323 WeakPolarHBondContact O-CG 3.28Å; C319-M323 PolarHBondContact O-N 2.96Å; Y320-M323 PolarHBondContact O-N 3.48Å; R321-M323 VanDerWaalsContact C-N 3.35Å; M323-M325 VanDerWaalsContact C-N 3.34Å; M323-L326 HydrophobicContact CE-CB 4.32Å; M323-L326 HydrophobicContact CE-CD2 3.93Å; M323-L326 PolarHBondContact O-N 3.01Å; M323-L327 WeakPolarHBondContact O-CB 3.42Å; M323-L327 PolarHBondContact O-N 3.33Å; M323-P404 HydrophobicContact CE-CB 3.9Å; M323-I408 HydrophobicContact CE-CD1 3.41Å; M323-I408 VanDerWaalsContact CE-CD1 3.41Å; M323-I408 HydrophobicContact CE-CG1 3.39Å; M323-I408 HydrophobicContact SD-CD1 3.23Å; M323-I408 WeakPolarHBondContact SD-CD1 3.48Å; M323-I408 HydrophobicContact SD-CG1 3.53Å; M323-I408 VanDerWaalsContact SD-CG1 3.53Å
324V90.3Very high88Confident85 Ų8575.6 Ų75.652%0.51537%0.366SS..Hα-helixtrans-64.5-42.1174.4170.80000110.3Y320 R321 L327 V328Y320-V324 WeakPolarHBondContact O-CB 3.44Å; Y320-V324 VanDerWaalsContact O-CG2 3.28Å; Y320-V324 WeakPolarHBondContact O-CG2 3.29Å; Y320-V324 PolarHBondContact O-N 3.44Å; R321-V324 PolarHBondContact O-N 3.38Å; V324-L327 PolarHBondContact O-N 2.96Å; V324-V328 WeakPolarHBondContact O-CG2 3.49Å; V324-V328 PolarHBondContact O-N 3.28Å
325M86.6Confident88.8Confident102 Ų10274.9 Ų74.950%0.50237%0.37SS..Hα-helixtrans-62.5-43.8176.6-174172-179.200112.4R321 E322 M323 L327 V328 F329R321-M325 WeakPolarHBondContact O-CB 3.33Å; R321-M325 PolarHBondContact O-N 2.99Å; E322-M325 PolarHBondContact O-N 3.37Å; M323-M325 VanDerWaalsContact C-N 3.34Å; M325-L327 PolarHBondContact O-N 3.47Å; M325-V328 PolarHBondContact O-N 3Å; M325-F329 HydrophobicContact CE-CE2 3.56Å; M325-F329 HydrophobicContact CE-CZ 3.46Å; M325-F329 VanDerWaalsContact CE-CZ 3.46Å; M325-F329 HydrophobicContact CG-CD2 4.23Å; M325-F329 HydrophobicContact CG-CE2 3.7Å; M325-F329 HydrophobicContact CG-CZ 4.17Å; M325-F329 WeakPolarHBondContact O-CD2 3.4Å; M325-F329 PolarHBondContact O-N 2.78Å; M325-F329 HydrophobicContact SD-CE2 4.34Å
326L87.8Confident89.5Confident24 Ų2479.2 Ų79.213%0.12639%0.392CS..Hα-helixtrans-57.2-49.3172.4168.868.8000111.2E322 M323 V328 F329 I330 L400 P404E322-L326 WeakPolarHBondContact O-CB 3.45Å; E322-L326 PolarHBondContact O-N 2.85Å; M323-L326 HydrophobicContact CE-CB 4.32Å; M323-L326 HydrophobicContact CE-CD2 3.93Å; M323-L326 PolarHBondContact O-N 3.01Å; L326-V328 PolarHBondContact O-N 3.48Å; L326-F329 PolarHBondContact O-N 3.03Å; L326-F329 VanDerWaalsContact O-N 3.08Å; L326-I330 HydrophobicContact CD1-CD1 3.79Å; L326-I330 HydrophobicContact CD1-CG1 3.96Å; L326-I330 HydrophobicContact CD2-CD1 4.28Å; L326-I330 HydrophobicContact CG-CD1 3.83Å; L326-I330 HydrophobicContact CG-CG1 4.33Å; L326-I330 WeakPolarHBondContact O-CG1 3.44Å; L326-I330 PolarHBondContact O-N 2.99Å; L326-L400 WeakPolarHBondContact CD1-O 3.44Å; L326-P404 HydrophobicContact CB-CB 4.02Å; L326-P404 HydrophobicContact CB-CG 3.99Å; L326-P404 HydrophobicContact CD1-CB 3.9Å; L326-P404 HydrophobicContact CD1-CG 3.41Å; L326-P404 VanDerWaalsContact CD1-CG 3.41Å; L326-P404 HydrophobicContact CD2-CB 3.69Å; L326-P404 HydrophobicContact CD2-CG 4.2Å; L326-P404 HydrophobicContact CG-CB 4.03Å; L326-P404 HydrophobicContact CG-CG 4.01Å
327L89.8Confident90Very high106 Ų10676.3 Ų76.356%0.55538%0.376SS*.Hα-helixtrans-58.5-41.4-178.9-177.866000110.8M323 V324 M325 I330 C331M323-L327 WeakPolarHBondContact O-CB 3.42Å; M323-L327 PolarHBondContact O-N 3.33Å; V324-L327 PolarHBondContact O-N 2.96Å; M325-L327 PolarHBondContact O-N 3.47Å; L327-I330 PolarHBondContact O-N 3.34Å; L327-C331 WeakPolarHBondContact O-CB 3.48Å; L327-C331 PolarHBondContact O-N 2.95Å; L327-C331 PolarHBondContact O-SG 3.04Å
328V91.8Very high90.6Very high79 Ų7968.6 Ų68.648%0.47934%0.343SS..Hα-helixtrans-60.5-45.7174.6171.70000111.2V324 M325 L326 C331 V332V324-V328 WeakPolarHBondContact O-CG2 3.49Å; V324-V328 PolarHBondContact O-N 3.28Å; M325-V328 PolarHBondContact O-N 3Å; L326-V328 PolarHBondContact O-N 3.48Å; V328-C331 PolarHBondContact O-N 3.33Å; V328-V332 HydrophobicContact CG1-CG2 4.44Å; V328-V332 WeakPolarHBondContact O-CG2 3.28Å; V328-V332 PolarHBondContact O-N 3.15Å
329F90.7Very high91.2Very high102 Ų10265 Ų6545%0.44734%0.338SS..Hα-helixtrans-63.7-41.4177.4-69.9-41.7000113.1M325 L326 V332 A333 L400M325-F329 HydrophobicContact CE-CE2 3.56Å; M325-F329 HydrophobicContact CE-CZ 3.46Å; M325-F329 VanDerWaalsContact CE-CZ 3.46Å; M325-F329 HydrophobicContact CG-CD2 4.23Å; M325-F329 HydrophobicContact CG-CE2 3.7Å; M325-F329 HydrophobicContact CG-CZ 4.17Å; M325-F329 WeakPolarHBondContact O-CD2 3.4Å; M325-F329 PolarHBondContact O-N 2.78Å; M325-F329 HydrophobicContact SD-CE2 4.34Å; L326-F329 PolarHBondContact O-N 3.03Å; L326-F329 VanDerWaalsContact O-N 3.08Å; F329-V332 PolarHBondContact O-N 2.95Å; F329-A333 WeakPolarHBondContact O-CB 3.45Å; F329-A333 PolarHBondContact O-N 2.84Å; F329-L400 HydrophobicContact CB-CD2 4.41Å
330I91.5Very high91.8Very high34 Ų3468.4 Ų68.417%0.17436%0.356CS..Hα-helixtrans-61.6-46.8174.3-65.4172.4000109.8L326 L327 V332 A333 M334 L401L326-I330 HydrophobicContact CD1-CD1 3.79Å; L326-I330 HydrophobicContact CD1-CG1 3.96Å; L326-I330 HydrophobicContact CD2-CD1 4.28Å; L326-I330 HydrophobicContact CG-CD1 3.83Å; L326-I330 HydrophobicContact CG-CG1 4.33Å; L326-I330 WeakPolarHBondContact O-CG1 3.44Å; L326-I330 PolarHBondContact O-N 2.99Å; L327-I330 PolarHBondContact O-N 3.34Å; I330-V332 PolarHBondContact O-N 2.85Å; I330-A333 PolarHBondContact O-N 2.91Å; I330-M334 HydrophobicContact CG2-CE 4.06Å; I330-M334 HydrophobicContact CG2-CG 4.12Å; I330-M334 HydrophobicContact CG2-SD 4.07Å; I330-M334 WeakPolarHBondContact O-CB 3.44Å; I330-M334 VanDerWaalsContact O-CG 3.23Å; I330-M334 WeakPolarHBondContact O-CG 3.47Å; I330-M334 PolarHBondContact O-N 3.17Å; I330-L401 HydrophobicContact CD1-CD2 3.66Å; I330-L401 HydrophobicContact CG1-CD2 4.4Å
331C93.6Very high92.1Very high63 Ų6361.9 Ų61.943%0.42633%0.33SS..Hα-helixtrans-60.5-42.6178.5-72.50000112.9L327 V328 M334 A335L327-C331 WeakPolarHBondContact O-CB 3.48Å; L327-C331 PolarHBondContact O-N 2.95Å; L327-C331 PolarHBondContact O-SG 3.04Å; V328-C331 PolarHBondContact O-N 3.33Å; C331-M334 PolarHBondContact O-N 2.89Å; C331-A335 WeakPolarHBondContact O-CB 3.25Å; C331-A335 PolarHBondContact O-N 2.89Å
332V94.8Very high92.5Very high77 Ų7755.4 Ų55.447%0.46731%0.308SS..Hα-helixtrans-64.9-47.5176.71710000110.9V328 F329 I330 M334 A335 I336V328-V332 HydrophobicContact CG1-CG2 4.44Å; V328-V332 WeakPolarHBondContact O-CG2 3.28Å; V328-V332 PolarHBondContact O-N 3.15Å; F329-V332 PolarHBondContact O-N 2.95Å; I330-V332 PolarHBondContact O-N 2.85Å; V332-M334 VanDerWaalsContact C-N 3.34Å; V332-M334 PolarHBondContact O-N 3.14Å; V332-A335 PolarHBondContact O-N 3.09Å; V332-I336 HydrophobicContact CG1-CD1 3.82Å; V332-I336 WeakPolarHBondContact O-CG1 3.33Å; V332-I336 PolarHBondContact O-N 3.02Å
333A93.9Very high92.8Very high11 Ų1155.3 Ų55.39%0.09131%0.31CS..Hα-helixtrans-60.7-44.8177.200000111.4F329 I330 A335 I336 F337 M371 L400F329-A333 WeakPolarHBondContact O-CB 3.45Å; F329-A333 PolarHBondContact O-N 2.84Å; I330-A333 PolarHBondContact O-N 2.91Å; A333-A335 PolarHBondContact O-N 3.12Å; A333-I336 PolarHBondContact O-N 3.11Å; A333-F337 HydrophobicContact CB-CD2 4.33Å; A333-F337 HydrophobicContact CB-CE2 4.42Å; A333-F337 WeakPolarHBondContact O-CD2 3.38Å; A333-F337 PolarHBondContact O-N 2.86Å; A333-M371 HydrophobicContact CB-CE 3.73Å; A333-M371 HydrophobicContact CB-SD 4.29Å; A333-L400 HydrophobicContact CB-CD1 3.65Å
334M94.9Very high93Very high29 Ų2955.1 Ų55.114%0.14331%0.309CS..Hα-helixtrans-57.5-48175.3-75.2-167.3-51.200111.3I330 C331 V332 I336 S338 V367 I368 M371I330-M334 HydrophobicContact CG2-CE 4.06Å; I330-M334 HydrophobicContact CG2-CG 4.12Å; I330-M334 HydrophobicContact CG2-SD 4.07Å; I330-M334 WeakPolarHBondContact O-CB 3.44Å; I330-M334 VanDerWaalsContact O-CG 3.23Å; I330-M334 WeakPolarHBondContact O-CG 3.47Å; I330-M334 PolarHBondContact O-N 3.17Å; C331-M334 PolarHBondContact O-N 2.89Å; V332-M334 VanDerWaalsContact C-N 3.34Å; V332-M334 PolarHBondContact O-N 3.14Å; M334-I336 PolarHBondContact O-N 3.04Å; M334-S338 WeakPolarHBondContact O-CB 3.49Å; M334-S338 PolarHBondContact O-N 3.42Å; M334-S338 PolarHBondContact O-OG 3.05Å; M334-V367 HydrophobicContact CB-CG1 4.41Å; M334-V367 HydrophobicContact CG-CG1 4.14Å; M334-I368 HydrophobicContact SD-CB 3.83Å; M334-I368 HydrophobicContact SD-CD1 4.08Å; M334-I368 HydrophobicContact SD-CG1 3.94Å; M334-M371 HydrophobicContact CG-SD 4.15Å
335A96.2Very high93Very high53 Ų5351.1 Ų51.144%0.43829%0.285SS..Hα-helixtrans-59.7-43.9178.800000112.4C331 V332 A333 A339C331-A335 WeakPolarHBondContact O-CB 3.25Å; C331-A335 PolarHBondContact O-N 2.89Å; V332-A335 PolarHBondContact O-N 3.09Å; A333-A335 PolarHBondContact O-N 3.12Å; A335-A339 WeakPolarHBondContact O-CB 3.45Å; A335-A339 PolarHBondContact O-N 3.08Å
336I96.6Very high92.8Very high91 Ų9149.8 Ų49.847%0.46728%0.277SS..Hα-helixtrans-66.4-54.2179.9-66.2167.8000111V332 A333 M334 S338 A339 L340V332-I336 HydrophobicContact CG1-CD1 3.82Å; V332-I336 WeakPolarHBondContact O-CG1 3.33Å; V332-I336 PolarHBondContact O-N 3.02Å; A333-I336 PolarHBondContact O-N 3.11Å; M334-I336 PolarHBondContact O-N 3.04Å; I336-S338 VanDerWaalsContact C-N 3.26Å; I336-S338 PolarHBondContact O-N 3.09Å; I336-A339 PolarHBondContact O-N 3.5Å; I336-L340 HydrophobicContact CG2-CD1 3.84Å; I336-L340 HydrophobicContact CG2-CG 4.47Å; I336-L340 WeakPolarHBondContact O-CB 3.31Å; I336-L340 WeakPolarHBondContact O-CG 3.42Å; I336-L340 PolarHBondContact O-N 3.3Å
337F96.7Very high92.1Very high22 Ų2251 Ų5110%0.09630%0.296CS..Hα-helixtrans-64.9-31.5-178.4-75.7-64.1000112.2A333 S341 V367 M371 L389 V392 C393A333-F337 HydrophobicContact CB-CD2 4.33Å; A333-F337 HydrophobicContact CB-CE2 4.42Å; A333-F337 WeakPolarHBondContact O-CD2 3.38Å; A333-F337 PolarHBondContact O-N 2.86Å; F337-S341 VanDerWaalsContact O-CB 3.25Å; F337-S341 WeakPolarHBondContact O-CB 3.24Å; F337-S341 PolarHBondContact O-N 3.22Å; F337-S341 PolarHBondContact O-OG 3.48Å; F337-V367 HydrophobicContact CB-CG1 3.8Å; F337-V367 HydrophobicContact CB-CG2 3.84Å; F337-M371 HydrophobicContact CD2-SD 4.29Å; F337-L389 HydrophobicContact CD1-CD1 3.93Å; F337-L389 HydrophobicContact CD1-CG 4.3Å; F337-L389 HydrophobicContact CE1-CD1 4.07Å; F337-V392 HydrophobicContact CE1-CG1 4.19Å; F337-V392 HydrophobicContact CZ-CG1 4.33Å; F337-C393 HydrophobicContact CD1-CB 3.81Å; F337-C393 HydrophobicContact CE1-CB 3.95Å; F337-C393 HydrophobicContact CG-CB 4.16Å; F337-C393 HydrophobicContact CZ-CB 4.4Å
338S96.1Very high91.3Very high0 Ų049.9 Ų49.90%029%0.29CS..Hα-helixtrans-70.4-45176.8-56.70000111.7M334 I336 S341 Q342 A363 C364M334-S338 WeakPolarHBondContact O-CB 3.49Å; M334-S338 PolarHBondContact O-N 3.42Å; M334-S338 PolarHBondContact O-OG 3.05Å; I336-S338 VanDerWaalsContact C-N 3.26Å; I336-S338 PolarHBondContact O-N 3.09Å; S338-S341 WeakPolarHBondContact CA-OG 3.46Å; S338-S341 PolarHBondContact O-OG 3.41Å; S338-S341 VanDerWaalsContact O-OG 3.09Å; S338-Q342 WeakPolarHBondContact O-CB 3.19Å; S338-Q342 PolarHBondContact O-N 2.85Å; S338-A363 WeakPolarHBondContact O-CB 3.42Å; S338-C364 WeakPolarHBondContact OG-CA 3.28Å; S338-C364 PolarHBondContact OG-N 2.84Å; S338-C364 PolarHBondContact OG-SG 3.46Å
339A95.9Very high90.1Very high42 Ų4254.9 Ų54.935%0.34731%0.314SS..Hα-helixtrans-63.5-43.1176.800000111.6A335 I336 L343 I360A335-A339 WeakPolarHBondContact O-CB 3.45Å; A335-A339 PolarHBondContact O-N 3.08Å; I336-A339 PolarHBondContact O-N 3.5Å; A339-L343 WeakPolarHBondContact O-CB 3.44Å; A339-L343 PolarHBondContact O-N 3.35Å; A339-I360 HydrophobicContact CB-CD1 4.43Å
340L95.4Very high88.8Confident73 Ų7353.7 Ų53.738%0.38231%0.312SS..Hα-helixtrans-67.4-44178-70.5174.6000112.4I336 L343 L344 L389I336-L340 HydrophobicContact CG2-CD1 3.84Å; I336-L340 HydrophobicContact CG2-CG 4.47Å; I336-L340 WeakPolarHBondContact O-CB 3.31Å; I336-L340 WeakPolarHBondContact O-CG 3.42Å; I336-L340 PolarHBondContact O-N 3.3Å; L340-L343 PolarHBondContact O-N 2.91Å; L340-L344 WeakPolarHBondContact O-CB 3.34Å; L340-L344 VanDerWaalsContact O-CG 3.26Å; L340-L344 WeakPolarHBondContact O-CG 3.44Å; L340-L344 PolarHBondContact O-N 3.46Å; L340-L389 HydrophobicContact CB-CD1 4.31Å; L340-L389 HydrophobicContact CB-CD2 3.56Å; L340-L389 HydrophobicContact CD1-CD1 4.07Å
341S93.8Very high87.4Confident1 Ų162 Ų621%0.00735%0.35CS..Hα-helixtrans-65.7-41.7178.553.10000111.7F337 S338 L343 L344 E345F337-S341 VanDerWaalsContact O-CB 3.25Å; F337-S341 WeakPolarHBondContact O-CB 3.24Å; F337-S341 PolarHBondContact O-N 3.22Å; F337-S341 PolarHBondContact O-OG 3.48Å; S338-S341 WeakPolarHBondContact CA-OG 3.46Å; S338-S341 PolarHBondContact O-OG 3.41Å; S338-S341 VanDerWaalsContact O-OG 3.09Å; S341-L343 VanDerWaalsContact C-N 3.33Å; S341-L343 PolarHBondContact O-N 2.89Å; S341-L344 PolarHBondContact O-N 2.67Å; S341-E345 WeakPolarHBondContact O-CB 3.25Å; S341-E345 VanDerWaalsContact O-CG 3.3Å; S341-E345 WeakPolarHBondContact O-CG 3.39Å; S341-E345 PolarHBondContact O-N 3.35Å
342Q93.8Very high86.2Confident43 Ų4362.7 Ų62.720%0.20135%0.353CS..Hα-helixtrans-61.6-42.7174-164-160.9-9.800111.8S338 H346 G347 F357 T358 S359 A363S338-Q342 WeakPolarHBondContact O-CB 3.19Å; S338-Q342 PolarHBondContact O-N 2.85Å; Q342-H346 WeakPolarHBondContact O-CA 3.3Å; Q342-H346 WeakPolarHBondContact O-CB 3.38Å; Q342-H346 PolarHBondContact O-N 3.4Å; Q342-G347 PolarHBondContact O-N 3.19Å; Q342-F357 WeakPolarHBondContact CG-O 3.5Å; Q342-T358 PolarHBondContact NE2-O 3.3Å; Q342-S359 VanDerWaalsContact CD-C 3.44Å; Q342-S359 VanDerWaalsContact NE2-CA 3.28Å; Q342-A363 HydrophobicContact CB-CB 4.28Å
343L92.1Very high85.3Confident87 Ų8762.3 Ų62.346%0.45535%0.353SS..Iπ-helixtrans-62.3-44.9177.7-179.662.7000111.6A339 L340 S341 G347 L348A339-L343 WeakPolarHBondContact O-CB 3.44Å; A339-L343 PolarHBondContact O-N 3.35Å; L340-L343 PolarHBondContact O-N 2.91Å; S341-L343 VanDerWaalsContact C-N 3.33Å; S341-L343 PolarHBondContact O-N 2.89Å; L343-G347 CarbonylContact O-C 3.44Å; L343-G347 WeakPolarHBondContact O-CA 3.45Å; L343-G347 PolarHBondContact O-N 3.25Å; L343-L348 HydrophobicContact CD1-CG 4.44Å; L343-L348 HydrophobicContact CG-CG 4.47Å; L343-L348 PolarHBondContact O-N 2.76Å
344L91.8Very high84.8Confident34 Ų3462.2 Ų62.218%0.17835%0.351CS..Iπ-helixtrans-74.3-31.2-177.1-67.6176.7000113.8L340 S341 L348 P385 L389L340-L344 WeakPolarHBondContact O-CB 3.34Å; L340-L344 VanDerWaalsContact O-CG 3.26Å; L340-L344 WeakPolarHBondContact O-CG 3.44Å; L340-L344 PolarHBondContact O-N 3.46Å; S341-L344 PolarHBondContact O-N 2.67Å; L344-L348 HydrophobicContact CD2-CD1 3.8Å; L344-P385 HydrophobicContact CD1-CB 4.19Å; L344-P385 HydrophobicContact CD2-CB 4.05Å; L344-P385 HydrophobicContact CD2-CG 4.3Å; L344-L389 HydrophobicContact CD1-CB 4.04Å; L344-L389 HydrophobicContact CD1-CD2 3.81Å; L344-L389 HydrophobicContact CD1-CG 4.46Å
345E89.6Confident84.3Confident1 Ų168.9 Ų68.91%0.00538%0.379CS..Iπ-helixtrans-95.3-23.6-175.2-69-69.213500113.6S341 N354 F357 P381 I382 T383 G386S341-E345 WeakPolarHBondContact O-CB 3.25Å; S341-E345 VanDerWaalsContact O-CG 3.3Å; S341-E345 WeakPolarHBondContact O-CG 3.39Å; S341-E345 PolarHBondContact O-N 3.35Å; E345-N354 HydrophobicContact CB-CB 3.98Å; E345-N354 WeakPolarHBondContact O-CB 3.42Å; E345-N354 PolarHBondContact O-N 3.18Å; E345-N354 WeakPolarHBondContact OE2-CB 3.47Å; E345-N354 PolarHBondContact OE2-ND2 3.01Å; E345-F357 HydrophobicContact CB-CB 3.96Å; E345-F357 HydrophobicContact CB-CD1 4.37Å; E345-F357 HydrophobicContact CB-CD2 3.94Å; E345-F357 HydrophobicContact CB-CG 3.83Å; E345-F357 HydrophobicContact CG-CD1 4.43Å; E345-F357 HydrophobicContact CG-CD2 4.09Å; E345-F357 HydrophobicContact CG-CE2 4.23Å; E345-F357 HydrophobicContact CG-CG 4.2Å; E345-F357 HydrophobicContact CG-CZ 4.47Å; E345-P381 VanDerWaalsContact CD-CA 3.4Å; E345-P381 HydrophobicContact CG-CB 4.08Å; E345-P381 WeakPolarHBondContact OE1-CA 3.39Å; E345-P381 WeakPolarHBondContact OE1-CB 3.45Å; E345-P381 WeakPolarHBondContact OE2-CA 3.35Å; E345-I382 PolarHBondContact OE1-N 2.8Å; E345-I382 WeakPolarHBondContact OE2-CG1 3.48Å; E345-I382 PolarHBondContact OE2-N 3.34Å; E345-T383 VanDerWaalsContact OE1-CB 3.31Å; E345-T383 WeakPolarHBondContact OE1-CB 3.49Å; E345-T383 PolarHBondContact OE1-N 3.37Å; E345-T383 PolarHBondContact OE1-OG1 3.08Å; E345-G386 WeakPolarHBondContact OE1-CA 3.23Å
346H83.1Confident83.8Confident74 Ų7470 Ų7034%0.34338%0.378SS..Iπ-helixtrans-136.6-32.8-174.4-16279000114.2Q342 S353 N354 F357Q342-H346 WeakPolarHBondContact O-CA 3.3Å; Q342-H346 WeakPolarHBondContact O-CB 3.38Å; Q342-H346 PolarHBondContact O-N 3.4Å; H346-S353 PolarHBondContact CE1-OG 3.29Å; H346-S353 PolarHBondContact ND1-OG 3.43Å; H346-N354 PolarHBondContact ND1-O 3.49Å; H346-F357 HydrophobicContact CB-CB 4.42Å; H346-F357 WeakPolarHBondContact CB-O 3.45Å
347G71.4Confident83.6Confident50 Ų5065.7 Ų65.752%0.51536%0.356SS..Iπ-helixtrans-87.5-19.8-170.500000116Q342 L343Q342-G347 PolarHBondContact O-N 3.19Å; L343-G347 CarbonylContact O-C 3.44Å; L343-G347 WeakPolarHBondContact O-CA 3.45Å; L343-G347 PolarHBondContact O-N 3.25Å
348L74.5Confident83.2Confident81 Ų8168.8 Ų68.842%0.42438%0.377SS..SBendtrans-89128.6168.3-67.7170.7000107.2L343 L344 L350L343-L348 HydrophobicContact CD1-CG 4.44Å; L343-L348 HydrophobicContact CG-CG 4.47Å; L343-L348 PolarHBondContact O-N 2.76Å; L344-L348 HydrophobicContact CD2-CD1 3.8Å; L348-L350 HydrophobicContact CB-CD1 3.78Å; L348-L350 HydrophobicContact CB-CG 4.03Å; L348-L350 HydrophobicContact CD1-CD1 4.39Å; L348-L350 PolarHBondContact O-N 3.38Å
349D64.9Low83Confident185 Ų18570.9 Ų70.999%0.98939%0.391SS*.  trans-67.653.4-178.7-131.65.6000111.5
350L64.1Low82.9Confident76 Ų7672.8 Ų72.840%0.39840%0.395SS..  trans-80142.3175.9-72157.9000107.6L348 T352 T383L348-L350 HydrophobicContact CB-CD1 3.78Å; L348-L350 HydrophobicContact CB-CG 4.03Å; L348-L350 HydrophobicContact CD1-CD1 4.39Å; L348-L350 PolarHBondContact O-N 3.38Å; L350-T352 PolarHBondContact O-N 2.9Å; L350-T383 HydrophobicContact CD1-CG2 4.43Å
351E61.9Low82.9Confident208 Ų20874.1 Ų74.197%0.97241%0.408SS*.SBendtrans-55.6-14.5177.1-65.6-174.7151.400113.6
352T68Low82.9Confident79 Ų7975.2 Ų75.249%0.48542%0.417SS..  trans-111.384.1178.342.40000110.9L350L350-T352 PolarHBondContact O-N 2.9Å
353S76.6Confident82.9Confident68 Ų6873.2 Ų73.248%0.47641%0.408SS..  trans-85.5119.1174.2-177.50000111H346H346-S353 PolarHBondContact CE1-OG 3.29Å; H346-S353 PolarHBondContact ND1-OG 3.43Å
354N82.9Confident83.1Confident10 Ų1070.8 Ų70.85%0.05340%0.398CS..  trans-83.3119.4175-165.1-23.8000110E345 H346 D356 F357 Y380 I382E345-N354 HydrophobicContact CB-CB 3.98Å; E345-N354 WeakPolarHBondContact O-CB 3.42Å; E345-N354 PolarHBondContact O-N 3.18Å; E345-N354 WeakPolarHBondContact OE2-CB 3.47Å; E345-N354 PolarHBondContact OE2-ND2 3.01Å; H346-N354 PolarHBondContact ND1-O 3.49Å; N354-D356 VanDerWaalsContact C-N 3.3Å; N354-D356 PolarHBondContact O-N 3.45Å; N354-D356 WeakPolarHBondContact OD1-CB 3.48Å; N354-D356 PolarHBondContact OD1-N 2.97Å; N354-F357 HydrophobicContact CB-CD2 4.17Å; N354-F357 WeakPolarHBondContact ND2-CD2 3.42Å; N354-F357 WeakPolarHBondContact ND2-CE2 3.33Å; N354-Y380 PolarHBondContact ND2-O 3.42Å; N354-I382 HydrophobicContact CB-CD1 3.94Å; N354-I382 HydrophobicContact CB-CG1 4.01Å
355K84.5Confident83.3Confident168 Ų16874.7 Ų74.773%0.7341%0.41SS*.SBendtrans-77.5-16-178.9-67.8-176.3-177.8175.90113.1F357 T358K355-F357 VanDerWaalsContact C-N 3.29Å; K355-F357 PolarHBondContact O-N 2.97Å; K355-T358 WeakPolarHBondContact O-CG2 3.13Å
356D87.1Confident83.6Confident78 Ų7875.3 Ų75.342%0.41741%0.412SS..SBendtrans-74.8-26.7-178.8-58.7-26.7000111N354 T358 M379N354-D356 VanDerWaalsContact C-N 3.3Å; N354-D356 PolarHBondContact O-N 3.45Å; N354-D356 WeakPolarHBondContact OD1-CB 3.48Å; N354-D356 PolarHBondContact OD1-N 2.97Å; D356-T358 VanDerWaalsContact C-N 3.31Å; D356-T358 PolarHBondContact O-N 2.98Å; D356-M379 HydrophobicContact CB-CE 4Å; D356-M379 HydrophobicContact CB-CG 4.12Å; D356-M379 WeakPolarHBondContact O-CE 3.2Å
357F90.5Very high84.2Confident0 Ų071.8 Ų71.80%040%0.396CS..  trans-91.650.2178.5-68.3-99.2000112.3Q342 E345 H346 N354 K355 S359 A363 W366Q342-F357 WeakPolarHBondContact CG-O 3.5Å; E345-F357 HydrophobicContact CB-CB 3.96Å; E345-F357 HydrophobicContact CB-CD1 4.37Å; E345-F357 HydrophobicContact CB-CD2 3.94Å; E345-F357 HydrophobicContact CB-CG 3.83Å; E345-F357 HydrophobicContact CG-CD1 4.43Å; E345-F357 HydrophobicContact CG-CD2 4.09Å; E345-F357 HydrophobicContact CG-CE2 4.23Å; E345-F357 HydrophobicContact CG-CG 4.2Å; E345-F357 HydrophobicContact CG-CZ 4.47Å; H346-F357 HydrophobicContact CB-CB 4.42Å; H346-F357 WeakPolarHBondContact CB-O 3.45Å; N354-F357 HydrophobicContact CB-CD2 4.17Å; N354-F357 WeakPolarHBondContact ND2-CD2 3.42Å; N354-F357 WeakPolarHBondContact ND2-CE2 3.33Å; K355-F357 VanDerWaalsContact C-N 3.29Å; K355-F357 PolarHBondContact O-N 2.97Å; F357-S359 VanDerWaalsContact C-N 3.34Å; F357-S359 PolarHBondContact O-N 3Å; F357-A363 HydrophobicContact CD1-CB 3.72Å; F357-A363 HydrophobicContact CE1-CB 4.18Å; F357-W366 HydrophobicContact CE1-CB 4.26Å; F357-W366 HydrophobicContact CE1-CD2 4.04Å; F357-W366 AromaticContact CE1-CE3 3.8Å; F357-W366 HydrophobicContact CE1-CE3 3.8Å; F357-W366 HydrophobicContact CE1-CG 4.23Å; F357-W366 HydrophobicContact CZ-CB 4.2Å; F357-W366 AromaticContact CZ-CD2 3.82Å; F357-W366 HydrophobicContact CZ-CD2 3.82Å; F357-W366 HydrophobicContact CZ-CE3 4.02Å; F357-W366 AromaticContact CZ-CG 3.88Å; F357-W366 HydrophobicContact CZ-CG 3.88Å
358T89.8Confident85.4Confident87 Ų8772.7 Ų72.753%0.53439%0.388SS..  trans-63.8-33.2-177.655.50000114.5Q342 K355 D356Q342-T358 PolarHBondContact NE2-O 3.3Å; K355-T358 WeakPolarHBondContact O-CG2 3.13Å; D356-T358 VanDerWaalsContact C-N 3.31Å; D356-T358 PolarHBondContact O-N 2.98Å
359S92.1Very high86.3Confident44 Ų4469.2 Ų69.231%0.30837%0.37SS..SBendtrans-151.9158.3-171.264.10000111.3Q342 F357 P361 A362 A363Q342-S359 VanDerWaalsContact CD-C 3.44Å; Q342-S359 VanDerWaalsContact NE2-CA 3.28Å; F357-S359 VanDerWaalsContact C-N 3.34Å; F357-S359 PolarHBondContact O-N 3Å; S359-P361 VanDerWaalsContact C-N 3.33Å; S359-A362 WeakPolarHBondContact O-CB 3.32Å; S359-A362 PolarHBondContact O-N 3.28Å; S359-A362 WeakPolarHBondContact OG-CB 3.33Å; S359-A362 PolarHBondContact OG-N 2.87Å; S359-A363 PolarHBondContact O-N 3.33Å
360I94Very high87.8Confident81 Ų8161 Ų6142%0.41533%0.328SS..Hα-helixtrans-55.4-44.9177.2-53.5178.1000110.7A339 A362 A363 C364A339-I360 HydrophobicContact CB-CD1 4.43Å; I360-A362 VanDerWaalsContact C-N 3.33Å; I360-A362 PolarHBondContact O-N 3.05Å; I360-A363 PolarHBondContact O-N 3.5Å; I360-C364 WeakPolarHBondContact O-CB 3.34Å; I360-C364 PolarHBondContact O-N 3.4Å
361P94.6Very high89.2Confident101 Ų10157.7 Ų57.766%0.65631%0.31SS*.Hα-helixtrans-62.5-35.2176.2-24.836.9000114S359 C364 W365S359-P361 VanDerWaalsContact C-N 3.33Å; P361-C364 WeakPolarHBondContact O-CB 3.24Å; P361-C364 PolarHBondContact O-N 3.33Å; P361-W365 PolarHBondContact O-N 3.4Å
362A92.8Very high90.7Very high25 Ų2550.5 Ų50.521%0.20728%0.28CS..Hα-helixtrans-66.9-43.8174.800000111.2S359 I360 C364 W365 M379S359-A362 WeakPolarHBondContact O-CB 3.32Å; S359-A362 PolarHBondContact O-N 3.28Å; S359-A362 WeakPolarHBondContact OG-CB 3.33Å; S359-A362 PolarHBondContact OG-N 2.87Å; I360-A362 VanDerWaalsContact C-N 3.33Å; I360-A362 PolarHBondContact O-N 3.05Å; A362-C364 PolarHBondContact O-N 3.26Å; A362-W365 WeakPolarHBondContact O-CB 3.13Å; A362-W365 PolarHBondContact O-N 3.35Å; A362-M379 WeakPolarHBondContact O-CE 3.32Å
363A95Very high92Very high0 Ų051.3 Ų51.30%029%0.285CS..Hα-helixtrans-61.5-32173.300000112.3S338 Q342 F357 S359 I360 W365 W366 V367S338-A363 WeakPolarHBondContact O-CB 3.42Å; Q342-A363 HydrophobicContact CB-CB 4.28Å; F357-A363 HydrophobicContact CD1-CB 3.72Å; F357-A363 HydrophobicContact CE1-CB 4.18Å; S359-A363 PolarHBondContact O-N 3.33Å; I360-A363 PolarHBondContact O-N 3.5Å; A363-W365 VanDerWaalsContact C-N 3.28Å; A363-W365 PolarHBondContact O-N 2.88Å; A363-W366 WeakPolarHBondContact O-CB 3.2Å; A363-W366 PolarHBondContact O-N 3.4Å; A363-W366 VanDerWaalsContact O-N 3.09Å; A363-V367 WeakPolarHBondContact O-CG2 3.41Å; A363-V367 PolarHBondContact O-N 3.37Å
364C95.9Very high92.9Very high36 Ų3651.8 Ų51.824%0.24329%0.285CS..Hα-helixtrans-59.7-35.2176.4-138.70000113S338 I360 P361 A362 V367 I368S338-C364 WeakPolarHBondContact OG-CA 3.28Å; S338-C364 PolarHBondContact OG-N 2.84Å; S338-C364 PolarHBondContact OG-SG 3.46Å; I360-C364 WeakPolarHBondContact O-CB 3.34Å; I360-C364 PolarHBondContact O-N 3.4Å; P361-C364 WeakPolarHBondContact O-CB 3.24Å; P361-C364 PolarHBondContact O-N 3.33Å; A362-C364 PolarHBondContact O-N 3.26Å; C364-V367 PolarHBondContact O-N 2.84Å; C364-I368 WeakPolarHBondContact O-CG2 3.45Å; C364-I368 PolarHBondContact O-N 3.02Å
365W95.9Very high93.4Very high117 Ų11753.5 Ų53.544%0.44331%0.306SS..Hα-helixtrans-61.7-45.6172.4173.1-110.1000111.7P361 A362 A363 V367 I368 I369 Y376 D378P361-W365 PolarHBondContact O-N 3.4Å; A362-W365 WeakPolarHBondContact O-CB 3.13Å; A362-W365 PolarHBondContact O-N 3.35Å; A363-W365 VanDerWaalsContact C-N 3.28Å; A363-W365 PolarHBondContact O-N 2.88Å; W365-V367 PolarHBondContact O-N 3.37Å; W365-I368 HydrophobicContact CE3-CG2 4.16Å; W365-I368 WeakPolarHBondContact O-CG2 3.2Å; W365-I369 HydrophobicContact CD2-CG2 4.29Å; W365-I369 HydrophobicContact CE3-CG2 4.37Å; W365-I369 HydrophobicContact CH2-CG2 4.11Å; W365-I369 HydrophobicContact CZ2-CG2 4.01Å; W365-I369 HydrophobicContact CZ3-CG2 4.28Å; W365-I369 WeakPolarHBondContact O-CG1 3.48Å; W365-I369 WeakPolarHBondContact O-CG2 3.23Å; W365-I369 PolarHBondContact O-N 3.43Å; W365-Y376 HydrophobicContact CH2-CD2 4.41Å; W365-Y376 HydrophobicContact CH2-CE2 4Å; W365-Y376 AromaticContact CZ2-CD2 3.87Å; W365-Y376 HydrophobicContact CZ2-CD2 3.87Å; W365-Y376 AromaticContact CZ2-CE2 3.92Å; W365-Y376 HydrophobicContact CZ2-CE2 3.92Å; W365-D378 PolarHBondContact NE1-OD2 3.29Å
366W95.8Very high93.9Very high13 Ų1353.1 Ų53.15%0.04930%0.301CS..Hα-helixtrans-65-39.8175.8174.372.7000112.5F357 A363 I369 S370 M379 P381F357-W366 HydrophobicContact CE1-CB 4.26Å; F357-W366 HydrophobicContact CE1-CD2 4.04Å; F357-W366 AromaticContact CE1-CE3 3.8Å; F357-W366 HydrophobicContact CE1-CE3 3.8Å; F357-W366 HydrophobicContact CE1-CG 4.23Å; F357-W366 HydrophobicContact CZ-CB 4.2Å; F357-W366 AromaticContact CZ-CD2 3.82Å; F357-W366 HydrophobicContact CZ-CD2 3.82Å; F357-W366 HydrophobicContact CZ-CE3 4.02Å; F357-W366 AromaticContact CZ-CG 3.88Å; F357-W366 HydrophobicContact CZ-CG 3.88Å; A363-W366 WeakPolarHBondContact O-CB 3.2Å; A363-W366 PolarHBondContact O-N 3.4Å; A363-W366 VanDerWaalsContact O-N 3.09Å; W366-I369 VanDerWaalsContact O-CG1 3.23Å; W366-I369 WeakPolarHBondContact O-CG1 3.11Å; W366-S370 PolarHBondContact NE1-OG 3.37Å; W366-S370 VanDerWaalsContact O-CB 3.22Å; W366-S370 WeakPolarHBondContact O-CB 3.43Å; W366-S370 PolarHBondContact O-N 3.16Å; W366-S370 PolarHBondContact O-OG 3.46Å; W366-M379 HydrophobicContact CB-CB 4.13Å; W366-M379 HydrophobicContact CB-CE 4.22Å; W366-M379 HydrophobicContact CG-CB 4.41Å; W366-M379 PolarHBondContact NE1-O 2.88Å; W366-P381 HydrophobicContact CH2-CG 4.05Å; W366-P381 HydrophobicContact CZ2-CG 3.68Å
367V96.6Very high94.2Very high0 Ų051.8 Ų51.80%031%0.305CS..Hα-helixtrans-66.3-44.6178.8175.10000111.5M334 F337 A363 C364 W365 I369 S370 M371M334-V367 HydrophobicContact CB-CG1 4.41Å; M334-V367 HydrophobicContact CG-CG1 4.14Å; F337-V367 HydrophobicContact CB-CG1 3.8Å; F337-V367 HydrophobicContact CB-CG2 3.84Å; A363-V367 WeakPolarHBondContact O-CG2 3.41Å; A363-V367 PolarHBondContact O-N 3.37Å; C364-V367 PolarHBondContact O-N 2.84Å; W365-V367 PolarHBondContact O-N 3.37Å; V367-I369 PolarHBondContact O-N 3.25Å; V367-S370 PolarHBondContact O-N 3.2Å; V367-M371 HydrophobicContact CG1-CG 3.9Å; V367-M371 HydrophobicContact CG1-SD 3.56Å; V367-M371 VanDerWaalsContact CG1-SD 3.56Å; V367-M371 WeakPolarHBondContact O-CB 3.38Å; V367-M371 WeakPolarHBondContact O-CG 3.32Å; V367-M371 PolarHBondContact O-N 3.33Å
368I95.1Very high94.3Very high70 Ų7055.6 Ų55.636%0.35933%0.325SS..Hα-helixtrans-63.5-43.3-179.2-167.7172000111.4M334 C364 W365 S370 T372M334-I368 HydrophobicContact SD-CB 3.83Å; M334-I368 HydrophobicContact SD-CD1 4.08Å; M334-I368 HydrophobicContact SD-CG1 3.94Å; C364-I368 WeakPolarHBondContact O-CG2 3.45Å; C364-I368 PolarHBondContact O-N 3.02Å; W365-I368 HydrophobicContact CE3-CG2 4.16Å; W365-I368 WeakPolarHBondContact O-CG2 3.2Å; I368-S370 VanDerWaalsContact C-N 3.32Å; I368-S370 PolarHBondContact O-N 3.39Å; I368-T372 HydrophobicContact CG1-CG2 4.49Å; I368-T372 WeakPolarHBondContact O-CB 3.42Å; I368-T372 VanDerWaalsContact O-CG2 3.28Å; I368-T372 WeakPolarHBondContact O-CG2 3.42Å; I368-T372 PolarHBondContact O-N 3.43Å; I368-T372 VanDerWaalsContact O-N 3.09Å; I368-T372 PolarHBondContact O-OG1 3.3Å
369I95.4Very high94.5Very high7 Ų752.6 Ų52.64%0.03631%0.305CS..Hα-helixtrans-70.3-29.5178.767.7-179.4000112.2W365 W366 V367 T372 T373 V374 G375 Y376 D378W365-I369 HydrophobicContact CD2-CG2 4.29Å; W365-I369 HydrophobicContact CE3-CG2 4.37Å; W365-I369 HydrophobicContact CH2-CG2 4.11Å; W365-I369 HydrophobicContact CZ2-CG2 4.01Å; W365-I369 HydrophobicContact CZ3-CG2 4.28Å; W365-I369 WeakPolarHBondContact O-CG1 3.48Å; W365-I369 WeakPolarHBondContact O-CG2 3.23Å; W365-I369 PolarHBondContact O-N 3.43Å; W366-I369 VanDerWaalsContact O-CG1 3.23Å; W366-I369 WeakPolarHBondContact O-CG1 3.11Å; V367-I369 PolarHBondContact O-N 3.25Å; I369-T372 PolarHBondContact O-OG1 3.28Å; I369-T373 PolarHBondContact O-N 2.83Å; I369-V374 HydrophobicContact CB-CB 4.39Å; I369-V374 PolarHBondContact O-N 3.5Å; I369-G375 PolarHBondContact O-N 3.43Å; I369-G375 VanDerWaalsContact O-N 3.08Å; I369-Y376 HydrophobicContact CB-CD2 4.46Å; I369-Y376 HydrophobicContact CD1-CD2 4.35Å; I369-Y376 HydrophobicContact CG2-CD2 3.9Å; I369-Y376 HydrophobicContact CG2-CE2 4.04Å; I369-D378 WeakPolarHBondContact CD1-OD1 3.14Å
370S95.5Very high94.6Very high14 Ų1456.8 Ų56.810%0.09832%0.316CS..Hα-helixtrans-78.7-46.1178.3-60.90000112W366 V367 I368 T372 T373W366-S370 PolarHBondContact NE1-OG 3.37Å; W366-S370 VanDerWaalsContact O-CB 3.22Å; W366-S370 WeakPolarHBondContact O-CB 3.43Å; W366-S370 PolarHBondContact O-N 3.16Å; W366-S370 PolarHBondContact O-OG 3.46Å; V367-S370 PolarHBondContact O-N 3.2Å; I368-S370 VanDerWaalsContact C-N 3.32Å; I368-S370 PolarHBondContact O-N 3.39Å; S370-T372 VanDerWaalsContact C-N 3.28Å; S370-T372 PolarHBondContact O-N 3.15Å; S370-T373 PolarHBondContact O-N 2.95Å
371M93.5Very high94.5Very high5 Ų553.6 Ų53.63%0.02530%0.3CS..Hα-helixtrans-63.6-34.1176.8-73.4-174.77200112.3A333 M334 F337 V367 T373 C393 L400 L401A333-M371 HydrophobicContact CB-CE 3.73Å; A333-M371 HydrophobicContact CB-SD 4.29Å; M334-M371 HydrophobicContact CG-SD 4.15Å; F337-M371 HydrophobicContact CD2-SD 4.29Å; V367-M371 HydrophobicContact CG1-CG 3.9Å; V367-M371 HydrophobicContact CG1-SD 3.56Å; V367-M371 VanDerWaalsContact CG1-SD 3.56Å; V367-M371 WeakPolarHBondContact O-CB 3.38Å; V367-M371 WeakPolarHBondContact O-CG 3.32Å; V367-M371 PolarHBondContact O-N 3.33Å; M371-T373 VanDerWaalsContact C-N 3.25Å; M371-C393 VanDerWaalsContact CG-SG 3.59Å; M371-L400 HydrophobicContact CE-CD1 3.63Å; M371-L401 WeakPolarHBondContact O-CD1 3.25Å
372T93.4Very high94.4Very high58 Ų5851.7 Ų51.736%0.35628%0.284SS..THydrogen-bonded Turntrans-83.72.6174.957.80000113.5I368 I369 S370 V374 L401I368-T372 HydrophobicContact CG1-CG2 4.49Å; I368-T372 WeakPolarHBondContact O-CB 3.42Å; I368-T372 VanDerWaalsContact O-CG2 3.28Å; I368-T372 WeakPolarHBondContact O-CG2 3.42Å; I368-T372 PolarHBondContact O-N 3.43Å; I368-T372 VanDerWaalsContact O-N 3.09Å; I368-T372 PolarHBondContact O-OG1 3.3Å; I369-T372 PolarHBondContact O-OG1 3.28Å; S370-T372 VanDerWaalsContact C-N 3.28Å; S370-T372 PolarHBondContact O-N 3.15Å; T372-V374 PolarHBondContact O-N 3.43Å; T372-V374 WeakPolarHBondContact OG1-CG2 3.19Å; T372-L401 HydrophobicContact CG2-CD1 4.22Å
373T94.3Very high94.3Very high96 Ų9650.8 Ų50.859%0.58928%0.275SS*.THydrogen-bonded Turntrans59.722.4179.467.90000114.7I369 S370 M371 I398I369-T373 PolarHBondContact O-N 2.83Å; S370-T373 PolarHBondContact O-N 2.95Å; M371-T373 VanDerWaalsContact C-N 3.25Å; T373-I398 HydrophobicContact CG2-CD1 4.35Å; T373-I398 HydrophobicContact CG2-CG1 3.92Å
374V96.1Very high94.1Very high77 Ų7755.8 Ų55.847%0.46731%0.306SS..  trans-76.3-52.8175.7175.30000110.7I369 T372 Y376I369-V374 HydrophobicContact CB-CB 4.39Å; I369-V374 PolarHBondContact O-N 3.5Å; T372-V374 PolarHBondContact O-N 3.43Å; T372-V374 WeakPolarHBondContact OG1-CG2 3.19Å; V374-Y376 HydrophobicContact CG1-CD1 4.09Å; V374-Y376 HydrophobicContact CG1-CD2 4.07Å; V374-Y376 HydrophobicContact CG1-CE1 3.77Å; V374-Y376 HydrophobicContact CG1-CE2 3.75Å; V374-Y376 HydrophobicContact CG1-CG 4.22Å
375G94.3Very high93.9Very high47 Ų4756.8 Ų56.849%0.48531%0.312SS..  trans53.162.5173.100000115.4I369 G377I369-G375 PolarHBondContact O-N 3.43Å; I369-G375 VanDerWaalsContact O-N 3.08Å; G375-G377 PolarHBondContact O-N 2.93Å; G375-G377 VanDerWaalsContact O-N 3.1Å
376Y94.8Very high93.8Very high160 Ų16051.2 Ų51.263%0.62729%0.291SS*.  trans-56.5-26.4177.6-69-60.2000114W365 I369 V374 D378W365-Y376 HydrophobicContact CH2-CD2 4.41Å; W365-Y376 HydrophobicContact CH2-CE2 4Å; W365-Y376 AromaticContact CZ2-CD2 3.87Å; W365-Y376 HydrophobicContact CZ2-CD2 3.87Å; W365-Y376 AromaticContact CZ2-CE2 3.92Å; W365-Y376 HydrophobicContact CZ2-CE2 3.92Å; I369-Y376 HydrophobicContact CB-CD2 4.46Å; I369-Y376 HydrophobicContact CD1-CD2 4.35Å; I369-Y376 HydrophobicContact CG2-CD2 3.9Å; I369-Y376 HydrophobicContact CG2-CE2 4.04Å; V374-Y376 HydrophobicContact CG1-CD1 4.09Å; V374-Y376 HydrophobicContact CG1-CD2 4.07Å; V374-Y376 HydrophobicContact CG1-CE1 3.77Å; V374-Y376 HydrophobicContact CG1-CE2 3.75Å; V374-Y376 HydrophobicContact CG1-CG 4.22Å; Y376-D378 VanDerWaalsContact C-N 3.3Å; Y376-D378 WeakPolarHBondContact CB-OD1 3.37Å
377G92.9Very high93.7Very high49 Ų4958 Ų5851%0.50532%0.317SS..SBendtrans80.49.5179.600000114.2G375 M379G375-G377 PolarHBondContact O-N 2.93Å; G375-G377 VanDerWaalsContact O-N 3.1Å; G377-M379 VanDerWaalsContact C-N 3.35Å
378D93.6Very high93.6Very high81 Ų8163.4 Ų63.443%0.43335%0.345SS..SBendtrans-72.8-26.5174.260.8-37.6000113W365 I369 Y376W365-D378 PolarHBondContact NE1-OD2 3.29Å; I369-D378 WeakPolarHBondContact CD1-OD1 3.14Å; Y376-D378 VanDerWaalsContact C-N 3.3Å; Y376-D378 WeakPolarHBondContact CB-OD1 3.37Å
379M93.2Very high93.7Very high23 Ų2361.2 Ų61.211%0.11333%0.333CS..SBendtrans-136141.9172.6-64.1-179.554.900109.6D356 A362 W366 G377D356-M379 HydrophobicContact CB-CE 4Å; D356-M379 HydrophobicContact CB-CG 4.12Å; D356-M379 WeakPolarHBondContact O-CE 3.2Å; A362-M379 WeakPolarHBondContact O-CE 3.32Å; W366-M379 HydrophobicContact CB-CB 4.13Å; W366-M379 HydrophobicContact CB-CE 4.22Å; W366-M379 HydrophobicContact CG-CB 4.41Å; W366-M379 PolarHBondContact NE1-O 2.88Å; G377-M379 VanDerWaalsContact C-N 3.35Å
380Y93.3Very high93.7Very high133 Ų13361.3 Ų61.352%0.52234%0.336SS..  trans-160.6150.6174.955-89.5000112.4N354 I382N354-Y380 PolarHBondContact ND2-O 3.42Å; Y380-I382 HydrophobicContact CD2-CG2 4.07Å; Y380-I382 HydrophobicContact CE2-CG2 3.78Å
381P92.9Very high93.6Very high14 Ų1462.6 Ų62.69%0.09135%0.352CS..  trans-70.9130.7177.527.8-34.3000111.1E345 W366 R387E345-P381 VanDerWaalsContact CD-CA 3.4Å; E345-P381 HydrophobicContact CG-CB 4.08Å; E345-P381 WeakPolarHBondContact OE1-CA 3.39Å; E345-P381 WeakPolarHBondContact OE1-CB 3.45Å; E345-P381 WeakPolarHBondContact OE2-CA 3.35Å; W366-P381 HydrophobicContact CH2-CG 4.05Å; W366-P381 HydrophobicContact CZ2-CG 3.68Å; P381-R387 HydrophobicContact CG-CG 4.45Å; P381-R387 WeakPolarHBondContact O-CG 3.43Å
382I91.5Very high93.8Very high60 Ų6066.2 Ų66.231%0.30837%0.374SS..  trans-97.9-25.6178.760.3173.1000111.9E345 N354 Y380 R387E345-I382 PolarHBondContact OE1-N 2.8Å; E345-I382 WeakPolarHBondContact OE2-CG1 3.48Å; E345-I382 PolarHBondContact OE2-N 3.34Å; N354-I382 HydrophobicContact CB-CD1 3.94Å; N354-I382 HydrophobicContact CB-CG1 4.01Å; Y380-I382 HydrophobicContact CD2-CG2 4.07Å; Y380-I382 HydrophobicContact CE2-CG2 3.78Å; I382-R387 PolarHBondContact O-NE 2.92Å; I382-R387 PolarHBondContact O-NH2 3.05Å
383T91.1Very high93.9Very high6 Ų663.5 Ų63.54%0.03736%0.357CS..SBendtrans-77149.6-178.173.60000111.2E345 L350 G386 R387E345-T383 VanDerWaalsContact OE1-CB 3.31Å; E345-T383 WeakPolarHBondContact OE1-CB 3.49Å; E345-T383 PolarHBondContact OE1-N 3.37Å; E345-T383 PolarHBondContact OE1-OG1 3.08Å; L350-T383 HydrophobicContact CD1-CG2 4.43Å; T383-G386 PolarHBondContact O-N 2.63Å; T383-G386 WeakPolarHBondContact OG1-CA 3.12Å; T383-G386 PolarHBondContact OG1-N 3.42Å; T383-R387 VanDerWaalsContact O-CG 3.32Å; T383-R387 WeakPolarHBondContact O-CG 3.37Å; T383-R387 PolarHBondContact O-N 2.9Å
384V90.9Very high94Very high105 Ų10561.5 Ų61.564%0.63635%0.345SS*.Hα-helixtrans-55.5-51.3174.7179.20000112.4G386 R387 I388V384-G386 VanDerWaalsContact C-N 3.34Å; V384-G386 PolarHBondContact O-N 3.09Å; V384-R387 PolarHBondContact O-N 3.46Å; V384-I388 HydrophobicContact CG1-CD1 4.26Å; V384-I388 WeakPolarHBondContact O-CG1 3.49Å; V384-I388 PolarHBondContact O-N 3.4Å; V384-I388 VanDerWaalsContact O-N 3.1Å
385P91.8Very high93.9Very high57 Ų5762.4 Ų62.437%0.3735%0.35SS..Hα-helixtrans-64.8-36177.826.6-36000112.6L344 R387 I388 L389L344-P385 HydrophobicContact CD1-CB 4.19Å; L344-P385 HydrophobicContact CD2-CB 4.05Å; L344-P385 HydrophobicContact CD2-CG 4.3Å; P385-R387 PolarHBondContact O-N 3.36Å; P385-I388 PolarHBondContact O-N 2.94Å; P385-L389 WeakPolarHBondContact O-CB 3.23Å; P385-L389 PolarHBondContact O-N 3.46Å
386G93Very high93.9Very high1 Ų161.9 Ų61.91%0.0134%0.339CS..Hα-helixtrans-63.9-37.7174.700000113.1E345 T383 V384 L389 G390E345-G386 WeakPolarHBondContact OE1-CA 3.23Å; T383-G386 PolarHBondContact O-N 2.63Å; T383-G386 WeakPolarHBondContact OG1-CA 3.12Å; T383-G386 PolarHBondContact OG1-N 3.42Å; V384-G386 VanDerWaalsContact C-N 3.34Å; V384-G386 PolarHBondContact O-N 3.09Å; G386-L389 PolarHBondContact O-N 3.34Å; G386-G390 PolarHBondContact O-N 3.3Å
387R93.8Very high93.8Very high154 Ų15454.2 Ų54.258%0.58131%0.309SS*.Hα-helixtrans-66.2-40.8173.8-71.5176.9-169.1-179.98.3112.5P381 I382 T383 V384 P385 G390 G391P381-R387 HydrophobicContact CG-CG 4.45Å; P381-R387 WeakPolarHBondContact O-CG 3.43Å; I382-R387 PolarHBondContact O-NE 2.92Å; I382-R387 PolarHBondContact O-NH2 3.05Å; T383-R387 VanDerWaalsContact O-CG 3.32Å; T383-R387 WeakPolarHBondContact O-CG 3.37Å; T383-R387 PolarHBondContact O-N 2.9Å; V384-R387 PolarHBondContact O-N 3.46Å; P385-R387 PolarHBondContact O-N 3.36Å; R387-G390 PolarHBondContact O-N 2.91Å; R387-G391 PolarHBondContact O-N 3.34Å
388I96Very high93.8Very high115 Ų11556.1 Ų56.159%0.5931%0.307SS*.Hα-helixtrans-62.2-46.9174.3-65.9169.7000109.8V384 P385 G390 G391 V392V384-I388 HydrophobicContact CG1-CD1 4.26Å; V384-I388 WeakPolarHBondContact O-CG1 3.49Å; V384-I388 PolarHBondContact O-N 3.4Å; V384-I388 VanDerWaalsContact O-N 3.1Å; P385-I388 PolarHBondContact O-N 2.94Å; I388-G390 VanDerWaalsContact C-N 3.28Å; I388-G390 PolarHBondContact O-N 3.31Å; I388-G391 PolarHBondContact O-N 3.27Å; I388-G391 VanDerWaalsContact O-N 3.17Å; I388-V392 PolarHBondContact O-N 2.91Å; I388-V392 VanDerWaalsContact O-N 3.1Å
389L95.9Very high93.7Very high23 Ų2356.3 Ų56.312%0.1231%0.311CS..Hα-helixtrans-59-40.2175.1-176.571.3000111.6F337 L340 L344 P385 G386 G391 V392 C393F337-L389 HydrophobicContact CD1-CD1 3.93Å; F337-L389 HydrophobicContact CD1-CG 4.3Å; F337-L389 HydrophobicContact CE1-CD1 4.07Å; L340-L389 HydrophobicContact CB-CD1 4.31Å; L340-L389 HydrophobicContact CB-CD2 3.56Å; L340-L389 HydrophobicContact CD1-CD1 4.07Å; L344-L389 HydrophobicContact CD1-CB 4.04Å; L344-L389 HydrophobicContact CD1-CD2 3.81Å; L344-L389 HydrophobicContact CD1-CG 4.46Å; P385-L389 WeakPolarHBondContact O-CB 3.23Å; P385-L389 PolarHBondContact O-N 3.46Å; G386-L389 PolarHBondContact O-N 3.34Å; L389-G391 PolarHBondContact O-N 3.2Å; L389-V392 PolarHBondContact O-N 3.42Å; L389-C393 VanDerWaalsContact O-CB 3.3Å; L389-C393 WeakPolarHBondContact O-CB 3.4Å; L389-C393 PolarHBondContact O-N 2.97Å
390G95.1Very high93.6Very high9 Ų957.2 Ų57.29%0.09332%0.316CS..Hα-helixtrans-60.6-42.117500000113G386 R387 I388 V392 C393 V394G386-G390 PolarHBondContact O-N 3.3Å; R387-G390 PolarHBondContact O-N 2.91Å; I388-G390 VanDerWaalsContact C-N 3.28Å; I388-G390 PolarHBondContact O-N 3.31Å; G390-V392 PolarHBondContact O-N 3.37Å; G390-C393 WeakPolarHBondContact O-CB 3.33Å; G390-C393 PolarHBondContact O-N 3.43Å; G390-V394 WeakPolarHBondContact O-CG2 3.42Å; G390-V394 PolarHBondContact O-N 2.83Å
391G95.4Very high93.4Very high42 Ų4252.9 Ų52.943%0.43330%0.302SS..Hα-helixtrans-58.4-46.5172.400000112.5R387 I388 L389 C393 V394 V395R387-G391 PolarHBondContact O-N 3.34Å; I388-G391 PolarHBondContact O-N 3.27Å; I388-G391 VanDerWaalsContact O-N 3.17Å; L389-G391 PolarHBondContact O-N 3.2Å; G391-C393 VanDerWaalsContact C-N 3.35Å; G391-C393 PolarHBondContact O-N 3.45Å; G391-V394 PolarHBondContact O-N 2.58Å; G391-V395 WeakPolarHBondContact O-CG2 3.47Å; G391-V395 PolarHBondContact O-N 3.27Å
392V96.5Very high93.2Very high81 Ų8154.4 Ų54.449%0.49132%0.315SS..Hα-helixtrans-64.2-39.9176.5177.40000111.6F337 I388 L389 G390 V395 S396F337-V392 HydrophobicContact CE1-CG1 4.19Å; F337-V392 HydrophobicContact CZ-CG1 4.33Å; I388-V392 PolarHBondContact O-N 2.91Å; I388-V392 VanDerWaalsContact O-N 3.1Å; L389-V392 PolarHBondContact O-N 3.42Å; G390-V392 PolarHBondContact O-N 3.37Å; V392-V395 PolarHBondContact O-N 2.91Å; V392-S396 VanDerWaalsContact O-CB 3.23Å; V392-S396 WeakPolarHBondContact O-CB 3.22Å; V392-S396 PolarHBondContact O-N 2.91Å
393C96Very high92.6Very high0 Ų057.6 Ų57.60%033%0.332CS..Hα-helixtrans-61.2-46.4178.8-177.40000111.8F337 M371 L389 G390 G391 S396 G397F337-C393 HydrophobicContact CD1-CB 3.81Å; F337-C393 HydrophobicContact CE1-CB 3.95Å; F337-C393 HydrophobicContact CG-CB 4.16Å; F337-C393 HydrophobicContact CZ-CB 4.4Å; M371-C393 VanDerWaalsContact CG-SG 3.59Å; L389-C393 VanDerWaalsContact O-CB 3.3Å; L389-C393 WeakPolarHBondContact O-CB 3.4Å; L389-C393 PolarHBondContact O-N 2.97Å; G390-C393 WeakPolarHBondContact O-CB 3.33Å; G390-C393 PolarHBondContact O-N 3.43Å; G391-C393 VanDerWaalsContact C-N 3.35Å; G391-C393 PolarHBondContact O-N 3.45Å; C393-S396 PolarHBondContact O-N 3.46Å; C393-G397 PolarHBondContact O-N 2.97Å
394V95.7Very high92.2Very high55 Ų5558.5 Ų58.533%0.33334%0.338SS..Hα-helixtrans-63.7-47.6178.2173.30000111.1G390 G391 S396 G397 I398G390-V394 WeakPolarHBondContact O-CG2 3.42Å; G390-V394 PolarHBondContact O-N 2.83Å; G391-V394 PolarHBondContact O-N 2.58Å; V394-S396 VanDerWaalsContact C-N 3.34Å; V394-S396 PolarHBondContact O-N 3.06Å; V394-G397 PolarHBondContact O-N 3.45Å; V394-I398 HydrophobicContact CG1-CD1 4.1Å; V394-I398 WeakPolarHBondContact O-CG1 3.33Å; V394-I398 PolarHBondContact O-N 3.04Å
395V95.1Very high91.9Very high95 Ų9558.1 Ų58.158%0.57633%0.332SS*.Hα-helixtrans-61.2-44177.9174.10000111G391 V392 I398 V399G391-V395 WeakPolarHBondContact O-CG2 3.47Å; G391-V395 PolarHBondContact O-N 3.27Å; V392-V395 PolarHBondContact O-N 2.91Å; V395-I398 PolarHBondContact O-N 2.77Å; V395-V399 WeakPolarHBondContact O-CG2 3.49Å; V395-V399 PolarHBondContact O-N 3.41Å
396S93.6Very high91.7Very high36 Ų3659 Ų5925%0.25234%0.336SS..Hα-helixtrans-62.1-42.9176.6-178.70000112.1V392 C393 V394 V399 L400V392-S396 VanDerWaalsContact O-CB 3.23Å; V392-S396 WeakPolarHBondContact O-CB 3.22Å; V392-S396 PolarHBondContact O-N 2.91Å; C393-S396 PolarHBondContact O-N 3.46Å; V394-S396 VanDerWaalsContact C-N 3.34Å; V394-S396 PolarHBondContact O-N 3.06Å; S396-V399 PolarHBondContact O-N 3.28Å; S396-L400 WeakPolarHBondContact O-CB 3.33Å; S396-L400 VanDerWaalsContact O-CG 3.32Å; S396-L400 WeakPolarHBondContact O-CG 3.38Å; S396-L400 PolarHBondContact O-N 3.08Å
397G93.2Very high91.2Very high0 Ų063.3 Ų63.30%036%0.355CS..Hα-helixtrans-59.3-46.2176.800000112.9C393 V394 V399 L400 L401C393-G397 PolarHBondContact O-N 2.97Å; V394-G397 PolarHBondContact O-N 3.45Å; G397-V399 PolarHBondContact O-N 3.47Å; G397-L400 PolarHBondContact O-N 2.92Å; G397-L401 WeakPolarHBondContact O-CB 3.36Å; G397-L401 VanDerWaalsContact O-CG 3.32Å; G397-L401 WeakPolarHBondContact O-CG 3.44Å; G397-L401 PolarHBondContact O-N 3.09Å
398I92.9Very high90.7Very high89 Ų8957.9 Ų57.946%0.45634%0.336SS..Hα-helixtrans-58.5-47.3177-66.7166.2000110.8T373 V394 V395 A402T373-I398 HydrophobicContact CG2-CD1 4.35Å; T373-I398 HydrophobicContact CG2-CG1 3.92Å; V394-I398 HydrophobicContact CG1-CD1 4.1Å; V394-I398 WeakPolarHBondContact O-CG1 3.33Å; V394-I398 PolarHBondContact O-N 3.04Å; V395-I398 PolarHBondContact O-N 2.77Å; I398-A402 WeakPolarHBondContact O-CB 3.23Å; I398-A402 PolarHBondContact O-N 2.87Å
399V91.1Very high90.2Very high84 Ų8459.2 Ų59.251%0.50934%0.335SS..Hα-helixtrans-65-45.4180174.20000111.6V395 S396 G397 L401 A402V395-V399 WeakPolarHBondContact O-CG2 3.49Å; V395-V399 PolarHBondContact O-N 3.41Å; S396-V399 PolarHBondContact O-N 3.28Å; G397-V399 PolarHBondContact O-N 3.47Å; V399-L401 VanDerWaalsContact C-N 3.35Å; V399-L401 PolarHBondContact O-N 3.5Å; V399-A402 PolarHBondContact O-N 3.21Å
400L89.9Confident89.5Confident43 Ų4363.9 Ų63.923%0.22536%0.356CS..Hα-helixtrans-64.2-37.8-178.9-76.2172000112.5L326 F329 A333 M371 S396 G397 P404L326-L400 WeakPolarHBondContact CD1-O 3.44Å; F329-L400 HydrophobicContact CB-CD2 4.41Å; A333-L400 HydrophobicContact CB-CD1 3.65Å; M371-L400 HydrophobicContact CE-CD1 3.63Å; S396-L400 WeakPolarHBondContact O-CB 3.33Å; S396-L400 VanDerWaalsContact O-CG 3.32Å; S396-L400 WeakPolarHBondContact O-CG 3.38Å; S396-L400 PolarHBondContact O-N 3.08Å; G397-L400 PolarHBondContact O-N 2.92Å; L400-P404 WeakPolarHBondContact O-CD 3.34Å
401L89.7Confident88.7Confident42 Ų4264 Ų6422%0.2236%0.356CS..Hα-helixtrans-78.4-35.4178.5-66.6174.3000112.3I330 M371 T372 G397 V399 L403 P404 I405I330-L401 HydrophobicContact CD1-CD2 3.66Å; I330-L401 HydrophobicContact CG1-CD2 4.4Å; M371-L401 WeakPolarHBondContact O-CD1 3.25Å; T372-L401 HydrophobicContact CG2-CD1 4.22Å; G397-L401 WeakPolarHBondContact O-CB 3.36Å; G397-L401 VanDerWaalsContact O-CG 3.32Å; G397-L401 WeakPolarHBondContact O-CG 3.44Å; G397-L401 PolarHBondContact O-N 3.09Å; V399-L401 VanDerWaalsContact C-N 3.35Å; V399-L401 PolarHBondContact O-N 3.5Å; L401-L403 PolarHBondContact O-N 3.27Å; L401-P404 WeakPolarHBondContact O-CD 3.35Å; L401-I405 HydrophobicContact CB-CD1 4.18Å; L401-I405 WeakPolarHBondContact O-CB 3.47Å; L401-I405 VanDerWaalsContact O-CD1 3.24Å; L401-I405 WeakPolarHBondContact O-CD1 3.48Å; L401-I405 WeakPolarHBondContact O-CG1 3.47Å; L401-I405 PolarHBondContact O-N 3.39Å
402A88.9Confident88.1Confident46 Ų4665 Ų6538%0.3835%0.348SS..Hα-helixtrans-63.1-42.3-174.600000113.9I398 V399 T406I398-A402 WeakPolarHBondContact O-CB 3.23Å; I398-A402 PolarHBondContact O-N 2.87Å; V399-A402 PolarHBondContact O-N 3.21Å; A402-T406 PolarHBondContact O-N 3.36Å; A402-T406 VanDerWaalsContact O-N 3.15Å; A402-T406 PolarHBondContact O-OG1 3.18Å
403L79.9Confident87.2Confident127 Ų12763.2 Ų63.267%0.66534%0.337SS*.Hα-helixtrans-63.9-50.2-174.4-58.9170.8000111.7L401 T406 F407L401-L403 PolarHBondContact O-N 3.27Å; L403-T406 WeakPolarHBondContact O-CB 3.45Å; L403-T406 PolarHBondContact O-N 3.47Å; L403-F407 PolarHBondContact O-N 3.38Å
404P81.1Confident86.2Confident24 Ų2468 Ų6816%0.15636%0.36CS..Hα-helixtrans-77.6-29.8-176-27.747.2000112.4M323 L326 L400 L401 T406 F407 I408M323-P404 HydrophobicContact CE-CB 3.9Å; L326-P404 HydrophobicContact CB-CB 4.02Å; L326-P404 HydrophobicContact CB-CG 3.99Å; L326-P404 HydrophobicContact CD1-CB 3.9Å; L326-P404 HydrophobicContact CD1-CG 3.41Å; L326-P404 VanDerWaalsContact CD1-CG 3.41Å; L326-P404 HydrophobicContact CD2-CB 3.69Å; L326-P404 HydrophobicContact CD2-CG 4.2Å; L326-P404 HydrophobicContact CG-CB 4.03Å; L326-P404 HydrophobicContact CG-CG 4.01Å; L400-P404 WeakPolarHBondContact O-CD 3.34Å; L401-P404 WeakPolarHBondContact O-CD 3.35Å; P404-T406 VanDerWaalsContact C-N 3.25Å; P404-T406 PolarHBondContact O-N 3.03Å; P404-F407 PolarHBondContact O-N 3.2Å; P404-F407 VanDerWaalsContact O-N 3.16Å; P404-I408 WeakPolarHBondContact O-CG1 3.43Å; P404-I408 PolarHBondContact O-N 2.94Å
405I85.6Confident85.2Confident98 Ų9865.4 Ų65.450%0.50334%0.344SS..Hα-helixtrans-56.6-44.4170.9-69.9169.5000110.2L401 F407 I408 Y409L401-I405 HydrophobicContact CB-CD1 4.18Å; L401-I405 WeakPolarHBondContact O-CB 3.47Å; L401-I405 VanDerWaalsContact O-CD1 3.24Å; L401-I405 WeakPolarHBondContact O-CD1 3.48Å; L401-I405 WeakPolarHBondContact O-CG1 3.47Å; L401-I405 PolarHBondContact O-N 3.39Å; I405-F407 VanDerWaalsContact C-N 3.35Å; I405-F407 PolarHBondContact O-N 3.27Å; I405-I408 PolarHBondContact O-N 3.03Å; I405-Y409 VanDerWaalsContact O-CB 3.3Å; I405-Y409 WeakPolarHBondContact O-CB 3.03Å; I405-Y409 PolarHBondContact O-N 3.05Å
406T86.3Confident84.3Confident75 Ų7565.2 Ų65.246%0.4633%0.333SS..Hα-helixtrans-62.2-42.6177.5-54.30000111.5A402 L403 P404 Y409 H410A402-T406 PolarHBondContact O-N 3.36Å; A402-T406 VanDerWaalsContact O-N 3.15Å; A402-T406 PolarHBondContact O-OG1 3.18Å; L403-T406 WeakPolarHBondContact O-CB 3.45Å; L403-T406 PolarHBondContact O-N 3.47Å; P404-T406 VanDerWaalsContact C-N 3.25Å; P404-T406 PolarHBondContact O-N 3.03Å; T406-Y409 PolarHBondContact O-N 3.43Å; T406-H410 PolarHBondContact O-CD2 2.89Å; T406-H410 VanDerWaalsContact O-CD2 3.28Å; T406-H410 PolarHBondContact O-N 2.97Å
407F82.6Confident83.2Confident92 Ų9268 Ų6840%0.40434%0.342SS..Hα-helixtrans-65.5-45.4176.9-179.6-93.3000113.2C319 E322 L403 P404 I405 Y409 H410 S411C319-F407 HydrophobicContact CB-CD1 4.21Å; C319-F407 HydrophobicContact CB-CE1 3.67Å; E322-F407 HydrophobicContact CB-CD1 4.07Å; E322-F407 HydrophobicContact CB-CE1 3.9Å; E322-F407 HydrophobicContact CG-CD1 4.07Å; E322-F407 HydrophobicContact CG-CE1 3.49Å; E322-F407 VanDerWaalsContact CG-CE1 3.49Å; E322-F407 HydrophobicContact CG-CZ 3.84Å; L403-F407 PolarHBondContact O-N 3.38Å; P404-F407 PolarHBondContact O-N 3.2Å; P404-F407 VanDerWaalsContact O-N 3.16Å; I405-F407 VanDerWaalsContact C-N 3.35Å; I405-F407 PolarHBondContact O-N 3.27Å; F407-Y409 VanDerWaalsContact C-N 3.27Å; F407-Y409 PolarHBondContact O-N 3.43Å; F407-H410 PolarHBondContact O-N 3.09Å; F407-S411 WeakPolarHBondContact O-CB 3.3Å; F407-S411 PolarHBondContact O-N 3.33Å; F407-S411 PolarHBondContact O-OG 2.85Å
408I85Confident82.2Confident39 Ų3971.6 Ų71.620%0.236%0.359CS..Hα-helixtrans-59-44.3174.5-61161.5000109.3T315 M323 P404 I405 S411 F412T315-I408 HydrophobicContact CG2-CG2 4.17Å; M323-I408 HydrophobicContact CE-CD1 3.41Å; M323-I408 VanDerWaalsContact CE-CD1 3.41Å; M323-I408 HydrophobicContact CE-CG1 3.39Å; M323-I408 HydrophobicContact SD-CD1 3.23Å; M323-I408 WeakPolarHBondContact SD-CD1 3.48Å; M323-I408 HydrophobicContact SD-CG1 3.53Å; M323-I408 VanDerWaalsContact SD-CG1 3.53Å; P404-I408 WeakPolarHBondContact O-CG1 3.43Å; P404-I408 PolarHBondContact O-N 2.94Å; I405-I408 PolarHBondContact O-N 3.03Å; I408-S411 CarbonylContact O-C 3.46Å; I408-S411 WeakPolarHBondContact O-CB 3.4Å; I408-S411 PolarHBondContact O-N 2.75Å; I408-F412 VanDerWaalsContact O-CB 3.31Å; I408-F412 WeakPolarHBondContact O-CB 3.39Å; I408-F412 PolarHBondContact O-N 2.81Å
409Y85.6Confident81Confident143 Ų14369.1 Ų69.156%0.56135%0.346SS*.Hα-helixtrans-60.1-48.7-179.7174.2-100.7000111.7I405 T406 F407 S411 F412 V413I405-Y409 VanDerWaalsContact O-CB 3.3Å; I405-Y409 WeakPolarHBondContact O-CB 3.03Å; I405-Y409 PolarHBondContact O-N 3.05Å; T406-Y409 PolarHBondContact O-N 3.43Å; F407-Y409 VanDerWaalsContact C-N 3.27Å; F407-Y409 PolarHBondContact O-N 3.43Å; Y409-S411 VanDerWaalsContact C-N 3.33Å; Y409-S411 PolarHBondContact O-N 3.35Å; Y409-F412 WeakPolarHBondContact O-CB 3.45Å; Y409-F412 PolarHBondContact O-N 3.4Å; Y409-V413 HydrophobicContact CD1-CG2 4.41Å; Y409-V413 HydrophobicContact CD2-CG2 4.4Å; Y409-V413 HydrophobicContact CE1-CG2 3.95Å; Y409-V413 HydrophobicContact CE2-CG2 3.94Å; Y409-V413 WeakPolarHBondContact O-CG2 3.21Å; Y409-V413 PolarHBondContact O-N 3.32Å
410H79.9Confident80.2Confident121 Ų12170.9 Ų70.956%0.5635%0.347SS*.Hα-helixtrans-60.9-42.6175.5-83.1-68.9000112.4T406 F407 F412 V413 Q414T406-H410 PolarHBondContact O-CD2 2.89Å; T406-H410 VanDerWaalsContact O-CD2 3.28Å; T406-H410 PolarHBondContact O-N 2.97Å; F407-H410 PolarHBondContact O-N 3.09Å; H410-F412 VanDerWaalsContact C-N 3.3Å; H410-F412 PolarHBondContact O-N 3.32Å; H410-V413 PolarHBondContact O-N 3.01Å; H410-Q414 PolarHBondContact O-N 2.71Å
411S78.9Confident79.3Confident12 Ų1274.9 Ų74.98%0.08436%0.363CS..Hα-helixtrans-62.1-38.7175.7-61.10000111.9F407 I408 Y409 Q414 C415F407-S411 WeakPolarHBondContact O-CB 3.3Å; F407-S411 PolarHBondContact O-N 3.33Å; F407-S411 PolarHBondContact O-OG 2.85Å; I408-S411 CarbonylContact O-C 3.46Å; I408-S411 WeakPolarHBondContact O-CB 3.4Å; I408-S411 PolarHBondContact O-N 2.75Å; Y409-S411 VanDerWaalsContact C-N 3.33Å; Y409-S411 PolarHBondContact O-N 3.35Å; S411-Q414 PolarHBondContact O-N 3.33Å; S411-C415 WeakPolarHBondContact O-CB 3.3Å; S411-C415 PolarHBondContact O-N 2.98Å; S411-C415 PolarHBondContact O-SG 3.1Å
412F81.7Confident78.1Confident63 Ų6377.1 Ų77.128%0.27637%0.369SS..Hα-helixtrans-65.4-48.3176.9178.4-92.5000111.4T311 L312 T315 I408 Y409 H410 Q414 C415 Y416T311-F412 HydrophobicContact CG2-CD2 3.7Å; T311-F412 HydrophobicContact CG2-CE2 3.55Å; T311-F412 HydrophobicContact CG2-CG 4.34Å; T311-F412 HydrophobicContact CG2-CZ 4.07Å; L312-F412 HydrophobicContact CB-CE2 4.48Å; T315-F412 HydrophobicContact CG2-CB 3.99Å; T315-F412 WeakPolarHBondContact OG1-CA 3.48Å; I408-F412 VanDerWaalsContact O-CB 3.31Å; I408-F412 WeakPolarHBondContact O-CB 3.39Å; I408-F412 PolarHBondContact O-N 2.81Å; Y409-F412 WeakPolarHBondContact O-CB 3.45Å; Y409-F412 PolarHBondContact O-N 3.4Å; H410-F412 VanDerWaalsContact C-N 3.3Å; H410-F412 PolarHBondContact O-N 3.32Å; F412-Q414 VanDerWaalsContact C-N 3.29Å; F412-Q414 PolarHBondContact O-N 2.88Å; F412-C415 PolarHBondContact O-N 3.21Å; F412-Y416 VanDerWaalsContact O-CB 3.24Å; F412-Y416 WeakPolarHBondContact O-CB 3.45Å; F412-Y416 PolarHBondContact O-N 3.5Å
413V78.7Confident76.9Confident43 Ų4377.3 Ų77.326%0.26137%0.367SS..Hα-helixtrans-58.6-44.2177.5170.90000110.4Y409 H410 Y416 H417Y409-V413 HydrophobicContact CD1-CG2 4.41Å; Y409-V413 HydrophobicContact CD2-CG2 4.4Å; Y409-V413 HydrophobicContact CE1-CG2 3.95Å; Y409-V413 HydrophobicContact CE2-CG2 3.94Å; Y409-V413 WeakPolarHBondContact O-CG2 3.21Å; Y409-V413 PolarHBondContact O-N 3.32Å; H410-V413 PolarHBondContact O-N 3.01Å; V413-Y416 PolarHBondContact O-N 3.07Å; V413-H417 PolarHBondContact O-CD2 3Å; V413-H417 PolarHBondContact O-N 3.39Å
414Q74.6Confident76.2Confident102 Ų10273.6 Ų73.648%0.47736%0.355SS..Hα-helixtrans-62.1-50.7176.8-174.9176.8-9.500112H410 S411 F412 Y416 H417 E418H410-Q414 PolarHBondContact O-N 2.71Å; S411-Q414 PolarHBondContact O-N 3.33Å; F412-Q414 VanDerWaalsContact C-N 3.29Å; F412-Q414 PolarHBondContact O-N 2.88Å; Q414-Y416 VanDerWaalsContact C-N 3.28Å; Q414-Y416 PolarHBondContact O-N 3.49Å; Q414-H417 PolarHBondContact O-N 3.45Å; Q414-E418 WeakPolarHBondContact O-CB 3.41Å; Q414-E418 PolarHBondContact O-N 3.27Å
415C73.8Confident75.3Confident0 Ų079.4 Ų79.40%037%0.374CS..Hα-helixtrans-62.4-36.2178.4-66.60000111.8T311 L314 S411 F412 E418 L419T311-C415 HydrophobicContact CG2-CB 3.89Å; L314-C415 HydrophobicContact CD2-CB 4.31Å; S411-C415 WeakPolarHBondContact O-CB 3.3Å; S411-C415 PolarHBondContact O-N 2.98Å; S411-C415 PolarHBondContact O-SG 3.1Å; F412-C415 PolarHBondContact O-N 3.21Å; C415-E418 PolarHBondContact O-N 2.99Å; C415-L419 WeakPolarHBondContact O-CB 3.38Å; C415-L419 WeakPolarHBondContact O-CG 3.26Å; C415-L419 PolarHBondContact O-N 3.03Å
416Y76.7Confident73.9Confident90 Ų9078.9 Ų78.935%0.35337%0.366SS..Hα-helixtrans-63.5-49.4177.4178.2-107.3000111.3F412 V413 Q414 E418 L419 K420F412-Y416 VanDerWaalsContact O-CB 3.24Å; F412-Y416 WeakPolarHBondContact O-CB 3.45Å; F412-Y416 PolarHBondContact O-N 3.5Å; V413-Y416 PolarHBondContact O-N 3.07Å; Q414-Y416 VanDerWaalsContact C-N 3.28Å; Q414-Y416 PolarHBondContact O-N 3.49Å; Y416-E418 VanDerWaalsContact C-N 3.33Å; Y416-E418 PolarHBondContact O-N 3.47Å; Y416-L419 PolarHBondContact O-N 3.06Å; Y416-K420 HydrophobicContact CE1-CD 4.22Å; Y416-K420 VanDerWaalsContact O-CB 3.27Å; Y416-K420 WeakPolarHBondContact O-CB 3.34Å; Y416-K420 PolarHBondContact O-N 3.34Å
417H72.1Confident72.5Confident95 Ų9578.9 Ų78.944%0.4437%0.369SS..Hα-helixtrans-61.5-43.6176.8-82.1-69.9000111.3V413 Q414 K420 F421V413-H417 PolarHBondContact O-CD2 3Å; V413-H417 PolarHBondContact O-N 3.39Å; Q414-H417 PolarHBondContact O-N 3.45Å; H417-K420 PolarHBondContact O-N 3.45Å; H417-F421 HydrophobicContact CB-CD2 4.42Å; H417-F421 WeakPolarHBondContact O-CB 3.46Å; H417-F421 WeakPolarHBondContact O-CD2 3.48Å; H417-F421 PolarHBondContact O-N 2.82Å
418E71.3Confident71.2Confident76 Ų7684 Ų8436%0.35539%0.386SS..Hα-helixtrans-57.9-50.7177.9-170.3179.2163.200112R318 Q414 C415 Y416 K420 F421 R422R318-E418 IonicContact NH1-OE2 3.57Å; Q414-E418 WeakPolarHBondContact O-CB 3.41Å; Q414-E418 PolarHBondContact O-N 3.27Å; C415-E418 PolarHBondContact O-N 2.99Å; Y416-E418 VanDerWaalsContact C-N 3.33Å; Y416-E418 PolarHBondContact O-N 3.47Å; E418-K420 PolarHBondContact O-N 3.26Å; E418-F421 PolarHBondContact O-N 3.44Å; E418-R422 WeakPolarHBondContact O-CB 3.48Å; E418-R422 PolarHBondContact O-N 3.2Å
419L68.7Low69.6Low36 Ų3685 Ų8519%0.18840%0.397CS..Hα-helixtrans-63.9-40.4177.4-74.4168.6000112.2T311 L314 C415 Y416 R422 S423T311-L419 HydrophobicContact CG2-CD1 4.34Å; T311-L419 VanDerWaalsContact OG1-CD1 3.28Å; T311-L419 WeakPolarHBondContact OG1-CD1 3.46Å; L314-L419 HydrophobicContact CD2-CD1 4.16Å; L314-L419 HydrophobicContact CD2-CD2 4.5Å; L314-L419 HydrophobicContact CD2-CG 4.33Å; C415-L419 WeakPolarHBondContact O-CB 3.38Å; C415-L419 WeakPolarHBondContact O-CG 3.26Å; C415-L419 PolarHBondContact O-N 3.03Å; Y416-L419 PolarHBondContact O-N 3.06Å; L419-R422 PolarHBondContact O-N 2.93Å; L419-S423 PolarHBondContact O-N 2.92Å
420K72.7Confident68Low121 Ų12179.6 Ų79.653%0.52638%0.377SS..Hα-helixtrans-64.7-43.9177.1-172.4175.3-178.7178.40111.8Y416 H417 E418 R422 S423 A424Y416-K420 HydrophobicContact CE1-CD 4.22Å; Y416-K420 VanDerWaalsContact O-CB 3.27Å; Y416-K420 WeakPolarHBondContact O-CB 3.34Å; Y416-K420 PolarHBondContact O-N 3.34Å; H417-K420 PolarHBondContact O-N 3.45Å; E418-K420 PolarHBondContact O-N 3.26Å; K420-R422 VanDerWaalsContact C-N 3.35Å; K420-S423 PolarHBondContact O-N 2.79Å; K420-A424 WeakPolarHBondContact O-CB 3.17Å; K420-A424 PolarHBondContact O-N 3.49Å
421F71.1Confident66.6Low128 Ų12877 Ų7756%0.56137%0.373SS*.Hα-helixtrans-64.4-39.8175.5-85.9-65.2000112H417 E418 A424 R425H417-F421 HydrophobicContact CB-CD2 4.42Å; H417-F421 WeakPolarHBondContact O-CB 3.46Å; H417-F421 WeakPolarHBondContact O-CD2 3.48Å; H417-F421 PolarHBondContact O-N 2.82Å; E418-F421 PolarHBondContact O-N 3.44Å; F421-A424 PolarHBondContact O-N 3.47Å; F421-R425 PolarHBondContact O-N 3.1Å
422R64.4Low65.2Low88 Ų8879 Ų7933%0.33239%0.389SS..Hα-helixtrans-61.1-47.8175.1-177.8177.4144.3163.6-4.2111.2F126 D130 E418 L419 K420 A424 R425 Y426F126-R422 HydrophobicContact CE2-CB 4.39Å; F126-R422 HydrophobicContact CE2-CG 4.38Å; F126-R422 HydrophobicContact CZ-CG 4.44Å; D130-R422 IonicContact OD1-CZ 3.18Å; D130-R422 IonicContact OD1-NH1 3.28Å; D130-R422 PolarHBondContact OD1-NH1 3.29Å; D130-R422 IonicContact OD1-NH2 3.31Å; D130-R422 PolarHBondContact OD1-NH2 3.34Å; D130-R422 IonicContact OD2-CZ 2.9Å; D130-R422 IonicContact OD2-NE 3.05Å; D130-R422 PolarHBondContact OD2-NE 3.38Å; D130-R422 IonicContact OD2-NH1 3.43Å; D130-R422 PolarHBondContact OD2-NH1 3.26Å; D130-R422 IonicContact OD2-NH2 3.53Å; D130-R422 PolarHBondContact OD2-NH2 3.25Å; E418-R422 WeakPolarHBondContact O-CB 3.48Å; E418-R422 PolarHBondContact O-N 3.2Å; L419-R422 PolarHBondContact O-N 2.93Å; K420-R422 VanDerWaalsContact C-N 3.35Å; R422-A424 VanDerWaalsContact C-N 3.31Å; R422-A424 PolarHBondContact O-N 3.23Å; R422-R425 PolarHBondContact O-N 3.5Å; R422-Y426 PolarHBondContact O-N 3.46Å
423S64.8Low63.7Low50 Ų5081.5 Ų81.535%0.3540%0.402SS..Hα-helixtrans-58.7-411751790000112.4L419 K420 S427L419-S423 PolarHBondContact O-N 2.92Å; K420-S423 PolarHBondContact O-N 2.79Å; S423-S427 PolarHBondContact O-N 2.96Å; S423-S427 VanDerWaalsContact O-N 3.08Å
424A65.8Low62.2Low50 Ų5087.5 Ų87.541%0.41343%0.425SS..Hα-helixtrans-70.2-39.9179.500000113.3K420 F421 R422 S427 R428K420-A424 WeakPolarHBondContact O-CB 3.17Å; K420-A424 PolarHBondContact O-N 3.49Å; F421-A424 PolarHBondContact O-N 3.47Å; R422-A424 VanDerWaalsContact C-N 3.31Å; R422-A424 PolarHBondContact O-N 3.23Å; A424-S427 PolarHBondContact O-N 2.93Å; A424-R428 PolarHBondContact O-N 3.29Å; A424-R428 VanDerWaalsContact O-N 3.11Å
425R62.2Low60.8Low145 Ų14589.7 Ų89.755%0.54744%0.439SS..Hα-helixtrans-63.9-43.2175.5-80-165.6-113.4164.7-2.2111.5F421 R422 S427 R428 S429F421-R425 PolarHBondContact O-N 3.1Å; R422-R425 PolarHBondContact O-N 3.5Å; R425-S427 VanDerWaalsContact C-N 3.32Å; R425-S427 PolarHBondContact O-N 2.82Å; R425-R428 PolarHBondContact O-N 2.85Å; R425-R428 VanDerWaalsContact O-N 3.13Å; R425-S429 PolarHBondContact O-N 3Å; R425-S429 PolarHBondContact O-OG 3.45Å
426Y55.2Low59Low88 Ų8899 Ų9935%0.34549%0.489SS..Hα-helixtrans-63.4-39.4177.5-150.7-87.5000111.9E163 R422 R428 S429 L430E163-Y426 PolarHBondContact OE1-OH 2.76Å; E163-Y426 WeakPolarHBondContact OE2-CE1 3.41Å; R422-Y426 PolarHBondContact O-N 3.46Å; Y426-R428 VanDerWaalsContact C-N 3.3Å; Y426-R428 PolarHBondContact O-N 3.18Å; Y426-S429 WeakPolarHBondContact CA-OG 3.37Å; Y426-S429 PolarHBondContact O-N 2.9Å; Y426-S429 PolarHBondContact O-OG 2.93Å; Y426-L430 HydrophobicContact CD1-CD1 4.23Å; Y426-L430 HydrophobicContact CE1-CD1 4Å; Y426-L430 PolarHBondContact O-N 3.06Å
427S56.1Low58.1Low74 Ų7499.5 Ų99.552%0.51750%0.496SS..Hα-helixtrans-61.9-37.3173.5-171.10000112.5S423 A424 R425 L430 S431S423-S427 PolarHBondContact O-N 2.96Å; S423-S427 VanDerWaalsContact O-N 3.08Å; A424-S427 PolarHBondContact O-N 2.93Å; R425-S427 VanDerWaalsContact C-N 3.32Å; R425-S427 PolarHBondContact O-N 2.82Å; S427-L430 WeakPolarHBondContact O-CB 3.4Å; S427-L430 PolarHBondContact O-N 2.58Å; S427-S431 PolarHBondContact O-N 3.39Å; S427-S431 VanDerWaalsContact O-N 3.15Å; S427-S431 PolarHBondContact O-OG 3.1Å
428R56.1Low57.4Low200 Ų20099.7 Ų99.776%0.75550%0.499SS*.Hα-helixtrans-72-40.6178-77.8-178.5170.1174.7-3113A424 R425 Y426 L430 S431 A432A424-R428 PolarHBondContact O-N 3.29Å; A424-R428 VanDerWaalsContact O-N 3.11Å; R425-R428 PolarHBondContact O-N 2.85Å; R425-R428 VanDerWaalsContact O-N 3.13Å; Y426-R428 VanDerWaalsContact C-N 3.3Å; Y426-R428 PolarHBondContact O-N 3.18Å; R428-L430 PolarHBondContact O-N 2.89Å; R428-S431 PolarHBondContact O-N 2.91Å; R428-A432 PolarHBondContact O-N 3.33Å; R428-A432 VanDerWaalsContact O-N 3.11Å
429S51.4Low56.6Low61 Ų61101 Ų10143%0.42751%0.507SS..Hα-helixtrans-63.1-35.5173.956.70000111.3R425 Y426 A432 E433R425-S429 PolarHBondContact O-N 3Å; R425-S429 PolarHBondContact O-OG 3.45Å; Y426-S429 WeakPolarHBondContact CA-OG 3.37Å; Y426-S429 PolarHBondContact O-N 2.9Å; Y426-S429 PolarHBondContact O-OG 2.93Å; S429-A432 PolarHBondContact O-N 3.29Å; S429-E433 PolarHBondContact O-N 3.28Å
430L51.3Low55.9Low28 Ų28104.8 Ų104.815%0.14753%0.525CS..Hα-helixtrans-62.6-47174.2-132.593.2000111.8S166 Y426 S427 R428 A432 E433 F434S166-L430 WeakPolarHBondContact O-CD2 3.32Å; Y426-L430 HydrophobicContact CD1-CD1 4.23Å; Y426-L430 HydrophobicContact CE1-CD1 4Å; Y426-L430 PolarHBondContact O-N 3.06Å; S427-L430 WeakPolarHBondContact O-CB 3.4Å; S427-L430 PolarHBondContact O-N 2.58Å; R428-L430 PolarHBondContact O-N 2.89Å; L430-A432 PolarHBondContact O-N 2.99Å; L430-E433 PolarHBondContact O-N 3.5Å; L430-F434 HydrophobicContact CD2-CD2 4.37Å; L430-F434 HydrophobicContact CD2-CE2 3.99Å; L430-F434 HydrophobicContact CG-CD2 4.38Å; L430-F434 HydrophobicContact CG-CE2 4.27Å; L430-F434 WeakPolarHBondContact O-CD2 3.31Å; L430-F434 PolarHBondContact O-N 3.17Å
431S52.1Low54.8Low68 Ų68103.8 Ų103.848%0.47653%0.525SS..Hα-helixtrans-60-34.7176.5-59.40000112.3S427 R428 L435S427-S431 PolarHBondContact O-N 3.39Å; S427-S431 VanDerWaalsContact O-N 3.15Å; S427-S431 PolarHBondContact O-OG 3.1Å; R428-S431 PolarHBondContact O-N 2.91Å; S431-L435 WeakPolarHBondContact O-CB 3.47Å; S431-L435 WeakPolarHBondContact O-CD1 3.47Å; S431-L435 VanDerWaalsContact O-CG 3.28Å; S431-L435 WeakPolarHBondContact O-CG 3.45Å; S431-L435 PolarHBondContact O-N 2.67Å
432A48Very low53.8Low52 Ų52102.2 Ų102.243%0.4352%0.523SS..Hα-helixtrans-72.7-37.6175.800000113R428 S429 L430 F434 L435 N436R428-A432 PolarHBondContact O-N 3.33Å; R428-A432 VanDerWaalsContact O-N 3.11Å; S429-A432 PolarHBondContact O-N 3.29Å; L430-A432 PolarHBondContact O-N 2.99Å; A432-F434 VanDerWaalsContact C-N 3.3Å; A432-F434 PolarHBondContact O-N 2.99Å; A432-L435 PolarHBondContact O-N 3.2Å; A432-N436 PolarHBondContact O-N 3.35Å
433E50.2Low53Low117 Ų117103.2 Ų103.255%0.54754%0.537SS..Hα-helixtrans-67.4-26.4173.9-100.3-172.8174.700113.2R159 S429 L430R159-E433 IonicContact CZ-OE2 2.82Å; R159-E433 IonicContact NH1-OE2 3.76Å; R159-E433 PolarHBondContact NH1-OE2 2.81Å; R159-E433 IonicContact NH2-OE2 3.57Å; S429-E433 PolarHBondContact O-N 3.28Å; L430-E433 PolarHBondContact O-N 3.5Å
434F47.9Very low52.1Low168 Ų168107.3 Ų107.374%0.73755%0.551SS**Hα-helixtrans-88.1-17.2177.6-89.8-76.9000113.9L430 A432L430-F434 HydrophobicContact CD2-CD2 4.37Å; L430-F434 HydrophobicContact CD2-CE2 3.99Å; L430-F434 HydrophobicContact CG-CD2 4.38Å; L430-F434 HydrophobicContact CG-CE2 4.27Å; L430-F434 WeakPolarHBondContact O-CD2 3.31Å; L430-F434 PolarHBondContact O-N 3.17Å; A432-F434 VanDerWaalsContact C-N 3.3Å; A432-F434 PolarHBondContact O-N 2.99Å
435L45Very low50.9Low148 Ų148112.1 Ų112.178%0.77556%0.562SS**Hα-helixtrans-94.8-11.8179-76.4168.8000113.3S431 A432S431-L435 WeakPolarHBondContact O-CB 3.47Å; S431-L435 WeakPolarHBondContact O-CD1 3.47Å; S431-L435 VanDerWaalsContact O-CG 3.28Å; S431-L435 WeakPolarHBondContact O-CG 3.45Å; S431-L435 PolarHBondContact O-N 2.67Å; A432-L435 PolarHBondContact O-N 3.2Å
436N35.9Very low49.9Very low196 Ų196109.1 Ų109.1100%1.04856%0.564SS**  trans-105.80169.4-72.7-19.4000110.1A432A432-N436 PolarHBondContact O-N 3.35Å

Retrieved 436 of 436 residues in 101.2 ms (Link to these results)

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