A0A087X6J7_POEFO Loading...

Phosphate transporter

Sodium-phosphate symporter.

AlphaFold DB , UniProt , Accession A0A087X6J7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 595 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
1M57.9Low82.2Confident136 Ų13686.1 Ų86.167%0.6743%0.425SS*.  01270-167.4-176.3-67.800105.5L3 V84 P85M1-L3 VanDerWaalsContact C-N 3.3Å; M1-L3 PolarHBondContact O-N 3.22Å; M1-V84 HydrophobicContact CE-CB 4.34Å; M1-V84 HydrophobicContact CE-CG2 3.92Å; M1-V84 HydrophobicContact SD-CB 4.17Å; M1-V84 HydrophobicContact SD-CG2 4.36Å; M1-P85 HydrophobicContact SD-CG 4.14Å
2D65.1Low83.4Confident137 Ų13784.7 Ų84.773%0.73342%0.419SS*.  trans-79.880.5-168.1-64.1-11.8000111E4 S5D2-E4 PolarHBondContact O-N 3.19Å; D2-S5 PolarHBondContact O-N 2.9Å
3L71.8Confident84.3Confident22 Ų2278.2 Ų78.212%0.11539%0.387CS..G310 helixtrans-66.7-17.1-173.9-78.7140000113.9M1 S5 Y6 L7 M88 Y546M1-L3 VanDerWaalsContact C-N 3.3Å; M1-L3 PolarHBondContact O-N 3.22Å; L3-S5 PolarHBondContact O-N 3.43Å; L3-S5 VanDerWaalsContact O-N 3.16Å; L3-Y6 WeakPolarHBondContact O-CA 3.32Å; L3-Y6 WeakPolarHBondContact O-CB 3.48Å; L3-Y6 PolarHBondContact O-N 2.61Å; L3-L7 PolarHBondContact O-N 3.43Å; L3-M88 HydrophobicContact CD2-SD 3.82Å; L3-Y546 HydrophobicContact CB-CD2 4.25Å; L3-Y546 HydrophobicContact CB-CE2 4.26Å; L3-Y546 WeakPolarHBondContact O-CE2 3.32Å
4E75.4Confident85.2Confident171 Ų17174.9 Ų74.980%0.79937%0.369SS*.G310 helixtrans-53.4-35.4172.5-63.4-164.2159.400112.4D2 Y6 L7D2-E4 PolarHBondContact O-N 3.19Å; E4-Y6 PolarHBondContact O-N 3.05Å; E4-Y6 VanDerWaalsContact O-N 3.09Å; E4-L7 WeakPolarHBondContact O-CB 3.46Å; E4-L7 PolarHBondContact O-N 2.93Å
5S82.8Confident86Confident83 Ų8376.4 Ų76.458%0.5838%0.378SS*.G310 helixtrans-64.1-13.6175.5-61.20000113.9D2 L3 W8D2-S5 PolarHBondContact O-N 2.9Å; L3-S5 PolarHBondContact O-N 3.43Å; L3-S5 VanDerWaalsContact O-N 3.16Å; S5-W8 PolarHBondContact O-NE1 3.4Å
6Y86.2Confident86.7Confident73 Ų7373.4 Ų73.429%0.28636%0.363SS..G310 helixtrans-112.43.4-178.6-59.9-74.2000113.3L3 E4 W8 M9 P85L3-Y6 WeakPolarHBondContact O-CA 3.32Å; L3-Y6 WeakPolarHBondContact O-CB 3.48Å; L3-Y6 PolarHBondContact O-N 2.61Å; E4-Y6 PolarHBondContact O-N 3.05Å; E4-Y6 VanDerWaalsContact O-N 3.09Å; Y6-W8 PolarHBondContact O-N 3.15Å; Y6-W8 VanDerWaalsContact O-N 3.12Å; Y6-M9 HydrophobicContact CD1-CE 3.69Å; Y6-M9 HydrophobicContact CD1-SD 3.92Å; Y6-M9 HydrophobicContact CE1-CE 4.12Å; Y6-M9 WeakPolarHBondContact O-CB 3.22Å; Y6-M9 PolarHBondContact O-N 2.89Å; Y6-P85 HydrophobicContact CD1-CB 4.19Å; Y6-P85 HydrophobicContact CE1-CB 3.67Å; Y6-P85 HydrophobicContact CE1-CG 4.13Å; Y6-P85 HydrophobicContact CE2-CB 4.31Å; Y6-P85 HydrophobicContact CE2-CG 3.88Å
7L90.1Very high87.2Confident74 Ų7469.1 Ų69.139%0.38734%0.342SS..Hα-helixtrans-54-32.5175174.760.9000112.6L3 E4 M9 V10 I11 Y546L3-L7 PolarHBondContact O-N 3.43Å; E4-L7 WeakPolarHBondContact O-CB 3.46Å; E4-L7 PolarHBondContact O-N 2.93Å; L7-M9 VanDerWaalsContact C-N 3.27Å; L7-M9 PolarHBondContact O-N 3.1Å; L7-V10 WeakPolarHBondContact O-CB 3.25Å; L7-V10 PolarHBondContact O-N 3.22Å; L7-V10 VanDerWaalsContact O-N 3.12Å; L7-I11 HydrophobicContact CD1-CD1 4.38Å; L7-I11 HydrophobicContact CD1-CG1 4.34Å; L7-I11 HydrophobicContact CD2-CD1 4.49Å; L7-I11 HydrophobicContact CG-CD1 3.97Å; L7-I11 HydrophobicContact CG-CG1 4.4Å; L7-I11 WeakPolarHBondContact O-CG1 3.48Å; L7-I11 PolarHBondContact O-N 3.31Å; L7-Y546 HydrophobicContact CB-CE2 4.11Å; L7-Y546 HydrophobicContact CD1-CE1 4.37Å; L7-Y546 HydrophobicContact CD1-CE2 4.39Å
8W92.7Very high87.7Confident138 Ų13868.7 Ų68.752%0.52334%0.338SS..Hα-helixtrans-61-33.9175.970.1-94.1000112.9S5 Y6 V10 I11 I12S5-W8 PolarHBondContact O-NE1 3.4Å; Y6-W8 PolarHBondContact O-N 3.15Å; Y6-W8 VanDerWaalsContact O-N 3.12Å; W8-V10 VanDerWaalsContact C-N 3.32Å; W8-I11 PolarHBondContact O-N 3.03Å; W8-I12 HydrophobicContact CE3-CD1 3.76Å; W8-I12 HydrophobicContact CZ3-CD1 4.03Å; W8-I12 WeakPolarHBondContact O-CB 3.2Å; W8-I12 WeakPolarHBondContact O-CG1 3.35Å; W8-I12 PolarHBondContact O-N 2.69Å
9M93.4Very high88.1Confident17 Ų1768.6 Ų68.68%0.08434%0.338CS..Hα-helixtrans-65.3-39.9175.4-64.7-177.6173.400110.6Y6 L7 G13 M88 A89 V92Y6-M9 HydrophobicContact CD1-CE 3.69Å; Y6-M9 HydrophobicContact CD1-SD 3.92Å; Y6-M9 HydrophobicContact CE1-CE 4.12Å; Y6-M9 WeakPolarHBondContact O-CB 3.22Å; Y6-M9 PolarHBondContact O-N 2.89Å; L7-M9 VanDerWaalsContact C-N 3.27Å; L7-M9 PolarHBondContact O-N 3.1Å; M9-G13 WeakPolarHBondContact O-CA 3.36Å; M9-G13 PolarHBondContact O-N 3.25Å; M9-M88 HydrophobicContact SD-CB 3.87Å; M9-A89 HydrophobicContact CE-CB 4.22Å; M9-V92 HydrophobicContact CB-CG2 4.45Å
10V93.9Very high88.5Confident4 Ų465.2 Ų65.22%0.02432%0.321CS..Hα-helixtrans-64.7-48.4177.1-178.40000110.3L7 W8 I12 G13 F14 M88 L542 W543 Y546L7-V10 WeakPolarHBondContact O-CB 3.25Å; L7-V10 PolarHBondContact O-N 3.22Å; L7-V10 VanDerWaalsContact O-N 3.12Å; W8-V10 VanDerWaalsContact C-N 3.32Å; V10-I12 PolarHBondContact O-N 3.23Å; V10-G13 CarbonylContact O-C 3.56Å; V10-G13 WeakPolarHBondContact O-CA 3.32Å; V10-G13 PolarHBondContact O-N 3.22Å; V10-G13 VanDerWaalsContact O-N 3.09Å; V10-F14 HydrophobicContact CG1-CD2 3.92Å; V10-F14 HydrophobicContact CG1-CE2 3.62Å; V10-F14 VanDerWaalsContact O-CD2 3.26Å; V10-F14 WeakPolarHBondContact O-CD2 3.48Å; V10-F14 PolarHBondContact O-N 2.92Å; V10-M88 HydrophobicContact CG2-CE 3.94Å; V10-L542 HydrophobicContact CG2-CG 4.39Å; V10-W543 HydrophobicContact CG1-CE3 4.03Å; V10-W543 HydrophobicContact CG1-CZ3 4.34Å; V10-Y546 HydrophobicContact CG2-CD1 4.25Å; V10-Y546 HydrophobicContact CG2-CD2 3.64Å; V10-Y546 HydrophobicContact CG2-CE2 4.32Å; V10-Y546 HydrophobicContact CG2-CG 3.61Å
11I95.1Very high88.8Confident92 Ų9262 Ų6247%0.47231%0.306SS..Hα-helixtrans-58.7-47.3178-65.7168.1000111.3L7 W8 G13 F14 I15L7-I11 HydrophobicContact CD1-CD1 4.38Å; L7-I11 HydrophobicContact CD1-CG1 4.34Å; L7-I11 HydrophobicContact CD2-CD1 4.49Å; L7-I11 HydrophobicContact CG-CD1 3.97Å; L7-I11 HydrophobicContact CG-CG1 4.4Å; L7-I11 WeakPolarHBondContact O-CG1 3.48Å; L7-I11 PolarHBondContact O-N 3.31Å; W8-I11 PolarHBondContact O-N 3.03Å; I11-G13 VanDerWaalsContact C-N 3.32Å; I11-F14 PolarHBondContact O-N 3.06Å; I11-I15 HydrophobicContact CG2-CD1 4.28Å; I11-I15 WeakPolarHBondContact O-CG1 3.37Å; I11-I15 PolarHBondContact O-N 3.35Å
12I96Very high90.5Very high69 Ų6957.1 Ų57.135%0.35428%0.281SS..Hα-helixtrans-63.2-41.2174.7-69.4-177.2000110.5W8 V10 F14 I15 I16 V92W8-I12 HydrophobicContact CE3-CD1 3.76Å; W8-I12 HydrophobicContact CZ3-CD1 4.03Å; W8-I12 WeakPolarHBondContact O-CB 3.2Å; W8-I12 WeakPolarHBondContact O-CG1 3.35Å; W8-I12 PolarHBondContact O-N 2.69Å; V10-I12 PolarHBondContact O-N 3.23Å; I12-F14 PolarHBondContact O-N 3.19Å; I12-I15 PolarHBondContact O-N 3.29Å; I12-I16 HydrophobicContact CG2-CD1 3.51Å; I12-I16 HydrophobicContact CG2-CG1 4.05Å; I12-I16 WeakPolarHBondContact O-CG1 3.27Å; I12-I16 PolarHBondContact O-N 2.93Å; I12-V92 HydrophobicContact CG2-CG1 4.13Å
13G96.1Very high91.7Very high0 Ų050.6 Ų50.60%025%0.246CC..Hα-helixtrans-53.6-4817500000112.6M9 V10 I11 I16 A17M9-G13 WeakPolarHBondContact O-CA 3.36Å; M9-G13 PolarHBondContact O-N 3.25Å; V10-G13 CarbonylContact O-C 3.56Å; V10-G13 WeakPolarHBondContact O-CA 3.32Å; V10-G13 PolarHBondContact O-N 3.22Å; V10-G13 VanDerWaalsContact O-N 3.09Å; I11-G13 VanDerWaalsContact C-N 3.32Å; G13-I16 PolarHBondContact O-N 3.03Å; G13-A17 WeakPolarHBondContact O-CB 3.22Å; G13-A17 PolarHBondContact O-N 3.18Å
14F96.5Very high92.6Very high33 Ų3349.5 Ų49.515%0.14524%0.241CC..Hα-helixtrans-57.6-50.3174.6-85.5-80000112.1V10 I11 I12 I16 A17 F18 L539 W543 W560 L561 Y564V10-F14 HydrophobicContact CG1-CD2 3.92Å; V10-F14 HydrophobicContact CG1-CE2 3.62Å; V10-F14 VanDerWaalsContact O-CD2 3.26Å; V10-F14 WeakPolarHBondContact O-CD2 3.48Å; V10-F14 PolarHBondContact O-N 2.92Å; I11-F14 PolarHBondContact O-N 3.06Å; I12-F14 PolarHBondContact O-N 3.19Å; F14-I16 VanDerWaalsContact C-N 3.33Å; F14-I16 PolarHBondContact O-N 3.33Å; F14-A17 PolarHBondContact O-N 3.39Å; F14-F18 PolarHBondContact O-N 2.9Å; F14-L539 HydrophobicContact CD1-CD1 4.13Å; F14-L539 HydrophobicContact CD1-CD2 3.75Å; F14-L539 HydrophobicContact CD1-CG 4.47Å; F14-L539 HydrophobicContact CD2-CD1 4.09Å; F14-L539 HydrophobicContact CE1-CD1 4.28Å; F14-L539 HydrophobicContact CE1-CD2 3.75Å; F14-L539 HydrophobicContact CE1-CG 4.34Å; F14-L539 HydrophobicContact CE2-CD1 4.22Å; F14-L539 HydrophobicContact CG-CD1 4Å; F14-L539 HydrophobicContact CG-CD2 4.42Å; F14-L539 HydrophobicContact CZ-CD1 4.29Å; F14-L539 HydrophobicContact CZ-CD2 4.41Å; F14-W543 AromaticContact CE2-CE3 3.71Å; F14-W543 HydrophobicContact CE2-CE3 3.71Å; F14-W543 HydrophobicContact CE2-CZ3 4.03Å; F14-W543 AromaticContact CZ-CE3 3.78Å; F14-W543 HydrophobicContact CZ-CE3 3.78Å; F14-W543 HydrophobicContact CZ-CZ3 4.2Å; F14-W560 AromaticContact CE1-CH2 3.76Å; F14-W560 HydrophobicContact CE1-CH2 3.76Å; F14-W560 AromaticContact CE1-CZ3 3.71Å; F14-W560 HydrophobicContact CE1-CZ3 3.71Å; F14-W560 AromaticContact CZ-CH2 3.52Å; F14-W560 HydrophobicContact CZ-CH2 3.52Å; F14-W560 AromaticContact CZ-CZ3 4Å; F14-W560 HydrophobicContact CZ-CZ3 4Å; F14-L561 HydrophobicContact CE1-CD2 3.44Å; F14-L561 VanDerWaalsContact CE1-CD2 3.44Å; F14-L561 HydrophobicContact CZ-CD2 3.67Å; F14-Y564 HydrophobicContact CD1-CD1 4.3Å; F14-Y564 AromaticContact CD1-CE1 3.77Å; F14-Y564 HydrophobicContact CD1-CE1 3.77Å; F14-Y564 HydrophobicContact CD1-CE2 4.49Å; F14-Y564 AromaticContact CD1-CZ 3.86Å; F14-Y564 HydrophobicContact CE1-CE1 4.5Å; F14-Y564 PolarHBondContact O-OH 3.02Å
15I96.7Very high93.3Very high97 Ų9741.4 Ų41.450%0.49720%0.203SC..Hα-helixtrans-58.6-46.4-179.2-64.7165.6000110.7I11 I12 F18 I19I11-I15 HydrophobicContact CG2-CD1 4.28Å; I11-I15 WeakPolarHBondContact O-CG1 3.37Å; I11-I15 PolarHBondContact O-N 3.35Å; I12-I15 PolarHBondContact O-N 3.29Å; I15-F18 PolarHBondContact O-N 3.33Å; I15-I19 HydrophobicContact CG2-CD1 4.12Å; I15-I19 WeakPolarHBondContact O-CG1 3.29Å; I15-I19 PolarHBondContact O-N 2.86Å; I15-I19 VanDerWaalsContact O-N 3.1Å
16I96.8Very high93.6Very high28 Ų2837.5 Ų37.514%0.14418%0.176CC..Hα-helixtrans-73.8-36.6-177.4-61.3-176.4000111.3I12 G13 F14 F18 I19 L20 V92 M95 V96 A99I12-I16 HydrophobicContact CG2-CD1 3.51Å; I12-I16 HydrophobicContact CG2-CG1 4.05Å; I12-I16 WeakPolarHBondContact O-CG1 3.27Å; I12-I16 PolarHBondContact O-N 2.93Å; G13-I16 PolarHBondContact O-N 3.03Å; F14-I16 VanDerWaalsContact C-N 3.33Å; F14-I16 PolarHBondContact O-N 3.33Å; I16-F18 VanDerWaalsContact C-N 3.28Å; I16-F18 PolarHBondContact O-N 2.89Å; I16-I19 PolarHBondContact O-N 3.38Å; I16-L20 WeakPolarHBondContact O-CB 3.31Å; I16-L20 PolarHBondContact O-N 3Å; I16-V92 HydrophobicContact CD1-CG1 4.44Å; I16-M95 HydrophobicContact CG2-CB 3.83Å; I16-V96 HydrophobicContact CD1-CG2 3.46Å; I16-V96 VanDerWaalsContact CD1-CG2 3.46Å; I16-V96 HydrophobicContact CG2-CG2 4.23Å; I16-A99 HydrophobicContact CG2-CB 4.42Å
17A96.1Very high93.4Very high0 Ų034.3 Ų34.30%016%0.163CC..Hα-helixtrans-61.7-35.9172.300000112.2G13 F14 L20 A21 M95 I536 L539G13-A17 WeakPolarHBondContact O-CB 3.22Å; G13-A17 PolarHBondContact O-N 3.18Å; F14-A17 PolarHBondContact O-N 3.39Å; A17-L20 PolarHBondContact O-N 2.79Å; A17-A21 VanDerWaalsContact O-CB 3.26Å; A17-A21 WeakPolarHBondContact O-CB 3.41Å; A17-A21 PolarHBondContact O-N 3.09Å; A17-M95 HydrophobicContact CB-SD 3.74Å; A17-I536 HydrophobicContact CB-CD1 4.01Å; A17-L539 HydrophobicContact CB-CB 3.87Å; A17-L539 HydrophobicContact CB-CD1 4.19Å; A17-L539 HydrophobicContact CB-CD2 3.71Å; A17-L539 HydrophobicContact CB-CG 4.13Å
18F96.3Very high93.1Very high62 Ų6231.3 Ų31.327%0.27215%0.148SC..Hα-helixtrans-67.5-41.9172.8-167.9-89.1000112.1F14 I15 I16 L20 A21 F22 Y564 V567 T571F14-F18 PolarHBondContact O-N 2.9Å; I15-F18 PolarHBondContact O-N 3.33Å; I16-F18 VanDerWaalsContact C-N 3.28Å; I16-F18 PolarHBondContact O-N 2.89Å; F18-L20 VanDerWaalsContact C-N 3.32Å; F18-A21 PolarHBondContact O-N 2.93Å; F18-F22 VanDerWaalsContact O-CB 3.27Å; F18-F22 WeakPolarHBondContact O-CB 3.42Å; F18-F22 PolarHBondContact O-N 2.93Å; F18-Y564 HydrophobicContact CB-CE1 4.28Å; F18-Y564 HydrophobicContact CD2-CE1 4.37Å; F18-Y564 HydrophobicContact CD2-CE2 4.05Å; F18-Y564 AromaticContact CD2-CZ 3.9Å; F18-V567 HydrophobicContact CE2-CG1 4.36Å; F18-T571 HydrophobicContact CE1-CG2 4.46Å; F18-T571 HydrophobicContact CZ-CG2 4.39Å
19I95.3Very high92.2Very high67 Ų6724.8 Ų24.834%0.34412%0.123SC..Hα-helixtrans-63.8-39.7174.6-65.9165.4000110.6I15 I16 F22 S23 A99 L103I15-I19 HydrophobicContact CG2-CD1 4.12Å; I15-I19 WeakPolarHBondContact O-CG1 3.29Å; I15-I19 PolarHBondContact O-N 2.86Å; I15-I19 VanDerWaalsContact O-N 3.1Å; I16-I19 PolarHBondContact O-N 3.38Å; I19-F22 WeakPolarHBondContact O-CB 3.4Å; I19-F22 PolarHBondContact O-N 3.4Å; I19-S23 WeakPolarHBondContact O-CB 3.41Å; I19-S23 PolarHBondContact O-N 2.85Å; I19-S23 PolarHBondContact O-OG 3.39Å; I19-A99 HydrophobicContact CG2-CB 4.37Å; I19-L103 HydrophobicContact CG2-CD1 3.79Å; I19-L103 HydrophobicContact CG2-CG 4.47Å
20L95Very high91.3Very high0 Ų024.1 Ų24.10%012%0.121CC..Hα-helixtrans-64.6-48.5175.2-177.754.4000111.1I16 A17 F18 F22 S23 V24 M95 A99 Q102 A535I16-L20 WeakPolarHBondContact O-CB 3.31Å; I16-L20 PolarHBondContact O-N 3Å; A17-L20 PolarHBondContact O-N 2.79Å; F18-L20 VanDerWaalsContact C-N 3.32Å; L20-F22 VanDerWaalsContact C-N 3.34Å; L20-F22 PolarHBondContact O-N 2.88Å; L20-S23 WeakPolarHBondContact O-CB 3.43Å; L20-S23 PolarHBondContact O-N 3.23Å; L20-V24 HydrophobicContact CD1-CG2 4.48Å; L20-V24 WeakPolarHBondContact O-CG2 3.49Å; L20-V24 PolarHBondContact O-N 3.47Å; L20-M95 HydrophobicContact CD2-CB 4.25Å; L20-M95 HydrophobicContact CD2-CG 4.18Å; L20-A99 HydrophobicContact CB-CB 4.08Å; L20-A99 HydrophobicContact CD1-CB 4.14Å; L20-Q102 VanDerWaalsContact CD1-NE2 3.32Å; L20-A535 HydrophobicContact CB-CB 4.44Å; L20-A535 HydrophobicContact CD2-CB 4.44Å; L20-A535 HydrophobicContact CG-CB 3.99Å
21A94.8Very high90.8Very high0 Ų027.2 Ų27.20%014%0.137CC..Hα-helixtrans-57.9-44.4175.100000111.9A17 F18 S23 V24 G25 A535 I569A17-A21 VanDerWaalsContact O-CB 3.26Å; A17-A21 WeakPolarHBondContact O-CB 3.41Å; A17-A21 PolarHBondContact O-N 3.09Å; F18-A21 PolarHBondContact O-N 2.93Å; A21-S23 VanDerWaalsContact C-N 3.3Å; A21-S23 PolarHBondContact O-N 2.83Å; A21-V24 PolarHBondContact O-N 3.09Å; A21-G25 PolarHBondContact O-N 3.24Å; A21-A535 HydrophobicContact CB-CB 3.81Å; A21-I569 HydrophobicContact CB-CG1 4.15Å; A21-I569 WeakPolarHBondContact O-CA 3.31Å; A21-I569 WeakPolarHBondContact O-CG1 3.17Å
22F93.9Very high90.3Very high32 Ų3223.1 Ų23.114%0.1412%0.117CC..Hα-helixtrans-58.2-40.8172.2175.8-78.9000112.1F18 I19 L20 A26 L103 G568 T571 G572 V575 W576F18-F22 VanDerWaalsContact O-CB 3.27Å; F18-F22 WeakPolarHBondContact O-CB 3.42Å; F18-F22 PolarHBondContact O-N 2.93Å; I19-F22 WeakPolarHBondContact O-CB 3.4Å; I19-F22 PolarHBondContact O-N 3.4Å; L20-F22 VanDerWaalsContact C-N 3.34Å; L20-F22 PolarHBondContact O-N 2.88Å; F22-A26 VanDerWaalsContact O-CB 3.31Å; F22-A26 WeakPolarHBondContact O-CB 3.25Å; F22-A26 PolarHBondContact O-N 3.46Å; F22-L103 HydrophobicContact CD1-CD2 4.48Å; F22-G568 WeakPolarHBondContact CA-O 3.33Å; F22-T571 HydrophobicContact CD2-CG2 3.89Å; F22-T571 HydrophobicContact CE2-CG2 4.11Å; F22-G572 VanDerWaalsContact CD2-N 3.31Å; F22-G572 WeakPolarHBondContact O-CA 3.45Å; F22-V575 HydrophobicContact CE2-CB 3.8Å; F22-V575 HydrophobicContact CE2-CG1 4.17Å; F22-V575 HydrophobicContact CE2-CG2 4.04Å; F22-V575 HydrophobicContact CZ-CB 3.84Å; F22-V575 HydrophobicContact CZ-CG1 3.83Å; F22-W576 HydrophobicContact CE1-CD2 4.1Å; F22-W576 AromaticContact CE1-CE3 3.97Å; F22-W576 HydrophobicContact CE1-CE3 3.97Å; F22-W576 HydrophobicContact CE1-CZ3 4.38Å; F22-W576 HydrophobicContact CZ-CD2 4.38Å; F22-W576 HydrophobicContact CZ-CG 4.44Å
23S91.4Very high89.9Confident0 Ų019.9 Ų19.90%010%0.1CC..Hα-helixtrans-69-42.3179.9-52.20000111.9I19 L20 A21 A26 N27 L103I19-S23 WeakPolarHBondContact O-CB 3.41Å; I19-S23 PolarHBondContact O-N 2.85Å; I19-S23 PolarHBondContact O-OG 3.39Å; L20-S23 WeakPolarHBondContact O-CB 3.43Å; L20-S23 PolarHBondContact O-N 3.23Å; A21-S23 VanDerWaalsContact C-N 3.3Å; A21-S23 PolarHBondContact O-N 2.83Å; S23-A26 PolarHBondContact O-N 3.4Å; S23-N27 PolarHBondContact O-N 3.45Å; S23-N27 PolarHBondContact O-ND2 2.84Å; S23-L103 WeakPolarHBondContact OG-CD2 3.38Å; S23-L103 VanDerWaalsContact OG-CG 3.27Å; S23-L103 WeakPolarHBondContact OG-CG 3.34Å
24V90.9Very high89.2Confident0 Ų020 Ų200%010%0.101CC..Hα-helixtrans-60.4-53174.6174.40000110.1L20 A21 A26 N27 D28 D531 A535L20-V24 HydrophobicContact CD1-CG2 4.48Å; L20-V24 WeakPolarHBondContact O-CG2 3.49Å; L20-V24 PolarHBondContact O-N 3.47Å; A21-V24 PolarHBondContact O-N 3.09Å; V24-A26 PolarHBondContact O-N 2.99Å; V24-N27 PolarHBondContact O-N 3.21Å; V24-D28 PolarHBondContact O-N 2.91Å; V24-D531 HydrophobicContact CG1-CB 3.54Å; V24-A535 HydrophobicContact CG2-CB 4.44Å
25G90.5Very high88.7Confident1 Ų121.5 Ų21.51%0.0111%0.113CC..Hα-helixtrans-65.1-22.3178.700000114.9A21 V29 L573A21-G25 PolarHBondContact O-N 3.24Å; G25-V29 VanDerWaalsContact O-CG2 3.24Å; G25-V29 WeakPolarHBondContact O-CG2 3.46Å; G25-L573 WeakPolarHBondContact O-CA 3.47Å; G25-L573 PolarHBondContact O-N 3.43Å
26A87.1Confident88.1Confident1 Ų116.9 Ų16.91%0.0089%0.09CC..Hα-helixtrans-73.7-27170.600000113.1F22 S23 V24 W576 G577 V580F22-A26 VanDerWaalsContact O-CB 3.31Å; F22-A26 WeakPolarHBondContact O-CB 3.25Å; F22-A26 PolarHBondContact O-N 3.46Å; S23-A26 PolarHBondContact O-N 3.4Å; V24-A26 PolarHBondContact O-N 2.99Å; A26-W576 HydrophobicContact CB-CB 3.74Å; A26-W576 HydrophobicContact CB-CE3 4.44Å; A26-G577 WeakPolarHBondContact O-CA 3.23Å; A26-V580 WeakPolarHBondContact O-CG2 3.34Å
27N83.6Confident87.6Confident5 Ų516.7 Ų16.73%0.0279%0.089CC..Hα-helixtrans-96.7-52.9-177.4-68.9-25.9000112.7S23 V24 S106S23-N27 PolarHBondContact O-N 3.45Å; S23-N27 PolarHBondContact O-ND2 2.84Å; V24-N27 PolarHBondContact O-N 3.21Å; N27-S106 PolarHBondContact ND2-OG 3.43Å; N27-S106 VanDerWaalsContact ND2-OG 3.07Å; N27-S106 VanDerWaalsContact OD1-CA 3.3Å; N27-S106 WeakPolarHBondContact OD1-CA 3.5Å; N27-S106 VanDerWaalsContact OD1-CB 3.3Å; N27-S106 WeakPolarHBondContact OD1-CB 3.32Å; N27-S106 PolarHBondContact OD1-OG 3.38Å
28D82.4Confident86.9Confident12 Ų1217.8 Ų17.86%0.06410%0.101CC..THydrogen-bonded Turntrans-87.4-16.8-158.2-74.9-40.6000115.1V24 A30 N31V24-D28 PolarHBondContact O-N 2.91Å; D28-A30 PolarHBondContact O-N 3.35Å; D28-A30 VanDerWaalsContact O-N 3.16Å; D28-N31 WeakPolarHBondContact CA-ND2 3.4Å; D28-N31 WeakPolarHBondContact O-CB 3.44Å; D28-N31 VanDerWaalsContact O-CG 3.31Å; D28-N31 PolarHBondContact O-N 3.49Å; D28-N31 PolarHBondContact O-ND2 2.86Å; D28-N31 VanDerWaalsContact O-ND2 3.1Å; D28-N31 PolarHBondContact OD1-ND2 2.84Å
29V74.5Confident86.2Confident0 Ų015.4 Ų15.40%09%0.092CC..Hα-helixtrans-57.3-33.9174.7176.30000112G25 N31 S32 F33 A51 E55 L573 I581G25-V29 VanDerWaalsContact O-CG2 3.24Å; G25-V29 WeakPolarHBondContact O-CG2 3.46Å; V29-N31 PolarHBondContact O-N 3.27Å; V29-S32 PolarHBondContact O-N 2.96Å; V29-F33 HydrophobicContact CG1-CD2 4.43Å; V29-F33 PolarHBondContact O-N 3.18Å; V29-A51 HydrophobicContact CG1-CB 3.85Å; V29-E55 WeakPolarHBondContact CG2-OE1 3.48Å; V29-E55 WeakPolarHBondContact CG2-OE2 3.46Å; V29-L573 HydrophobicContact CB-CD1 4.13Å; V29-L573 HydrophobicContact CG1-CD1 3.7Å; V29-L573 HydrophobicContact CG2-CB 3.98Å; V29-L573 HydrophobicContact CG2-CD1 3.88Å; V29-L573 HydrophobicContact CG2-CD2 4.16Å; V29-L573 HydrophobicContact CG2-CG 4.2Å; V29-I581 HydrophobicContact CG1-CD1 3.85Å; V29-I581 HydrophobicContact CG1-CG1 4.32Å
30A75Confident85.3Confident4 Ų415.1 Ų15.13%0.03311%0.106CC..Hα-helixtrans-64.1-23-179.500000112.5D28 S32 G34 V580 I581 M584D28-A30 PolarHBondContact O-N 3.35Å; D28-A30 VanDerWaalsContact O-N 3.16Å; A30-S32 VanDerWaalsContact C-N 3.3Å; A30-S32 PolarHBondContact O-N 3.24Å; A30-G34 VanDerWaalsContact O-CA 3.23Å; A30-G34 WeakPolarHBondContact O-CA 3.38Å; A30-G34 PolarHBondContact O-N 3.03Å; A30-V580 HydrophobicContact CB-CB 4.26Å; A30-V580 HydrophobicContact CB-CG1 3.73Å; A30-I581 HydrophobicContact CB-CG1 4.04Å; A30-M584 HydrophobicContact CB-CB 4.06Å; A30-M584 HydrophobicContact CB-CG 3.68Å
31N83.1Confident84.7Confident68 Ų6815.6 Ų15.636%0.36411%0.109SC..Hα-helixtrans-65.9-33172.8-55-36.3000111.9D28 V29D28-N31 WeakPolarHBondContact CA-ND2 3.4Å; D28-N31 WeakPolarHBondContact O-CB 3.44Å; D28-N31 VanDerWaalsContact O-CG 3.31Å; D28-N31 PolarHBondContact O-N 3.49Å; D28-N31 PolarHBondContact O-ND2 2.86Å; D28-N31 VanDerWaalsContact O-ND2 3.1Å; D28-N31 PolarHBondContact OD1-ND2 2.84Å; V29-N31 PolarHBondContact O-N 3.27Å
32S84.1Confident84.3Confident7 Ų716 Ų165%0.04911%0.111CC..Hα-helixtrans-94.6-42.4-176.5-64.50000113.6V29 A30 A520 S524 H527V29-S32 PolarHBondContact O-N 2.96Å; A30-S32 VanDerWaalsContact C-N 3.3Å; A30-S32 PolarHBondContact O-N 3.24Å; S32-A520 WeakPolarHBondContact O-CA 3.16Å; S32-A520 VanDerWaalsContact O-CB 3.26Å; S32-A520 WeakPolarHBondContact O-CB 3.27Å; S32-S524 WeakPolarHBondContact OG-CA 3.3Å; S32-S524 PolarHBondContact OG-N 3.33Å; S32-S524 VanDerWaalsContact OG-N 3.09Å; S32-H527 PolarHBondContact OG-CD2 2.9Å; S32-H527 VanDerWaalsContact OG-CD2 3.25Å
33F86.9Confident84Confident0 Ų018.3 Ų18.30%013%0.128CC..Hα-helixtrans-107.3-6.2-175.5-80.3-83.5000114.7V29 T35 A36 V37 A47 L50 A51 A520V29-F33 HydrophobicContact CG1-CD2 4.43Å; V29-F33 PolarHBondContact O-N 3.18Å; F33-T35 PolarHBondContact O-N 2.88Å; F33-A36 HydrophobicContact CD1-CB 4.49Å; F33-A36 PolarHBondContact O-N 3.37Å; F33-V37 WeakPolarHBondContact O-CG2 3.49Å; F33-V37 PolarHBondContact O-N 3.16Å; F33-A47 HydrophobicContact CB-CB 4.09Å; F33-A47 HydrophobicContact CD1-CB 3.86Å; F33-A47 HydrophobicContact CG-CB 4.09Å; F33-L50 HydrophobicContact CE1-CB 3.93Å; F33-L50 HydrophobicContact CE1-CD1 4.14Å; F33-L50 HydrophobicContact CE2-CB 4.44Å; F33-L50 HydrophobicContact CZ-CB 3.56Å; F33-A51 HydrophobicContact CD2-CB 3.72Å; F33-A51 HydrophobicContact CE2-CB 3.62Å; F33-A520 HydrophobicContact CD1-CB 3.74Å; F33-A520 HydrophobicContact CE1-CB 3.66Å; F33-A520 HydrophobicContact CG-CB 4.26Å; F33-A520 HydrophobicContact CZ-CB 4.12Å
34G83.1Confident83.7Confident2 Ų220.2 Ų20.22%0.02114%0.138CC..Hα-helixtrans-56.7-45.2-179.500000113.1A30 G38 G585A30-G34 VanDerWaalsContact O-CA 3.23Å; A30-G34 WeakPolarHBondContact O-CA 3.38Å; A30-G34 PolarHBondContact O-N 3.03Å; G34-G38 PolarHBondContact O-N 3.08Å; G34-G585 WeakPolarHBondContact O-CA 3.45Å
35T84.4Confident83.5Confident66 Ų6628.2 Ų28.241%0.40517%0.172SC..Hα-helixtrans-68.1-40.7179.265.70000112.4F33 V37 G38 S39 Q516 I591F33-T35 PolarHBondContact O-N 2.88Å; T35-V37 VanDerWaalsContact C-N 3.35Å; T35-V37 PolarHBondContact O-N 2.67Å; T35-G38 PolarHBondContact O-N 3.01Å; T35-S39 VanDerWaalsContact O-CB 3.31Å; T35-S39 WeakPolarHBondContact O-CB 3.32Å; T35-S39 PolarHBondContact O-N 3.05Å; T35-S39 PolarHBondContact O-OG 2.95Å; T35-Q516 VanDerWaalsContact C-NE2 3.27Å; T35-Q516 PolarHBondContact O-NE2 3.22Å; T35-Q516 VanDerWaalsContact O-NE2 3.13Å; T35-I591 HydrophobicContact CG2-CD1 4.08Å
36A85.9Confident83.5Confident0 Ų032.9 Ų32.90%019%0.194CC..Hα-helixtrans-71.2-27.7-179.700000113.2F33 S39 V41 V42 Q516 A520F33-A36 HydrophobicContact CD1-CB 4.49Å; F33-A36 PolarHBondContact O-N 3.37Å; A36-S39 PolarHBondContact O-OG 3.02Å; A36-V41 WeakPolarHBondContact O-CB 3.07Å; A36-V41 PolarHBondContact O-N 2.92Å; A36-V42 HydrophobicContact CB-CB 4.49Å; A36-V42 HydrophobicContact CB-CG2 3.99Å; A36-V42 PolarHBondContact O-N 2.83Å; A36-Q516 HydrophobicContact CB-CG 4.11Å; A36-A520 HydrophobicContact CB-CB 4.04Å
37V85.1Confident83.6Confident23 Ų2332.9 Ų32.914%0.13919%0.194CC..Hα-helixtrans-84.3-37.7172.3176.40000111.3F33 T35 G40 L44 A47 I581F33-V37 WeakPolarHBondContact O-CG2 3.49Å; F33-V37 PolarHBondContact O-N 3.16Å; T35-V37 VanDerWaalsContact C-N 3.35Å; T35-V37 PolarHBondContact O-N 2.67Å; V37-G40 PolarHBondContact O-N 3.17Å; V37-L44 HydrophobicContact CG1-CD1 4.34Å; V37-A47 HydrophobicContact CG2-CB 3.51Å; V37-I581 HydrophobicContact CB-CG2 3.84Å; V37-I581 HydrophobicContact CG1-CG2 3.96Å; V37-I581 HydrophobicContact CG2-CG2 3.85Å
38G81.1Confident83.9Confident24 Ų2432.9 Ų32.925%0.24719%0.194CC..Hα-helixtrans-62.2-45177.500000113.5G34 T35 G40 G585G34-G38 PolarHBondContact O-N 3.08Å; T35-G38 PolarHBondContact O-N 3.01Å; G38-G40 PolarHBondContact O-N 2.97Å; G38-G40 VanDerWaalsContact O-N 3.15Å; G38-G585 WeakPolarHBondContact CA-O 3.43Å
39S81.1Confident84.3Confident12 Ų1236.4 Ų36.48%0.08421%0.212CC..THydrogen-bonded Turntrans-71.21175.759.30000115.2T35 A36 V41 Q516 I591T35-S39 VanDerWaalsContact O-CB 3.31Å; T35-S39 WeakPolarHBondContact O-CB 3.32Å; T35-S39 PolarHBondContact O-N 3.05Å; T35-S39 PolarHBondContact O-OG 2.95Å; A36-S39 PolarHBondContact O-OG 3.02Å; S39-V41 PolarHBondContact O-N 3.42Å; S39-V41 WeakPolarHBondContact OG-CG2 3.33Å; S39-Q516 PolarHBondContact OG-NE2 2.93Å; S39-Q516 PolarHBondContact OG-OE1 2.85Å; S39-I591 WeakPolarHBondContact CA-O 3.26Å
40G78.1Confident85.1Confident61 Ų6138.7 Ų38.763%0.62922%0.224SC*.THydrogen-bonded Turntrans70.67.4-178.400000115.2V37 G38V37-G40 PolarHBondContact O-N 3.17Å; G38-G40 PolarHBondContact O-N 2.97Å; G38-G40 VanDerWaalsContact O-N 3.15Å
41V82.6Confident85.9Confident10 Ų1038.5 Ų38.56%0.06122%0.222CC..SBendtrans-69.8-39.6-178.9169.80000112A36 S39 H513 I517 P593A36-V41 WeakPolarHBondContact O-CB 3.07Å; A36-V41 PolarHBondContact O-N 2.92Å; S39-V41 PolarHBondContact O-N 3.42Å; S39-V41 WeakPolarHBondContact OG-CG2 3.33Å; V41-H513 HydrophobicContact CG1-CB 4.35Å; V41-H513 VanDerWaalsContact CG1-O 3.25Å; V41-H513 WeakPolarHBondContact CG1-O 3.37Å; V41-H513 HydrophobicContact CG2-CB 4.16Å; V41-H513 PolarHBondContact O-CE1 2.87Å; V41-H513 VanDerWaalsContact O-CE1 3.26Å; V41-I517 HydrophobicContact CG1-CD1 3.95Å; V41-I517 HydrophobicContact CG1-CG1 3.5Å; V41-I517 VanDerWaalsContact CG1-CG1 3.5Å; V41-P593 HydrophobicContact CG2-CB 3.94Å; V41-P593 HydrophobicContact CG2-CG 3.58Å
42V84.4Confident86.4Confident8 Ų836.1 Ų36.15%0.04821%0.211CC..SBendtrans-125.1131.2-177.8-170.90000110.1A36 Q46 A47 I517A36-V42 HydrophobicContact CB-CB 4.49Å; A36-V42 HydrophobicContact CB-CG2 3.99Å; A36-V42 PolarHBondContact O-N 2.83Å; V42-Q46 HydrophobicContact CG1-CB 3.55Å; V42-A47 HydrophobicContact CG1-CB 3.95Å; V42-I517 HydrophobicContact CG2-CD1 4.37Å; V42-I517 HydrophobicContact CG2-CG1 3.69Å
43T88.2Confident86.8Confident80 Ų8039.9 Ų39.949%0.49123%0.23SC..  trans-70.2150.1171.465.40000110.8K45 Q46 A47T43-K45 PolarHBondContact O-N 3.18Å; T43-K45 VanDerWaalsContact O-N 3.09Å; T43-Q46 WeakPolarHBondContact O-CB 3.37Å; T43-Q46 PolarHBondContact O-N 3.36Å; T43-Q46 VanDerWaalsContact OG1-CG 3.29Å; T43-Q46 WeakPolarHBondContact OG1-CG 3.32Å; T43-Q46 PolarHBondContact OG1-N 2.89Å; T43-Q46 PolarHBondContact OG1-OE1 3.49Å; T43-A47 PolarHBondContact O-N 3.49Å
44L84.9Confident87.1Confident41 Ų4142.4 Ų42.422%0.21524%0.241CC..Hα-helixtrans-52.9-37.4-179.5-168.762.7000113.3V37 A47 C48 R578 I581 Q582V37-L44 HydrophobicContact CG1-CD1 4.34Å; L44-A47 PolarHBondContact O-N 3.24Å; L44-C48 PolarHBondContact O-N 2.91Å; L44-C48 VanDerWaalsContact O-N 3.09Å; L44-C48 PolarHBondContact O-SG 3.27Å; L44-R578 HydrophobicContact CD2-CB 4Å; L44-R578 HydrophobicContact CG-CB 4.38Å; L44-I581 HydrophobicContact CD1-CB 3.93Å; L44-I581 HydrophobicContact CD1-CD1 4.07Å; L44-I581 HydrophobicContact CD1-CG2 3.64Å; L44-Q582 HydrophobicContact CD2-CG 4.21Å
45K87.6Confident87.5Confident167 Ų16742.3 Ų42.373%0.72624%0.24SC*.Hα-helixtrans-64.8-44.2175.4-68.9-178.9179.9174.40112.2T43 C48 I49T43-K45 PolarHBondContact O-N 3.18Å; T43-K45 VanDerWaalsContact O-N 3.09Å; K45-C48 PolarHBondContact O-N 3.31Å; K45-I49 WeakPolarHBondContact O-CG1 3.48Å; K45-I49 PolarHBondContact O-N 2.88Å
46Q90.1Very high87.9Confident100 Ų10040.2 Ų40.247%0.46723%0.227SC..Hα-helixtrans-66.8-39.9177.6-72.4162-34.200111.5V42 T43 I49 L50V42-Q46 HydrophobicContact CG1-CB 3.55Å; T43-Q46 WeakPolarHBondContact O-CB 3.37Å; T43-Q46 PolarHBondContact O-N 3.36Å; T43-Q46 VanDerWaalsContact OG1-CG 3.29Å; T43-Q46 WeakPolarHBondContact OG1-CG 3.32Å; T43-Q46 PolarHBondContact OG1-N 2.89Å; T43-Q46 PolarHBondContact OG1-OE1 3.49Å; Q46-I49 PolarHBondContact O-N 2.99Å; Q46-L50 WeakPolarHBondContact O-CG 3.5Å; Q46-L50 PolarHBondContact O-N 3.03Å
47A89Confident88.1Confident0 Ų043.8 Ų43.80%025%0.246CC..Hα-helixtrans-60-47175.900000111.3F33 V37 V42 T43 L44 I49 L50 A51F33-A47 HydrophobicContact CB-CB 4.09Å; F33-A47 HydrophobicContact CD1-CB 3.86Å; F33-A47 HydrophobicContact CG-CB 4.09Å; V37-A47 HydrophobicContact CG2-CB 3.51Å; V42-A47 HydrophobicContact CG1-CB 3.95Å; T43-A47 PolarHBondContact O-N 3.49Å; L44-A47 PolarHBondContact O-N 3.24Å; A47-I49 VanDerWaalsContact C-N 3.33Å; A47-I49 PolarHBondContact O-N 2.98Å; A47-L50 PolarHBondContact O-N 3.15Å; A47-A51 VanDerWaalsContact O-CB 3.23Å; A47-A51 WeakPolarHBondContact O-CB 3.3Å; A47-A51 PolarHBondContact O-N 3.42Å
48C89.5Confident88.4Confident5 Ų542.7 Ų42.73%0.03424%0.239CC..Hα-helixtrans-60.4-39.4175.7-64.40000113.1L44 K45 S52 L573 W574L44-C48 PolarHBondContact O-N 2.91Å; L44-C48 VanDerWaalsContact O-N 3.09Å; L44-C48 PolarHBondContact O-SG 3.27Å; K45-C48 PolarHBondContact O-N 3.31Å; C48-S52 WeakPolarHBondContact O-CB 3.27Å; C48-S52 PolarHBondContact O-N 3.04Å; C48-S52 PolarHBondContact O-OG 3.36Å; C48-L573 HydrophobicContact CB-CD1 4.14Å; C48-L573 HydrophobicContact CB-CG 4.39Å; C48-W574 HydrophobicContact CB-CD2 4.12Å; C48-W574 HydrophobicContact CB-CE3 4.31Å; C48-W574 HydrophobicContact CB-CH2 4.05Å; C48-W574 HydrophobicContact CB-CZ2 3.82Å; C48-W574 HydrophobicContact CB-CZ3 4.29Å
49I92.2Very high88.8Confident87 Ų8741.5 Ų41.545%0.44623%0.227SC..Hα-helixtrans-66.1-47.9177.7-66.5164.9000110.9K45 Q46 A47 S52 I53 W574K45-I49 WeakPolarHBondContact O-CG1 3.48Å; K45-I49 PolarHBondContact O-N 2.88Å; Q46-I49 PolarHBondContact O-N 2.99Å; A47-I49 VanDerWaalsContact C-N 3.33Å; A47-I49 PolarHBondContact O-N 2.98Å; I49-S52 PolarHBondContact O-N 3.27Å; I49-I53 HydrophobicContact CG2-CD1 4.24Å; I49-I53 WeakPolarHBondContact O-CG1 3.48Å; I49-I53 PolarHBondContact O-N 2.87Å; I49-W574 HydrophobicContact CG1-CH2 3.83Å; I49-W574 HydrophobicContact CG1-CZ2 3.73Å
50L91.6Very high89.2Confident47 Ų4743.6 Ų43.625%0.24624%0.237CC..Hα-helixtrans-64.9-47.1-180-69.2170.2000111.3F33 Q46 A47 S52 I53 F54 I517F33-L50 HydrophobicContact CE1-CB 3.93Å; F33-L50 HydrophobicContact CE1-CD1 4.14Å; F33-L50 HydrophobicContact CE2-CB 4.44Å; F33-L50 HydrophobicContact CZ-CB 3.56Å; Q46-L50 WeakPolarHBondContact O-CG 3.5Å; Q46-L50 PolarHBondContact O-N 3.03Å; A47-L50 PolarHBondContact O-N 3.15Å; L50-S52 VanDerWaalsContact C-N 3.34Å; L50-S52 PolarHBondContact O-N 2.98Å; L50-I53 PolarHBondContact O-N 3.36Å; L50-F54 HydrophobicContact CD2-CE2 4.36Å; L50-F54 WeakPolarHBondContact O-CD2 3.21Å; L50-F54 PolarHBondContact O-N 2.93Å; L50-I517 HydrophobicContact CD1-CG2 4.23Å
51A91.5Very high89.6Confident0 Ų043 Ų430%022%0.218CC..Hα-helixtrans-56.7-46.4175.700000111.7V29 F33 A47 I53 F54 E55 S524 L573V29-A51 HydrophobicContact CG1-CB 3.85Å; F33-A51 HydrophobicContact CD2-CB 3.72Å; F33-A51 HydrophobicContact CE2-CB 3.62Å; A47-A51 VanDerWaalsContact O-CB 3.23Å; A47-A51 WeakPolarHBondContact O-CB 3.3Å; A47-A51 PolarHBondContact O-N 3.42Å; A51-I53 VanDerWaalsContact C-N 3.25Å; A51-I53 PolarHBondContact O-N 3.3Å; A51-F54 PolarHBondContact O-N 3.22Å; A51-E55 WeakPolarHBondContact O-CB 3.38Å; A51-E55 PolarHBondContact O-N 3.4Å; A51-S524 WeakPolarHBondContact CA-OG 3.24Å; A51-L573 HydrophobicContact CB-CD2 3.6Å
52S92.4Very high89.7Confident19 Ų1943.4 Ų43.413%0.13322%0.22CC..Hα-helixtrans-56.2-39.7178.6-57.90000112.9C48 I49 L50 T56 C570 W574C48-S52 WeakPolarHBondContact O-CB 3.27Å; C48-S52 PolarHBondContact O-N 3.04Å; C48-S52 PolarHBondContact O-OG 3.36Å; I49-S52 PolarHBondContact O-N 3.27Å; L50-S52 VanDerWaalsContact C-N 3.34Å; L50-S52 PolarHBondContact O-N 2.98Å; S52-T56 VanDerWaalsContact O-CB 3.27Å; S52-T56 WeakPolarHBondContact O-CB 3.24Å; S52-T56 PolarHBondContact O-N 3.23Å; S52-T56 PolarHBondContact O-OG1 3.12Å; S52-C570 VanDerWaalsContact CA-SG 3.55Å; S52-C570 PolarHBondContact O-SG 2.92Å; S52-W574 PolarHBondContact OG-NE1 3.43Å
53I93.7Very high89.7Confident85 Ų8543 Ų4344%0.43622%0.218SC..Hα-helixtrans-71.5-53.1178.4-64.9165.6000110.2I49 L50 A51 T56 L57I49-I53 HydrophobicContact CG2-CD1 4.24Å; I49-I53 WeakPolarHBondContact O-CG1 3.48Å; I49-I53 PolarHBondContact O-N 2.87Å; L50-I53 PolarHBondContact O-N 3.36Å; A51-I53 VanDerWaalsContact C-N 3.25Å; A51-I53 PolarHBondContact O-N 3.3Å; I53-T56 PolarHBondContact O-N 3.4Å; I53-L57 HydrophobicContact CG2-CD1 3.89Å; I53-L57 WeakPolarHBondContact O-CB 3.42Å; I53-L57 VanDerWaalsContact O-CG 3.28Å; I53-L57 WeakPolarHBondContact O-CG 2.92Å; I53-L57 PolarHBondContact O-N 2.89Å
54F92.6Very high89.4Confident53 Ų5339.4 Ų39.423%0.23220%0.196CC..Hα-helixtrans-73.3-37.9-172-76.8-74.3000113.2L50 A51 L57 G58 C521 F525L50-F54 HydrophobicContact CD2-CE2 4.36Å; L50-F54 WeakPolarHBondContact O-CD2 3.21Å; L50-F54 PolarHBondContact O-N 2.93Å; A51-F54 PolarHBondContact O-N 3.22Å; F54-L57 PolarHBondContact O-N 3.35Å; F54-G58 PolarHBondContact O-N 3.35Å; F54-C521 WeakPolarHBondContact CB-O 3.48Å; F54-C521 HydrophobicContact CD1-CB 4.38Å; F54-C521 HydrophobicContact CD2-CB 3.59Å; F54-C521 HydrophobicContact CE1-CB 4.31Å; F54-C521 HydrophobicContact CE2-CB 3.51Å; F54-C521 VanDerWaalsContact CE2-SG 3.54Å; F54-C521 HydrophobicContact CG-CB 4.05Å; F54-C521 WeakPolarHBondContact CG-O 3.34Å; F54-C521 HydrophobicContact CZ-CB 3.89Å; F54-F525 HydrophobicContact CB-CB 4.29Å; F54-F525 HydrophobicContact CD1-CB 4.23Å; F54-F525 WeakPolarHBondContact O-CA 3.25Å
55E91.8Very high89.1Confident0 Ų042.1 Ų42.10%021%0.206CC..Hα-helixtrans-66.4-38.8173.3-85.4156.8-134.500112.5V29 A51 G58 S59 S524 I569V29-E55 WeakPolarHBondContact CG2-OE1 3.48Å; V29-E55 WeakPolarHBondContact CG2-OE2 3.46Å; A51-E55 WeakPolarHBondContact O-CB 3.38Å; A51-E55 PolarHBondContact O-N 3.4Å; E55-G58 PolarHBondContact O-N 3.22Å; E55-S59 WeakPolarHBondContact O-CB 3.39Å; E55-S59 PolarHBondContact O-N 3.5Å; E55-S524 VanDerWaalsContact CG-O 3.3Å; E55-S524 WeakPolarHBondContact CG-O 3.34Å; E55-S524 WeakPolarHBondContact CG-OG 3.32Å; E55-S524 PolarHBondContact OE1-OG 2.92Å; E55-I569 HydrophobicContact CB-CG2 4.39Å; E55-I569 WeakPolarHBondContact OE2-CG2 3.38Å
56T92.3Very high88.5Confident22 Ų2236.8 Ų36.814%0.13519%0.188CC..Hα-helixtrans-65.5-42.3175.6-58.80000111.4S52 I53 S59 M60 F563 C570S52-T56 VanDerWaalsContact O-CB 3.27Å; S52-T56 WeakPolarHBondContact O-CB 3.24Å; S52-T56 PolarHBondContact O-N 3.23Å; S52-T56 PolarHBondContact O-OG1 3.12Å; I53-T56 PolarHBondContact O-N 3.4Å; T56-S59 WeakPolarHBondContact O-CB 3.39Å; T56-M60 HydrophobicContact CG2-SD 4.27Å; T56-M60 WeakPolarHBondContact O-CG 3.21Å; T56-M60 PolarHBondContact O-N 3.31Å; T56-M60 VanDerWaalsContact O-N 3.11Å; T56-F563 HydrophobicContact CG2-CD2 3.94Å; T56-F563 HydrophobicContact CG2-CE2 4.03Å; T56-C570 PolarHBondContact OG1-SG 3.48Å
57L91.4Very high88.2Confident75 Ų7532.3 Ų32.339%0.39317%0.168SC..Hα-helixtrans-64.8-42.3174.7-71171.8000111.8I53 F54 M60 L61 F525I53-L57 HydrophobicContact CG2-CD1 3.89Å; I53-L57 WeakPolarHBondContact O-CB 3.42Å; I53-L57 VanDerWaalsContact O-CG 3.28Å; I53-L57 WeakPolarHBondContact O-CG 2.92Å; I53-L57 PolarHBondContact O-N 2.89Å; F54-L57 PolarHBondContact O-N 3.35Å; L57-M60 PolarHBondContact O-N 2.91Å; L57-L61 WeakPolarHBondContact O-CB 3.48Å; L57-L61 WeakPolarHBondContact O-CG 3.4Å; L57-L61 PolarHBondContact O-N 3.26Å; L57-F525 HydrophobicContact CB-CD2 4.02Å; L57-F525 HydrophobicContact CB-CE2 3.97Å
58G90Very high87.9Confident0 Ų034.9 Ų34.90%018%0.18CC..Hα-helixtrans-60.7-46.9176.500000112.3F54 E55 M60 L61 L62 F525 G529F54-G58 PolarHBondContact O-N 3.35Å; E55-G58 PolarHBondContact O-N 3.22Å; G58-M60 PolarHBondContact O-N 3.46Å; G58-L61 PolarHBondContact O-N 3.41Å; G58-L62 WeakPolarHBondContact O-CB 3.38Å; G58-L62 PolarHBondContact O-N 2.86Å; G58-F525 VanDerWaalsContact CA-CE2 3.46Å; G58-F525 WeakPolarHBondContact CA-O 3.47Å; G58-G529 WeakPolarHBondContact O-CA 3.43Å
59S90.2Very high87.5Confident0 Ų038 Ų380%020%0.199CC..Hα-helixtrans-52.4-54173.8160.10000111.8E55 T56 L61 G63 G528 V532 L562E55-S59 WeakPolarHBondContact O-CB 3.39Å; E55-S59 PolarHBondContact O-N 3.5Å; T56-S59 WeakPolarHBondContact O-CB 3.39Å; S59-L61 PolarHBondContact O-N 2.98Å; S59-G63 WeakPolarHBondContact O-CA 3.16Å; S59-G63 PolarHBondContact O-N 3.16Å; S59-G528 WeakPolarHBondContact CA-O 3.38Å; S59-V532 WeakPolarHBondContact OG-CB 3.39Å; S59-V532 WeakPolarHBondContact OG-CG1 3.41Å; S59-V532 WeakPolarHBondContact OG-CG2 3.26Å; S59-L562 PolarHBondContact OG-O 3.21Å
60M88.9Confident87.1Confident56 Ų5634.4 Ų34.428%0.27618%0.181SC..Hα-helixtrans-68.8-35.4-176.6-68.6175.370.400113.6T56 L57 G58 I559 F563T56-M60 HydrophobicContact CG2-SD 4.27Å; T56-M60 WeakPolarHBondContact O-CG 3.21Å; T56-M60 PolarHBondContact O-N 3.31Å; T56-M60 VanDerWaalsContact O-N 3.11Å; L57-M60 PolarHBondContact O-N 2.91Å; G58-M60 PolarHBondContact O-N 3.46Å; M60-I559 HydrophobicContact CE-CG2 3.78Å; M60-F563 HydrophobicContact CG-CB 4.32Å; M60-F563 HydrophobicContact SD-CB 4.32Å; M60-F563 HydrophobicContact SD-CD2 3.72Å; M60-F563 HydrophobicContact SD-CG 4.47Å
61L86.9Confident86.7Confident47 Ų4732.3 Ų32.325%0.24617%0.17CC..Hα-helixtrans-91.6-35.5-173-65.3-179.2000113.8L57 G58 S59 I198 G202 A203 F525L57-L61 WeakPolarHBondContact O-CB 3.48Å; L57-L61 WeakPolarHBondContact O-CG 3.4Å; L57-L61 PolarHBondContact O-N 3.26Å; G58-L61 PolarHBondContact O-N 3.41Å; S59-L61 PolarHBondContact O-N 2.98Å; L61-I198 HydrophobicContact CB-CG1 4.38Å; L61-I198 HydrophobicContact CB-CG2 4.44Å; L61-I198 HydrophobicContact CD1-CD1 4.18Å; L61-G202 WeakPolarHBondContact O-CA 3.32Å; L61-A203 PolarHBondContact O-N 3.31Å; L61-A203 VanDerWaalsContact O-N 3.12Å; L61-F525 HydrophobicContact CB-CE2 4.45Å; L61-F525 HydrophobicContact CB-CZ 4.15Å; L61-F525 HydrophobicContact CD1-CE2 4.03Å; L61-F525 HydrophobicContact CD1-CZ 4.06Å
62L84.7Confident86.1Confident20 Ų2034.9 Ų34.911%0.10518%0.181CC..Hα-helixtrans-111.3-22.2-175.6-63.3179.3000114G58 A64 I198 F525G58-L62 WeakPolarHBondContact O-CB 3.38Å; G58-L62 PolarHBondContact O-N 2.86Å; L62-A64 VanDerWaalsContact C-N 3.27Å; L62-A64 PolarHBondContact O-N 3.26Å; L62-I198 HydrophobicContact CD2-CG1 3.91Å; L62-I198 HydrophobicContact CG-CG1 4.44Å; L62-F525 HydrophobicContact CD1-CD1 4.21Å; L62-F525 HydrophobicContact CD1-CE1 3.61Å; L62-F525 HydrophobicContact CD1-CZ 4.19Å; L62-F525 HydrophobicContact CG-CE1 4.14Å; L62-F525 HydrophobicContact CG-CZ 4.25Å
63G84.1Confident85.6Confident0 Ų034.2 Ų34.20%018%0.177CC..Hα-helixtrans-66.3-20.5-17200000115.8S59 K65 G67 G529 S533S59-G63 WeakPolarHBondContact O-CA 3.16Å; S59-G63 PolarHBondContact O-N 3.16Å; G63-K65 PolarHBondContact O-N 2.99Å; G63-G67 PolarHBondContact O-N 3.48Å; G63-G67 VanDerWaalsContact O-N 3.11Å; G63-G529 WeakPolarHBondContact CA-O 3.16Å; G63-S533 PolarHBondContact O-OG 2.99Å
64A82.8Confident85.3Confident4 Ų430.2 Ų30.23%0.03316%0.156CC..Hα-helixtrans-58.7-46.3-179.600000112.7L62 E68 A203 L562L62-A64 VanDerWaalsContact C-N 3.27Å; L62-A64 PolarHBondContact O-N 3.26Å; A64-E68 PolarHBondContact O-N 3.02Å; A64-A203 HydrophobicContact CB-CB 4.09Å; A64-L562 HydrophobicContact CB-CD1 4.15Å
65K77.9Confident85.2Confident98 Ų9827.7 Ų27.743%0.42615%0.145SC..Hα-helixtrans-78.1-38.2-172.3-162.576.3-167.3162.40113.8G63 G67 E68 T69 T201G63-K65 PolarHBondContact O-N 2.99Å; K65-G67 VanDerWaalsContact C-N 3.32Å; K65-E68 WeakPolarHBondContact CE-OE2 3.09Å; K65-E68 IonicContact NZ-OE2 3.61Å; K65-E68 PolarHBondContact NZ-OE2 3.11Å; K65-E68 WeakPolarHBondContact O-CB 3.43Å; K65-E68 PolarHBondContact O-N 3.44Å; K65-T69 PolarHBondContact O-N 2.73Å; K65-T69 PolarHBondContact O-OG1 2.87Å; K65-T201 HydrophobicContact CB-CG2 4.05Å; K65-T201 HydrophobicContact CG-CG2 3.86Å
66V76.1Confident85Confident55 Ų5529.9 Ų29.933%0.33316%0.157SC..Hα-helixtrans-69.8-37.1176.9-178.80000109.4E68 T69 I70 S533V66-E68 PolarHBondContact O-N 3.23Å; V66-T69 WeakPolarHBondContact O-CB 3.4Å; V66-T69 PolarHBondContact O-N 3.26Å; V66-T69 VanDerWaalsContact O-N 3.09Å; V66-I70 PolarHBondContact O-N 3.45Å; V66-S533 WeakPolarHBondContact CB-OG 3.27Å
67G82.1Confident84.8Confident6 Ų629.4 Ų29.46%0.06215%0.154CC..Hα-helixtrans-58.3-40171.500000114.2G63 K65 T69 I70 R71 S533G63-G67 PolarHBondContact O-N 3.48Å; G63-G67 VanDerWaalsContact O-N 3.11Å; K65-G67 VanDerWaalsContact C-N 3.32Å; G67-T69 VanDerWaalsContact C-N 3.26Å; G67-T69 PolarHBondContact O-N 3.3Å; G67-I70 PolarHBondContact O-N 3.23Å; G67-R71 VanDerWaalsContact O-CB 3.3Å; G67-R71 WeakPolarHBondContact O-CB 3.39Å; G67-R71 PolarHBondContact O-N 2.88Å; G67-R71 VanDerWaalsContact O-N 3.08Å; G67-S533 PolarHBondContact N-OG 3.4Å; G67-S533 VanDerWaalsContact N-OG 3.17Å
68E82.6Confident84.7Confident53 Ų5329.8 Ų29.825%0.24816%0.156CC..Hα-helixtrans-58-37.8173.2-75.5173.5-16800113A64 K65 V66 R71 K72A64-E68 PolarHBondContact O-N 3.02Å; K65-E68 WeakPolarHBondContact CE-OE2 3.09Å; K65-E68 IonicContact NZ-OE2 3.61Å; K65-E68 PolarHBondContact NZ-OE2 3.11Å; K65-E68 WeakPolarHBondContact O-CB 3.43Å; K65-E68 PolarHBondContact O-N 3.44Å; V66-E68 PolarHBondContact O-N 3.23Å; E68-R71 PolarHBondContact O-N 3.44Å; E68-K72 PolarHBondContact O-N 3.2Å
69T82.8Confident84.6Confident70 Ų7033.4 Ų33.443%0.42918%0.175SC..Hα-helixtrans-71.4-40-176.8-56.10000111.3K65 V66 G67 G73K65-T69 PolarHBondContact O-N 2.73Å; K65-T69 PolarHBondContact O-OG1 2.87Å; V66-T69 WeakPolarHBondContact O-CB 3.4Å; V66-T69 PolarHBondContact O-N 3.26Å; V66-T69 VanDerWaalsContact O-N 3.09Å; G67-T69 VanDerWaalsContact C-N 3.26Å; G67-T69 PolarHBondContact O-N 3.3Å; T69-G73 VanDerWaalsContact O-CA 3.23Å; T69-G73 WeakPolarHBondContact O-CA 3.4Å; T69-G73 PolarHBondContact O-N 3.35Å
70I83.6Confident84.5Confident13 Ų1333.4 Ų33.47%0.06718%0.175CC..Hα-helixtrans-64.4-45174.7-68.8167.3000110.4V66 G67 I74 I118 S533 P538V66-I70 PolarHBondContact O-N 3.45Å; G67-I70 PolarHBondContact O-N 3.23Å; I70-I74 HydrophobicContact CG2-CD1 4.36Å; I70-I74 WeakPolarHBondContact O-CD1 3.45Å; I70-I118 HydrophobicContact CD1-CG2 4.45Å; I70-I118 HydrophobicContact CG2-CG1 4.37Å; I70-S533 VanDerWaalsContact CD1-C 3.45Å; I70-S533 VanDerWaalsContact CD1-O 3.26Å; I70-S533 WeakPolarHBondContact CD1-O 3.4Å; I70-P538 HydrophobicContact CG2-CG 4.37Å
71R82.8Confident84.3Confident2 Ų234.7 Ų34.71%0.00818%0.183CC..Hα-helixtrans-66.7-44.7-177.4173.2173.868.4162.53.7114.3G67 E68 A541 M544 Q553 A555G67-R71 VanDerWaalsContact O-CB 3.3Å; G67-R71 WeakPolarHBondContact O-CB 3.39Å; G67-R71 PolarHBondContact O-N 2.88Å; G67-R71 VanDerWaalsContact O-N 3.08Å; E68-R71 PolarHBondContact O-N 3.44Å; R71-A541 HydrophobicContact CB-CB 4.27Å; R71-A541 HydrophobicContact CG-CB 3.62Å; R71-M544 PolarHBondContact NH1-SD 3.09Å; R71-Q553 HydrophobicContact CG-CB 4.38Å; R71-Q553 HydrophobicContact CG-CG 4.5Å; R71-Q553 VanDerWaalsContact CZ-O 3.28Å; R71-Q553 PolarHBondContact NH1-O 3.13Å; R71-Q553 PolarHBondContact NH2-O 3.15Å; R71-A555 PolarHBondContact NH2-O 2.94Å
72K79.5Confident84.2Confident55 Ų5539.9 Ų39.924%0.23921%0.211CC..Hα-helixtrans-114.1-19.9-172.6-66.5-178.8174.4174.50115.6E68 Q136 Q553 D554E68-K72 PolarHBondContact O-N 3.2Å; K72-Q136 PolarHBondContact O-NE2 3.36Å; K72-Q136 VanDerWaalsContact O-NE2 3.15Å; K72-Q553 VanDerWaalsContact CE-C 3.41Å; K72-Q553 WeakPolarHBondContact CE-O 3.43Å; K72-Q553 VanDerWaalsContact NZ-C 3.33Å; K72-Q553 PolarHBondContact NZ-O 2.91Å; K72-D554 IonicContact NZ-OD1 3.29Å; K72-D554 PolarHBondContact NZ-OD1 3.43Å
73G81.7Confident84.4Confident4 Ų441 Ų414%0.04122%0.219CC..Hα-helixtrans-81-27.6-172.200000113.7T69 Q139T69-G73 VanDerWaalsContact O-CA 3.23Å; T69-G73 WeakPolarHBondContact O-CA 3.4Å; T69-G73 PolarHBondContact O-N 3.35Å; G73-Q139 WeakPolarHBondContact O-CB 3.38Å; G73-Q139 PolarHBondContact O-OE1 3.07Å
74I87.3Confident84.7Confident1 Ų141.2 Ų41.21%0.00522%0.22CC..SBendtrans-86.2-42.3-170.7-50.8176.4000111.7I70 V119 T122 I123 Q136 I143I70-I74 HydrophobicContact CG2-CD1 4.36Å; I70-I74 WeakPolarHBondContact O-CD1 3.45Å; I74-V119 HydrophobicContact CD1-CB 4.3Å; I74-V119 HydrophobicContact CD1-CG1 4.38Å; I74-V119 HydrophobicContact CD1-CG2 3.8Å; I74-T122 HydrophobicContact CB-CG2 4.02Å; I74-T122 HydrophobicContact CD1-CG2 4.11Å; I74-T122 HydrophobicContact CG2-CG2 3.84Å; I74-I123 HydrophobicContact CG2-CD1 4.49Å; I74-I123 HydrophobicContact CG2-CG1 3.75Å; I74-Q136 PolarHBondContact O-N 3.49Å; I74-I143 HydrophobicContact CG1-CD1 4.34Å
75I90Very high85Confident0 Ų042.2 Ų42.20%023%0.226CC..BIsolated β-bridgetrans-119.5149.6-171.160.4178.3000111.3V77 L87 T122 F125 G134 Q136I75-V77 HydrophobicContact CD1-CG1 4.24Å; I75-V77 HydrophobicContact CG1-CG1 4.01Å; I75-V77 PolarHBondContact O-N 3.28Å; I75-L87 HydrophobicContact CD1-CD1 3.73Å; I75-T122 HydrophobicContact CG2-CG2 3.73Å; I75-F125 HydrophobicContact CD1-CE2 4.45Å; I75-F125 HydrophobicContact CD1-CZ 3.77Å; I75-G134 VanDerWaalsContact CA-O 3.25Å; I75-G134 WeakPolarHBondContact CA-O 3.37Å; I75-G134 WeakPolarHBondContact CB-O 3.26Å; I75-Q136 PolarHBondContact O-NE2 2.95Å
76D88.4Confident85.7Confident47 Ų4741.5 Ų41.525%0.25123%0.227SC..  trans-85.695.4170.2-173.52000109.6N78 L79 G134 Q136D76-N78 PolarHBondContact O-N 3.33Å; D76-N78 WeakPolarHBondContact OD1-CB 3.47Å; D76-N78 PolarHBondContact OD1-N 2.81Å; D76-N78 VanDerWaalsContact OD1-N 3.12Å; D76-N78 PolarHBondContact OD1-ND2 2.97Å; D76-L79 HydrophobicContact CB-CD1 4Å; D76-L79 HydrophobicContact CB-CG 4.25Å; D76-L79 PolarHBondContact O-N 3.08Å; D76-G134 PolarHBondContact N-O 3.43Å; D76-G134 VanDerWaalsContact N-O 3.09Å; D76-Q136 HydrophobicContact CB-CG 4.26Å
77V87.8Confident86.4Confident11 Ų1138.9 Ų38.97%0.06721%0.211CC..G310 helixtrans-59.2-29.2-179.3-65.40000112.2I75 L79 Y80 L87 V551 M552I75-V77 HydrophobicContact CD1-CG1 4.24Å; I75-V77 HydrophobicContact CG1-CG1 4.01Å; I75-V77 PolarHBondContact O-N 3.28Å; V77-L79 PolarHBondContact O-N 3.23Å; V77-L79 VanDerWaalsContact O-N 3.09Å; V77-Y80 PolarHBondContact O-N 2.94Å; V77-L87 HydrophobicContact CG1-CD2 4.49Å; V77-V551 HydrophobicContact CB-CG1 3.72Å; V77-V551 HydrophobicContact CG2-CG1 4.47Å; V77-V551 WeakPolarHBondContact O-CG1 3.34Å; V77-M552 HydrophobicContact CG2-CE 3.75Å
78N88.3Confident86.9Confident83 Ų8338.6 Ų38.644%0.44421%0.208SC..G310 helixtrans-59.7-28.2-178.4-61.5-80.7000113.5D76 Y80 N81 M552D76-N78 PolarHBondContact O-N 3.33Å; D76-N78 WeakPolarHBondContact OD1-CB 3.47Å; D76-N78 PolarHBondContact OD1-N 2.81Å; D76-N78 VanDerWaalsContact OD1-N 3.12Å; D76-N78 PolarHBondContact OD1-ND2 2.97Å; N78-Y80 PolarHBondContact O-N 3.11Å; N78-N81 VanDerWaalsContact O-CG 3.3Å; N78-N81 PolarHBondContact O-N 3Å; N78-N81 PolarHBondContact O-ND2 3.32Å; N78-M552 VanDerWaalsContact OD1-CE 3.27Å; N78-M552 WeakPolarHBondContact OD1-CE 3.41Å
79L87.9Confident87.5Confident76 Ų7637.8 Ų37.840%0.39821%0.21SC..G310 helixtrans-70.1-9.3179.2-60.7174.5000113.3D76 V77 I130 K133D76-L79 HydrophobicContact CB-CD1 4Å; D76-L79 HydrophobicContact CB-CG 4.25Å; D76-L79 PolarHBondContact O-N 3.08Å; V77-L79 PolarHBondContact O-N 3.23Å; V77-L79 VanDerWaalsContact O-N 3.09Å; L79-I130 HydrophobicContact CB-CG2 4.18Å; L79-I130 HydrophobicContact CD1-CG2 3.88Å; L79-K133 HydrophobicContact CD1-CB 4.4Å; L79-K133 VanDerWaalsContact CD1-O 3.27Å; L79-K133 WeakPolarHBondContact CD1-O 3.28Å
80Y87.8Confident88Confident0 Ų034.7 Ų34.70%019%0.192CC..G310 helixtrans-103.67.2178.6-62.8-93.5000113.7V77 N78 D82 T83 V84 I86 L87 S126 A129 I130V77-Y80 PolarHBondContact O-N 2.94Å; N78-Y80 PolarHBondContact O-N 3.11Å; Y80-D82 VanDerWaalsContact C-N 3.26Å; Y80-D82 PolarHBondContact O-N 2.62Å; Y80-T83 WeakPolarHBondContact CA-OG1 3.17Å; Y80-T83 CarbonylContact O-C 3.24Å; Y80-T83 VanDerWaalsContact O-C 3.24Å; Y80-T83 PolarHBondContact O-N 3Å; Y80-V84 PolarHBondContact O-N 3.34Å; Y80-V84 VanDerWaalsContact O-N 3.07Å; Y80-I86 HydrophobicContact CE1-CG2 4.36Å; Y80-L87 HydrophobicContact CD1-CB 3.87Å; Y80-L87 HydrophobicContact CD1-CD1 4.4Å; Y80-L87 HydrophobicContact CD2-CD1 4.15Å; Y80-L87 HydrophobicContact CE2-CD1 4.28Å; Y80-L87 HydrophobicContact CG-CB 3.95Å; Y80-L87 HydrophobicContact CG-CD1 4.21Å; Y80-L87 HydrophobicContact CG-CD2 4.39Å; Y80-L87 HydrophobicContact CG-CG 4.41Å; Y80-S126 WeakPolarHBondContact OH-CA 3.46Å; Y80-S126 PolarHBondContact OH-OG 3.45Å; Y80-S126 VanDerWaalsContact OH-OG 3.09Å; Y80-A129 HydrophobicContact CE1-CB 4.03Å; Y80-I130 HydrophobicContact CD1-CD1 4.37Å; Y80-I130 HydrophobicContact CD1-CG1 4.23Å; Y80-I130 HydrophobicContact CE1-CD1 4.11Å; Y80-I130 HydrophobicContact CE1-CG1 3.56Å; Y80-I130 HydrophobicContact CE2-CG1 3.9Å; Y80-I130 WeakPolarHBondContact OH-CG1 3.36Å
81N86.4Confident88.5Confident83 Ų8334.2 Ų34.244%0.44419%0.19SC..THydrogen-bonded Turntrans-53.4-40.2-178.8-80.6-23000113.3N78N78-N81 VanDerWaalsContact O-CG 3.3Å; N78-N81 PolarHBondContact O-N 3Å; N78-N81 PolarHBondContact O-ND2 3.32Å
82D84.6Confident89.1Confident156 Ų15635 Ų3583%0.83419%0.194SC*.THydrogen-bonded Turntrans-84.7-9.6177.3-58.7-48.8000113.3Y80Y80-D82 VanDerWaalsContact C-N 3.26Å; Y80-D82 PolarHBondContact O-N 2.62Å
83T88.4Confident89.9Confident44 Ų4435.6 Ų35.627%0.2721%0.205SC..  trans-13337.2-168.956.40000113Y80 P85 I86 L87Y80-T83 WeakPolarHBondContact CA-OG1 3.17Å; Y80-T83 CarbonylContact O-C 3.24Å; Y80-T83 VanDerWaalsContact O-C 3.24Å; Y80-T83 PolarHBondContact O-N 3Å; T83-P85 VanDerWaalsContact C-N 3.29Å; T83-P85 VanDerWaalsContact O-N 3.09Å; T83-I86 HydrophobicContact CG2-CD1 4.04Å; T83-I86 WeakPolarHBondContact O-CA 3.47Å; T83-I86 WeakPolarHBondContact O-CB 3.43Å; T83-I86 PolarHBondContact O-N 3.39Å; T83-L87 PolarHBondContact O-N 3.39Å
84V89.7Confident90.5Very high5 Ų535.4 Ų35.43%0.0320%0.204CC..Hα-helixtrans-42.7-44.2179.2-166.10000114.3M1 Y80 I86 L87 M88 I545 V551M1-V84 HydrophobicContact CE-CB 4.34Å; M1-V84 HydrophobicContact CE-CG2 3.92Å; M1-V84 HydrophobicContact SD-CB 4.17Å; M1-V84 HydrophobicContact SD-CG2 4.36Å; Y80-V84 PolarHBondContact O-N 3.34Å; Y80-V84 VanDerWaalsContact O-N 3.07Å; V84-I86 VanDerWaalsContact C-N 3.28Å; V84-I86 PolarHBondContact O-N 2.85Å; V84-L87 PolarHBondContact O-N 2.88Å; V84-M88 PolarHBondContact O-N 3.25Å; V84-M88 VanDerWaalsContact O-N 3.09Å; V84-I545 HydrophobicContact CG1-CG2 3.27Å; V84-V551 HydrophobicContact CB-CG2 4.29Å; V84-V551 HydrophobicContact CG1-CG2 4.15Å; V84-V551 HydrophobicContact CG2-CG2 3.67Å
85P90.3Very high90.9Very high24 Ų2435.4 Ų35.416%0.15620%0.204CC..Hα-helixtrans-66.3-25.9178.5-21.635.4000114.4M1 Y6 T83 A89M1-P85 HydrophobicContact SD-CG 4.14Å; Y6-P85 HydrophobicContact CD1-CB 4.19Å; Y6-P85 HydrophobicContact CE1-CB 3.67Å; Y6-P85 HydrophobicContact CE1-CG 4.13Å; Y6-P85 HydrophobicContact CE2-CB 4.31Å; Y6-P85 HydrophobicContact CE2-CG 3.88Å; T83-P85 VanDerWaalsContact C-N 3.29Å; T83-P85 VanDerWaalsContact O-N 3.09Å; P85-A89 WeakPolarHBondContact O-CB 3.35Å; P85-A89 PolarHBondContact O-N 2.9Å
86I91.8Very high91.2Very high84 Ų8438.1 Ų38.143%0.43122%0.22SC..Hα-helixtrans-71.8-38.8175.4-56.4-173.1000109.9Y80 T83 V84 A89 G90 A129Y80-I86 HydrophobicContact CE1-CG2 4.36Å; T83-I86 HydrophobicContact CG2-CD1 4.04Å; T83-I86 WeakPolarHBondContact O-CA 3.47Å; T83-I86 WeakPolarHBondContact O-CB 3.43Å; T83-I86 PolarHBondContact O-N 3.39Å; V84-I86 VanDerWaalsContact C-N 3.28Å; V84-I86 PolarHBondContact O-N 2.85Å; I86-A89 PolarHBondContact O-N 2.85Å; I86-G90 PolarHBondContact O-N 2.79Å; I86-A129 HydrophobicContact CG2-CB 3.94Å
87L91.6Very high91.5Very high0 Ų037.6 Ų37.60%023%0.226CC..Hα-helixtrans-64.3-45.1173.7-176.159.9000111.1I75 V77 Y80 T83 V84 A89 G90 E91 F125 I545 V551I75-L87 HydrophobicContact CD1-CD1 3.73Å; V77-L87 HydrophobicContact CG1-CD2 4.49Å; Y80-L87 HydrophobicContact CD1-CB 3.87Å; Y80-L87 HydrophobicContact CD1-CD1 4.4Å; Y80-L87 HydrophobicContact CD2-CD1 4.15Å; Y80-L87 HydrophobicContact CE2-CD1 4.28Å; Y80-L87 HydrophobicContact CG-CB 3.95Å; Y80-L87 HydrophobicContact CG-CD1 4.21Å; Y80-L87 HydrophobicContact CG-CD2 4.39Å; Y80-L87 HydrophobicContact CG-CG 4.41Å; T83-L87 PolarHBondContact O-N 3.39Å; V84-L87 PolarHBondContact O-N 2.88Å; L87-A89 PolarHBondContact O-N 2.94Å; L87-G90 CarbonylContact O-C 3.6Å; L87-G90 WeakPolarHBondContact O-CA 3.32Å; L87-G90 PolarHBondContact O-N 3Å; L87-E91 PolarHBondContact O-N 3.07Å; L87-F125 HydrophobicContact CD1-CE2 4.27Å; L87-F125 HydrophobicContact CD1-CZ 4.22Å; L87-I545 HydrophobicContact CD2-CD1 3.58Å; L87-I545 HydrophobicContact CD2-CG1 4.47Å; L87-I545 HydrophobicContact CG-CD1 3.75Å; L87-V551 HydrophobicContact CD2-CG1 3.54Å
88M92.7Very high91.8Very high0 Ų037.1 Ų37.10%022%0.223CC..Hα-helixtrans-57.3-45.8174.4-66.8-178.271.200112.3L3 M9 V10 V84 G90 E91 V92 L542 I545 Y546L3-M88 HydrophobicContact CD2-SD 3.82Å; M9-M88 HydrophobicContact SD-CB 3.87Å; V10-M88 HydrophobicContact CG2-CE 3.94Å; V84-M88 PolarHBondContact O-N 3.25Å; V84-M88 VanDerWaalsContact O-N 3.09Å; M88-G90 VanDerWaalsContact C-N 3.27Å; M88-G90 PolarHBondContact O-N 2.95Å; M88-E91 PolarHBondContact O-N 3.5Å; M88-V92 WeakPolarHBondContact O-CG2 3.44Å; M88-V92 PolarHBondContact O-N 3.43Å; M88-L542 HydrophobicContact CB-CD1 3.62Å; M88-L542 HydrophobicContact CE-CD1 3.68Å; M88-L542 HydrophobicContact CG-CD1 3.9Å; M88-I545 HydrophobicContact CG-CB 4.24Å; M88-I545 HydrophobicContact CG-CG2 3.55Å; M88-I545 HydrophobicContact SD-CG2 3.91Å; M88-Y546 HydrophobicContact CE-CD2 4.16Å
89A93.7Very high92.1Very high36 Ų3633.4 Ų33.430%0.29820%0.204SC..Hα-helixtrans-64.7-32.3174.600000112.5M9 P85 I86 L87 S93M9-A89 HydrophobicContact CE-CB 4.22Å; P85-A89 WeakPolarHBondContact O-CB 3.35Å; P85-A89 PolarHBondContact O-N 2.9Å; I86-A89 PolarHBondContact O-N 2.85Å; L87-A89 PolarHBondContact O-N 2.94Å; A89-S93 VanDerWaalsContact O-CB 3.28Å; A89-S93 WeakPolarHBondContact O-CB 3.42Å; A89-S93 PolarHBondContact O-N 3.48Å; A89-S93 PolarHBondContact O-OG 3.35Å
90G94.1Very high92.4Very high5 Ų533.6 Ų33.65%0.05221%0.208CC..Hα-helixtrans-62.1-50173.200000112.9I86 L87 M88 V92 S93 A94 F125I86-G90 PolarHBondContact O-N 2.79Å; L87-G90 CarbonylContact O-C 3.6Å; L87-G90 WeakPolarHBondContact O-CA 3.32Å; L87-G90 PolarHBondContact O-N 3Å; M88-G90 VanDerWaalsContact C-N 3.27Å; M88-G90 PolarHBondContact O-N 2.95Å; G90-V92 PolarHBondContact O-N 2.69Å; G90-S93 PolarHBondContact O-N 2.83Å; G90-S93 VanDerWaalsContact O-N 3.15Å; G90-A94 WeakPolarHBondContact O-CB 3.4Å; G90-A94 PolarHBondContact O-N 2.93Å; G90-F125 VanDerWaalsContact CA-CD2 3.48Å; G90-F125 VanDerWaalsContact O-CD1 3.28Å; G90-F125 WeakPolarHBondContact O-CD1 3.37Å; G90-F125 WeakPolarHBondContact O-CE1 3.45Å
91E93.6Very high92.6Very high3 Ų340.8 Ų40.81%0.01424%0.235CC..Hα-helixtrans-59.6-44.9176.2-61.1-59.4166.400111.7L87 M88 S93 A94 M95 P538 A541 L542L87-E91 PolarHBondContact O-N 3.07Å; M88-E91 PolarHBondContact O-N 3.5Å; E91-S93 VanDerWaalsContact C-N 3.35Å; E91-S93 PolarHBondContact O-N 2.96Å; E91-A94 PolarHBondContact O-N 3.24Å; E91-M95 WeakPolarHBondContact O-CG 3.15Å; E91-M95 PolarHBondContact O-N 2.93Å; E91-P538 HydrophobicContact CB-CB 4.42Å; E91-P538 WeakPolarHBondContact OE2-CA 3.47Å; E91-P538 WeakPolarHBondContact OE2-CB 3.46Å; E91-A541 HydrophobicContact CG-CB 3.94Å; E91-L542 HydrophobicContact CB-CB 4.23Å
92V95.4Very high92.8Very high18 Ų1836.8 Ų36.811%0.10921%0.214CC..Hα-helixtrans-61.1-44.5174.7176.90000110.8M9 I12 I16 M88 G90 A94 M95 V96 L542M9-V92 HydrophobicContact CB-CG2 4.45Å; I12-V92 HydrophobicContact CG2-CG1 4.13Å; I16-V92 HydrophobicContact CD1-CG1 4.44Å; M88-V92 WeakPolarHBondContact O-CG2 3.44Å; M88-V92 PolarHBondContact O-N 3.43Å; G90-V92 PolarHBondContact O-N 2.69Å; V92-A94 PolarHBondContact O-N 2.88Å; V92-M95 HydrophobicContact CG2-CE 4.39Å; V92-M95 PolarHBondContact O-N 2.93Å; V92-V96 HydrophobicContact CG1-CG2 4.3Å; V92-V96 WeakPolarHBondContact O-CG2 3.14Å; V92-V96 PolarHBondContact O-N 3.05Å; V92-L542 HydrophobicContact CG2-CD1 4.31Å; V92-L542 HydrophobicContact CG2-CD2 3.62Å
93S95.5Very high93Very high67 Ų6731.7 Ų31.747%0.46919%0.186SC..Hα-helixtrans-64.8-37.3178.8-59.40000112.6A89 G90 E91 V96 G97A89-S93 VanDerWaalsContact O-CB 3.28Å; A89-S93 WeakPolarHBondContact O-CB 3.42Å; A89-S93 PolarHBondContact O-N 3.48Å; A89-S93 PolarHBondContact O-OG 3.35Å; G90-S93 PolarHBondContact O-N 2.83Å; G90-S93 VanDerWaalsContact O-N 3.15Å; E91-S93 VanDerWaalsContact C-N 3.35Å; E91-S93 PolarHBondContact O-N 2.96Å; S93-V96 PolarHBondContact O-N 3.4Å; S93-G97 PolarHBondContact O-N 2.83Å
94A95.3Very high93Very high1 Ų133.4 Ų33.41%0.00819%0.193CC..Hα-helixtrans-63.5-45.217500000111.2G90 E91 V92 G97 S98 I118 A121 F125G90-A94 WeakPolarHBondContact O-CB 3.4Å; G90-A94 PolarHBondContact O-N 2.93Å; E91-A94 PolarHBondContact O-N 3.24Å; V92-A94 PolarHBondContact O-N 2.88Å; A94-G97 PolarHBondContact O-N 3.27Å; A94-S98 WeakPolarHBondContact O-CB 3.25Å; A94-S98 PolarHBondContact O-N 2.9Å; A94-I118 HydrophobicContact CB-CD1 3.93Å; A94-A121 HydrophobicContact CB-CB 4.29Å; A94-A121 WeakPolarHBondContact O-CB 3.33Å; A94-F125 HydrophobicContact CB-CD1 3.96Å; A94-F125 HydrophobicContact CB-CE1 4.07Å
95M95.6Very high92.8Very high0 Ų033.3 Ų33.30%019%0.193CC..Hα-helixtrans-62.9-43.6174.7-68.1-173.8-73.200112I16 A17 L20 E91 V92 A99 P538 L539 L542I16-M95 HydrophobicContact CG2-CB 3.83Å; A17-M95 HydrophobicContact CB-SD 3.74Å; L20-M95 HydrophobicContact CD2-CB 4.25Å; L20-M95 HydrophobicContact CD2-CG 4.18Å; E91-M95 WeakPolarHBondContact O-CG 3.15Å; E91-M95 PolarHBondContact O-N 2.93Å; V92-M95 HydrophobicContact CG2-CE 4.39Å; V92-M95 PolarHBondContact O-N 2.93Å; M95-A99 WeakPolarHBondContact O-CB 3.43Å; M95-A99 PolarHBondContact O-N 2.89Å; M95-P538 HydrophobicContact CE-CB 4.44Å; M95-P538 HydrophobicContact CG-CB 3.55Å; M95-P538 HydrophobicContact CG-CG 4.01Å; M95-P538 HydrophobicContact SD-CB 3.89Å; M95-L539 HydrophobicContact SD-CB 4.09Å; M95-L542 HydrophobicContact CE-CD2 4.11Å
96V96.2Very high92.4Very high58 Ų5832.7 Ų32.735%0.35219%0.189SC..Hα-helixtrans-57.8-53.9175.9177.20000110.5I16 V92 S93 S98 A99 V100I16-V96 HydrophobicContact CD1-CG2 3.46Å; I16-V96 VanDerWaalsContact CD1-CG2 3.46Å; I16-V96 HydrophobicContact CG2-CG2 4.23Å; V92-V96 HydrophobicContact CG1-CG2 4.3Å; V92-V96 WeakPolarHBondContact O-CG2 3.14Å; V92-V96 PolarHBondContact O-N 3.05Å; S93-V96 PolarHBondContact O-N 3.4Å; V96-S98 PolarHBondContact O-N 3.19Å; V96-A99 PolarHBondContact O-N 3.22Å; V96-V100 HydrophobicContact CG1-CG2 4.28Å; V96-V100 WeakPolarHBondContact O-CG2 3.41Å; V96-V100 PolarHBondContact O-N 3.37Å
97G95.4Very high92Very high36 Ų3636.1 Ų36.137%0.37120%0.201SC..Hα-helixtrans-61.7-43.6-17600000112.3S93 A94 W101S93-G97 PolarHBondContact O-N 2.83Å; A94-G97 PolarHBondContact O-N 3.27Å; G97-W101 PolarHBondContact O-N 3.18Å
98S94.2Very high91.6Very high1 Ų141 Ų411%0.00723%0.227CC..Hα-helixtrans-64-45.8175.2-1670000111.6A94 V96 W101 Q102 C117 I118A94-S98 WeakPolarHBondContact O-CB 3.25Å; A94-S98 PolarHBondContact O-N 2.9Å; V96-S98 PolarHBondContact O-N 3.19Å; S98-W101 PolarHBondContact O-N 2.98Å; S98-Q102 WeakPolarHBondContact O-CB 3.13Å; S98-Q102 VanDerWaalsContact O-CG 3.25Å; S98-Q102 WeakPolarHBondContact O-CG 3.41Å; S98-Q102 PolarHBondContact O-N 3.3Å; S98-Q102 PolarHBondContact OG-NE2 3.21Å; S98-C117 WeakPolarHBondContact OG-CB 3.21Å; S98-I118 PolarHBondContact OG-N 3.17Å
99A94.1Very high90.9Very high4 Ų446.5 Ų46.53%0.03325%0.25CS..Hα-helixtrans-65-45.3-178.200000112.4I16 I19 L20 M95 V96 W101 Q102 L103I16-A99 HydrophobicContact CG2-CB 4.42Å; I19-A99 HydrophobicContact CG2-CB 4.37Å; L20-A99 HydrophobicContact CB-CB 4.08Å; L20-A99 HydrophobicContact CD1-CB 4.14Å; M95-A99 WeakPolarHBondContact O-CB 3.43Å; M95-A99 PolarHBondContact O-N 2.89Å; V96-A99 PolarHBondContact O-N 3.22Å; A99-W101 PolarHBondContact O-N 3.2Å; A99-Q102 PolarHBondContact O-N 3.4Å; A99-L103 WeakPolarHBondContact O-CB 3.3Å; A99-L103 VanDerWaalsContact O-CG 3.3Å; A99-L103 WeakPolarHBondContact O-CG 3.39Å; A99-L103 PolarHBondContact O-N 2.74Å
100V93.6Very high90.3Very high80 Ų8049.2 Ų49.249%0.48526%0.259SS..Hα-helixtrans-60.7-47.9178.8169.90000110.8V96 I104V96-V100 HydrophobicContact CG1-CG2 4.28Å; V96-V100 WeakPolarHBondContact O-CG2 3.41Å; V96-V100 PolarHBondContact O-N 3.37Å; V100-I104 HydrophobicContact CG1-CD1 3.89Å; V100-I104 WeakPolarHBondContact O-CD1 3.29Å; V100-I104 VanDerWaalsContact O-CG1 3.25Å; V100-I104 WeakPolarHBondContact O-CG1 3.28Å; V100-I104 PolarHBondContact O-N 3.2Å; V100-I104 VanDerWaalsContact O-N 3.15Å
101W92.8Very high89.5Confident151 Ų15152.7 Ų52.757%0.57228%0.281SS*.Hα-helixtrans-65.1-42178.8-178.8-104.4000112.2G97 S98 A99 I104 A105G97-W101 PolarHBondContact O-N 3.18Å; S98-W101 PolarHBondContact O-N 2.98Å; A99-W101 PolarHBondContact O-N 3.2Å; W101-I104 PolarHBondContact O-N 3.19Å; W101-A105 PolarHBondContact O-N 3.29Å
102Q89.6Confident89.1Confident0 Ų054.4 Ų54.40%029%0.29CS..Hα-helixtrans-66.3-42.5179.2-71.3-17155.200112.9L20 S98 A99 I104 A105 S106 I112 C117L20-Q102 VanDerWaalsContact CD1-NE2 3.32Å; S98-Q102 WeakPolarHBondContact O-CB 3.13Å; S98-Q102 VanDerWaalsContact O-CG 3.25Å; S98-Q102 WeakPolarHBondContact O-CG 3.41Å; S98-Q102 PolarHBondContact O-N 3.3Å; S98-Q102 PolarHBondContact OG-NE2 3.21Å; A99-Q102 PolarHBondContact O-N 3.4Å; Q102-I104 VanDerWaalsContact C-N 3.32Å; Q102-I104 PolarHBondContact O-N 3.25Å; Q102-A105 PolarHBondContact O-N 2.94Å; Q102-S106 PolarHBondContact O-N 3.44Å; Q102-S106 PolarHBondContact O-OG 3.5Å; Q102-I112 HydrophobicContact CB-CD1 4.33Å; Q102-I112 HydrophobicContact CG-CD1 3.83Å; Q102-C117 HydrophobicContact CG-CB 4.16Å
103L89.1Confident88.7Confident49 Ų4955.6 Ų55.626%0.25730%0.299SS..Hα-helixtrans-59.4-41173.9-74.7173.3000112.4I19 F22 S23 A99 S106 F107 W576I19-L103 HydrophobicContact CG2-CD1 3.79Å; I19-L103 HydrophobicContact CG2-CG 4.47Å; F22-L103 HydrophobicContact CD1-CD2 4.48Å; S23-L103 WeakPolarHBondContact OG-CD2 3.38Å; S23-L103 VanDerWaalsContact OG-CG 3.27Å; S23-L103 WeakPolarHBondContact OG-CG 3.34Å; A99-L103 WeakPolarHBondContact O-CB 3.3Å; A99-L103 VanDerWaalsContact O-CG 3.3Å; A99-L103 WeakPolarHBondContact O-CG 3.39Å; A99-L103 PolarHBondContact O-N 2.74Å; L103-S106 PolarHBondContact O-N 3.41Å; L103-F107 WeakPolarHBondContact O-CB 3.35Å; L103-F107 PolarHBondContact O-N 3.12Å; L103-W576 HydrophobicContact CD2-CH2 4.18Å; L103-W576 HydrophobicContact CD2-CZ3 3.67Å
104I89.4Confident88.3Confident79 Ų7952.5 Ų52.541%0.40528%0.278SS..Hα-helixtrans-64.2-45.2177.3-69.8166.3000110.1V100 W101 Q102 F107 L108V100-I104 HydrophobicContact CG1-CD1 3.89Å; V100-I104 WeakPolarHBondContact O-CD1 3.29Å; V100-I104 VanDerWaalsContact O-CG1 3.25Å; V100-I104 WeakPolarHBondContact O-CG1 3.28Å; V100-I104 PolarHBondContact O-N 3.2Å; V100-I104 VanDerWaalsContact O-N 3.15Å; W101-I104 PolarHBondContact O-N 3.19Å; Q102-I104 VanDerWaalsContact C-N 3.32Å; Q102-I104 PolarHBondContact O-N 3.25Å; I104-F107 PolarHBondContact O-N 3.26Å; I104-L108 HydrophobicContact CG2-CD1 4Å; I104-L108 VanDerWaalsContact O-CG 3.32Å; I104-L108 WeakPolarHBondContact O-CG 3.29Å; I104-L108 PolarHBondContact O-N 2.92Å
105A84.9Confident88Confident4 Ų453.7 Ų53.73%0.03329%0.285CS..Hα-helixtrans-63.6-43.3176.300000112.6W101 Q102 F107 L108 K109 L110 I112W101-A105 PolarHBondContact O-N 3.29Å; Q102-A105 PolarHBondContact O-N 2.94Å; A105-F107 VanDerWaalsContact C-N 3.31Å; A105-F107 PolarHBondContact O-N 3.49Å; A105-L108 CarbonylContact O-C 3.58Å; A105-L108 PolarHBondContact O-N 3.16Å; A105-K109 PolarHBondContact O-N 3.43Å; A105-L110 PolarHBondContact O-N 2.73Å; A105-I112 HydrophobicContact CB-CB 4.45Å; A105-I112 HydrophobicContact CB-CD1 3.37Å; A105-I112 HydrophobicContact CB-CG1 3.69Å; A105-I112 HydrophobicContact CB-CG2 3.92Å
106S81.8Confident87.8Confident10 Ų1057.8 Ų57.87%0.0730%0.304CS..Hα-helixtrans-56.3-44.9173.1-570000111.8N27 Q102 L103 L108 K109N27-S106 PolarHBondContact ND2-OG 3.43Å; N27-S106 VanDerWaalsContact ND2-OG 3.07Å; N27-S106 VanDerWaalsContact OD1-CA 3.3Å; N27-S106 WeakPolarHBondContact OD1-CA 3.5Å; N27-S106 VanDerWaalsContact OD1-CB 3.3Å; N27-S106 WeakPolarHBondContact OD1-CB 3.32Å; N27-S106 PolarHBondContact OD1-OG 3.38Å; Q102-S106 PolarHBondContact O-N 3.44Å; Q102-S106 PolarHBondContact O-OG 3.5Å; L103-S106 PolarHBondContact O-N 3.41Å; S106-L108 VanDerWaalsContact C-N 3.34Å; S106-L108 PolarHBondContact O-N 3.34Å; S106-K109 PolarHBondContact O-N 2.95Å; S106-K109 VanDerWaalsContact O-N 3.1Å
107F82.5Confident87.6Confident157 Ų15755.9 Ų55.969%0.68929%0.293SS*.Hα-helixtrans-65.2-38.1179.5-176.6-96.4000112L103 I104 A105 K109L103-F107 WeakPolarHBondContact O-CB 3.35Å; L103-F107 PolarHBondContact O-N 3.12Å; I104-F107 PolarHBondContact O-N 3.26Å; A105-F107 VanDerWaalsContact C-N 3.31Å; A105-F107 PolarHBondContact O-N 3.49Å; F107-K109 PolarHBondContact O-N 3.04Å
108L83.1Confident87.5Confident103 Ų10354.1 Ų54.154%0.53928%0.275SS..THydrogen-bonded Turntrans-78.2-0.8173.9-64.5174.9000113.8I104 A105 S106 L110I104-L108 HydrophobicContact CG2-CD1 4Å; I104-L108 VanDerWaalsContact O-CG 3.32Å; I104-L108 WeakPolarHBondContact O-CG 3.29Å; I104-L108 PolarHBondContact O-N 2.92Å; A105-L108 CarbonylContact O-C 3.58Å; A105-L108 PolarHBondContact O-N 3.16Å; S106-L108 VanDerWaalsContact C-N 3.34Å; S106-L108 PolarHBondContact O-N 3.34Å; L108-L110 VanDerWaalsContact C-N 3.25Å; L108-L110 HydrophobicContact CB-CD1 4.01Å; L108-L110 HydrophobicContact CB-CG 3.94Å; L108-L110 HydrophobicContact CD1-CD1 4.26Å; L108-L110 PolarHBondContact O-N 3.41Å
109K79.4Confident87.4Confident114 Ų11454.3 Ų54.350%0.49628%0.276SS..THydrogen-bonded Turntrans57.730.5-175.2-49.4179.8-177.7-179.60114.3A105 S106 F107A105-K109 PolarHBondContact O-N 3.43Å; S106-K109 PolarHBondContact O-N 2.95Å; S106-K109 VanDerWaalsContact O-N 3.1Å; F107-K109 PolarHBondContact O-N 3.04Å
110L79.9Confident87.4Confident93 Ų9356 Ų5649%0.48729%0.294SS..  trans-92.5120.9-179.9-62.2176.8000110.1A105 L108 I112A105-L110 PolarHBondContact O-N 2.73Å; L108-L110 VanDerWaalsContact C-N 3.25Å; L108-L110 HydrophobicContact CB-CD1 4.01Å; L108-L110 HydrophobicContact CB-CG 3.94Å; L108-L110 HydrophobicContact CD1-CD1 4.26Å; L108-L110 PolarHBondContact O-N 3.41Å; L110-I112 HydrophobicContact CB-CG2 4.43Å; L110-I112 PolarHBondContact O-N 3.11Å
111P78.4Confident87.5Confident79 Ų7953.3 Ų53.351%0.51328%0.28SS..  trans-67.8127.5170.328.8-32.8000109.3M584P111-M584 HydrophobicContact CB-SD 4.32Å; P111-M584 HydrophobicContact CG-SD 4.29Å
112I84.5Confident87.5Confident38 Ų3846.2 Ų46.220%0.19525%0.253CS..  trans-140.8157.2-175.955.7151.3000110.6Q102 A105 L110 G114Q102-I112 HydrophobicContact CB-CD1 4.33Å; Q102-I112 HydrophobicContact CG-CD1 3.83Å; A105-I112 HydrophobicContact CB-CB 4.45Å; A105-I112 HydrophobicContact CB-CD1 3.37Å; A105-I112 HydrophobicContact CB-CG1 3.69Å; A105-I112 HydrophobicContact CB-CG2 3.92Å; L110-I112 HydrophobicContact CB-CG2 4.43Å; L110-I112 PolarHBondContact O-N 3.11Å; I112-G114 PolarHBondContact O-N 2.96Å
113S88.2Confident87.7Confident43 Ų4347.4 Ų47.430%0.30126%0.26SS..  trans-84.5109.5176.51700000111.5T115 H116 C117S113-T115 PolarHBondContact O-N 3.49Å; S113-H116 WeakPolarHBondContact CB-ND1 3.4Å; S113-H116 PolarHBondContact O-N 2.83Å; S113-H116 PolarHBondContact OG-CD2 2.92Å; S113-H116 VanDerWaalsContact OG-CG 3.27Å; S113-H116 PolarHBondContact OG-N 3.1Å; S113-H116 PolarHBondContact OG-NE2 3.23Å; S113-C117 PolarHBondContact O-N 3.2Å; S113-C117 PolarHBondContact O-SG 3.24Å
114G87Confident87.9Confident2 Ų246.8 Ų46.82%0.02127%0.265CS..Hα-helixtrans-57.2-34.8173.300000113.2I112 C117 I118I112-G114 PolarHBondContact O-N 2.96Å; G114-C117 WeakPolarHBondContact O-CB 3.27Å; G114-C117 PolarHBondContact O-N 2.82Å; G114-I118 PolarHBondContact O-N 3.41Å; G114-I118 VanDerWaalsContact O-N 3.1Å
115T89.3Confident88.1Confident26 Ų2644.1 Ų44.116%0.1625%0.25CS..Hα-helixtrans-63-42175.9-540000112.4S113 C117 V119 N534S113-T115 PolarHBondContact O-N 3.49Å; T115-C117 VanDerWaalsContact C-N 3.27Å; T115-C117 PolarHBondContact O-N 3.5Å; T115-V119 HydrophobicContact CG2-CG2 4.2Å; T115-V119 WeakPolarHBondContact O-CB 3.36Å; T115-V119 WeakPolarHBondContact O-CG2 3.28Å; T115-V119 PolarHBondContact O-N 2.96Å; T115-N534 VanDerWaalsContact CA-OD1 3.32Å; T115-N534 WeakPolarHBondContact CA-OD1 3Å; T115-N534 WeakPolarHBondContact CB-OD1 3.4Å; T115-N534 VanDerWaalsContact OG1-CG 3.27Å; T115-N534 PolarHBondContact OG1-ND2 2.95Å; T115-N534 PolarHBondContact OG1-OD1 3Å
116H91.1Very high88.5Confident86 Ų8643.9 Ų43.940%0.39825%0.249SC..Hα-helixtrans-63.8-37176.4-61.8172.9000111.3S113 G120 W147S113-H116 WeakPolarHBondContact CB-ND1 3.4Å; S113-H116 PolarHBondContact O-N 2.83Å; S113-H116 PolarHBondContact OG-CD2 2.92Å; S113-H116 VanDerWaalsContact OG-CG 3.27Å; S113-H116 PolarHBondContact OG-N 3.1Å; S113-H116 PolarHBondContact OG-NE2 3.23Å; H116-G120 PolarHBondContact O-N 3.48Å; H116-W147 HydrophobicContact CB-CH2 4.47Å; H116-W147 AromaticContact CD2-CD2 3.47Å; H116-W147 VanDerWaalsContact CD2-CD2 3.47Å; H116-W147 AromaticContact CD2-CE2 3.32Å; H116-W147 AromaticContact CD2-CE3 3.71Å; H116-W147 AromaticContact CD2-CH2 3.71Å; H116-W147 AromaticContact CD2-CZ2 3.46Å; H116-W147 VanDerWaalsContact CD2-CZ2 3.46Å; H116-W147 WeakPolarHBondContact CD2-CZ2 3.44Å; H116-W147 AromaticContact CD2-CZ3 3.83Å; H116-W147 AromaticContact CD2-NE1 3.85Å; H116-W147 AromaticContact NE2-CD1 3.85Å; H116-W147 AromaticContact NE2-CD2 3.29Å; H116-W147 VanDerWaalsContact NE2-CD2 3.29Å; H116-W147 AromaticContact NE2-CE2 3.61Å; H116-W147 AromaticContact NE2-CE3 3.65Å; H116-W147 AromaticContact NE2-CG 3.49Å; H116-W147 AromaticContact NE2-NE1 3.91Å
117C92.3Very high89Confident18 Ų1847.8 Ų47.812%0.12227%0.267CS..Hα-helixtrans-64.6-49.9-179.4-55.60000111.5S98 Q102 S113 G114 T115 A121S98-C117 WeakPolarHBondContact OG-CB 3.21Å; Q102-C117 HydrophobicContact CG-CB 4.16Å; S113-C117 PolarHBondContact O-N 3.2Å; S113-C117 PolarHBondContact O-SG 3.24Å; G114-C117 WeakPolarHBondContact O-CB 3.27Å; G114-C117 PolarHBondContact O-N 2.82Å; T115-C117 VanDerWaalsContact C-N 3.27Å; T115-C117 PolarHBondContact O-N 3.5Å; C117-A121 WeakPolarHBondContact O-CB 3.49Å; C117-A121 PolarHBondContact O-N 2.97Å
118I92.7Very high89.6Confident0 Ų046.6 Ų46.60%027%0.272CS..Hα-helixtrans-71-41.9-179.5-167.859.8000112I70 A94 S98 G114 G120 A121 T122 N534 P538I70-I118 HydrophobicContact CD1-CG2 4.45Å; I70-I118 HydrophobicContact CG2-CG1 4.37Å; A94-I118 HydrophobicContact CB-CD1 3.93Å; S98-I118 PolarHBondContact OG-N 3.17Å; G114-I118 PolarHBondContact O-N 3.41Å; G114-I118 VanDerWaalsContact O-N 3.1Å; I118-G120 VanDerWaalsContact C-N 3.33Å; I118-G120 PolarHBondContact O-N 3.01Å; I118-A121 PolarHBondContact O-N 3.19Å; I118-T122 WeakPolarHBondContact O-CB 3.49Å; I118-T122 PolarHBondContact O-N 3Å; I118-T122 PolarHBondContact O-OG1 3.27Å; I118-N534 HydrophobicContact CG2-CB 4.37Å; I118-P538 HydrophobicContact CD1-CG 3.71Å; I118-P538 HydrophobicContact CG1-CG 3.87Å
119V92.6Very high90Very high4 Ų443.8 Ų43.82%0.02426%0.264CS..Hα-helixtrans-59.6-44.9176.4171.90000110.8I74 T115 T122 I123 L140 W147I74-V119 HydrophobicContact CD1-CB 4.3Å; I74-V119 HydrophobicContact CD1-CG1 4.38Å; I74-V119 HydrophobicContact CD1-CG2 3.8Å; T115-V119 HydrophobicContact CG2-CG2 4.2Å; T115-V119 WeakPolarHBondContact O-CB 3.36Å; T115-V119 WeakPolarHBondContact O-CG2 3.28Å; T115-V119 PolarHBondContact O-N 2.96Å; V119-T122 PolarHBondContact O-N 2.81Å; V119-I123 HydrophobicContact CG1-CD1 3.72Å; V119-I123 WeakPolarHBondContact O-CD1 3.45Å; V119-I123 VanDerWaalsContact O-CG1 3.23Å; V119-I123 WeakPolarHBondContact O-CG1 3.47Å; V119-I123 PolarHBondContact O-N 2.83Å; V119-L140 HydrophobicContact CG1-CD1 4.15Å; V119-W147 HydrophobicContact CB-CH2 4.37Å; V119-W147 HydrophobicContact CB-CZ2 4.2Å; V119-W147 HydrophobicContact CG1-CH2 4.06Å; V119-W147 HydrophobicContact CG1-CZ2 4.09Å; V119-W147 HydrophobicContact CG2-CZ2 4.27Å
120G93.9Very high90.5Very high40 Ų4041.1 Ų41.141%0.41225%0.254SS..Hα-helixtrans-61.8-43.317600000113.2H116 I118 G124H116-G120 PolarHBondContact O-N 3.48Å; I118-G120 VanDerWaalsContact C-N 3.33Å; I118-G120 PolarHBondContact O-N 3.01Å; G120-G124 PolarHBondContact O-N 3.39Å
121A94.8Very high91Very high23 Ų2337.9 Ų37.919%0.1924%0.243CC..Hα-helixtrans-66.8-39.8177.900000112.5A94 C117 I118 G124 F125A94-A121 HydrophobicContact CB-CB 4.29Å; A94-A121 WeakPolarHBondContact O-CB 3.33Å; C117-A121 WeakPolarHBondContact O-CB 3.49Å; C117-A121 PolarHBondContact O-N 2.97Å; I118-A121 PolarHBondContact O-N 3.19Å; A121-G124 PolarHBondContact O-N 3.04Å; A121-F125 PolarHBondContact O-N 3.44Å
122T92.7Very high91.5Very high2 Ų238.5 Ų38.51%0.01225%0.246CC..Hα-helixtrans-63.6-45175.4-59.60000112I74 I75 I118 V119 G124 F125 S126I74-T122 HydrophobicContact CB-CG2 4.02Å; I74-T122 HydrophobicContact CD1-CG2 4.11Å; I74-T122 HydrophobicContact CG2-CG2 3.84Å; I75-T122 HydrophobicContact CG2-CG2 3.73Å; I118-T122 WeakPolarHBondContact O-CB 3.49Å; I118-T122 PolarHBondContact O-N 3Å; I118-T122 PolarHBondContact O-OG1 3.27Å; V119-T122 PolarHBondContact O-N 2.81Å; T122-G124 VanDerWaalsContact C-N 3.32Å; T122-G124 PolarHBondContact O-N 2.96Å; T122-F125 HydrophobicContact CG2-CE1 3.88Å; T122-F125 HydrophobicContact CG2-CZ 4.48Å; T122-F125 VanDerWaalsContact O-CD1 3.31Å; T122-F125 WeakPolarHBondContact O-CD1 3.4Å; T122-S126 WeakPolarHBondContact O-CB 3.32Å; T122-S126 PolarHBondContact O-N 3.21Å
123I93.6Very high91.7Very high26 Ų2645 Ų4513%0.13327%0.273CS..Hα-helixtrans-61.9-43.7173.5-66.9160.8000110.4I74 V119 S126 M127 V135 L140I74-I123 HydrophobicContact CG2-CD1 4.49Å; I74-I123 HydrophobicContact CG2-CG1 3.75Å; V119-I123 HydrophobicContact CG1-CD1 3.72Å; V119-I123 WeakPolarHBondContact O-CD1 3.45Å; V119-I123 VanDerWaalsContact O-CG1 3.23Å; V119-I123 WeakPolarHBondContact O-CG1 3.47Å; V119-I123 PolarHBondContact O-N 2.83Å; I123-S126 PolarHBondContact O-N 2.93Å; I123-M127 HydrophobicContact CG2-CG 4.27Å; I123-M127 HydrophobicContact CG2-SD 3.81Å; I123-M127 WeakPolarHBondContact O-CB 3.25Å; I123-M127 WeakPolarHBondContact O-CG 3.46Å; I123-M127 PolarHBondContact O-N 3.46Å; I123-V135 HydrophobicContact CG1-CG1 4.37Å; I123-V135 HydrophobicContact CG2-CG2 4.23Å; I123-L140 HydrophobicContact CD1-CD1 3.59Å; I123-L140 HydrophobicContact CD1-CD2 3.69Å; I123-L140 HydrophobicContact CD1-CG 4.29Å; I123-L140 HydrophobicContact CG1-CD2 4.44Å
124G94.3Very high91.6Very high35 Ų3543 Ų4336%0.36126%0.258SS..Hα-helixtrans-56.1-51.6-179.700000113G120 A121 T122 V128G120-G124 PolarHBondContact O-N 3.39Å; A121-G124 PolarHBondContact O-N 3.04Å; T122-G124 VanDerWaalsContact C-N 3.32Å; T122-G124 PolarHBondContact O-N 2.96Å; G124-V128 WeakPolarHBondContact O-CG2 3.45Å; G124-V128 PolarHBondContact O-N 3.12Å
125F93.4Very high91.8Very high23 Ų2343.1 Ų43.110%0.10126%0.259CS..Hα-helixtrans-67.3-39.9178.189.3-107.9000111.8I75 L87 G90 A94 A121 T122 M127 V128 A129I75-F125 HydrophobicContact CD1-CE2 4.45Å; I75-F125 HydrophobicContact CD1-CZ 3.77Å; L87-F125 HydrophobicContact CD1-CE2 4.27Å; L87-F125 HydrophobicContact CD1-CZ 4.22Å; G90-F125 VanDerWaalsContact CA-CD2 3.48Å; G90-F125 VanDerWaalsContact O-CD1 3.28Å; G90-F125 WeakPolarHBondContact O-CD1 3.37Å; G90-F125 WeakPolarHBondContact O-CE1 3.45Å; A94-F125 HydrophobicContact CB-CD1 3.96Å; A94-F125 HydrophobicContact CB-CE1 4.07Å; A121-F125 PolarHBondContact O-N 3.44Å; T122-F125 HydrophobicContact CG2-CE1 3.88Å; T122-F125 HydrophobicContact CG2-CZ 4.48Å; T122-F125 VanDerWaalsContact O-CD1 3.31Å; T122-F125 WeakPolarHBondContact O-CD1 3.4Å; F125-M127 VanDerWaalsContact C-N 3.32Å; F125-M127 PolarHBondContact O-N 2.92Å; F125-V128 PolarHBondContact O-N 3.29Å; F125-A129 WeakPolarHBondContact O-CB 3.4Å; F125-A129 PolarHBondContact O-N 3.49Å
126S92.3Very high91.9Very high0 Ų044.6 Ų44.60%026%0.264CS..Hα-helixtrans-66.2-37.5-176.7-166.80000111.8Y80 T122 I123 V128 A129 I130 G131 G134Y80-S126 WeakPolarHBondContact OH-CA 3.46Å; Y80-S126 PolarHBondContact OH-OG 3.45Å; Y80-S126 VanDerWaalsContact OH-OG 3.09Å; T122-S126 WeakPolarHBondContact O-CB 3.32Å; T122-S126 PolarHBondContact O-N 3.21Å; I123-S126 PolarHBondContact O-N 2.93Å; S126-V128 VanDerWaalsContact C-N 3.31Å; S126-V128 PolarHBondContact O-N 3.25Å; S126-A129 PolarHBondContact O-N 3.29Å; S126-I130 PolarHBondContact O-N 3.37Å; S126-G131 PolarHBondContact O-N 3.46Å; S126-G134 WeakPolarHBondContact OG-CA 3.39Å; S126-G134 PolarHBondContact OG-O 2.59Å
127M93.3Very high91.8Very high92 Ų9246.2 Ų46.245%0.45327%0.267SS..Hα-helixtrans-62.8-33.6170.3-78.9-17948.900113.4I123 F125 G131 V135I123-M127 HydrophobicContact CG2-CG 4.27Å; I123-M127 HydrophobicContact CG2-SD 3.81Å; I123-M127 WeakPolarHBondContact O-CB 3.25Å; I123-M127 WeakPolarHBondContact O-CG 3.46Å; I123-M127 PolarHBondContact O-N 3.46Å; F125-M127 VanDerWaalsContact C-N 3.32Å; F125-M127 PolarHBondContact O-N 2.92Å; M127-G131 WeakPolarHBondContact O-CA 3.36Å; M127-G131 PolarHBondContact O-N 2.89Å; M127-V135 HydrophobicContact CG-CG2 4.14Å
128V94.5Very high91.7Very high132 Ų13252.4 Ų52.480%0.830%0.295SS*.Hα-helixtrans-77.4-38.2176.8171.60000111.8G124 F125 S126G124-V128 WeakPolarHBondContact O-CG2 3.45Å; G124-V128 PolarHBondContact O-N 3.12Å; F125-V128 PolarHBondContact O-N 3.29Å; S126-V128 VanDerWaalsContact C-N 3.31Å; S126-V128 PolarHBondContact O-N 3.25Å
129A91.9Very high91.5Very high43 Ų4355.8 Ų55.836%0.35531%0.311SS..Hα-helixtrans-80.5-45.1-175.100000113.7Y80 I86 F125 S126Y80-A129 HydrophobicContact CE1-CB 4.03Å; I86-A129 HydrophobicContact CG2-CB 3.94Å; F125-A129 WeakPolarHBondContact O-CB 3.4Å; F125-A129 PolarHBondContact O-N 3.49Å; S126-A129 PolarHBondContact O-N 3.29Å
130I90Very high91.4Very high58 Ų5856.5 Ų56.530%0.29732%0.315SS..THydrogen-bonded Turntrans-123.2-10.5-171.9-59-64.8000112.1L79 Y80 S126L79-I130 HydrophobicContact CB-CG2 4.18Å; L79-I130 HydrophobicContact CD1-CG2 3.88Å; Y80-I130 HydrophobicContact CD1-CD1 4.37Å; Y80-I130 HydrophobicContact CD1-CG1 4.23Å; Y80-I130 HydrophobicContact CE1-CD1 4.11Å; Y80-I130 HydrophobicContact CE1-CG1 3.56Å; Y80-I130 HydrophobicContact CE2-CG1 3.9Å; Y80-I130 WeakPolarHBondContact OH-CG1 3.36Å; S126-I130 PolarHBondContact O-N 3.37Å
131G89.9Confident91.3Very high25 Ų2559.1 Ų59.126%0.25832%0.323SS..G310 helixtrans80.5-165.2-174.800000112.7S126 M127 K133 G134S126-G131 PolarHBondContact O-N 3.46Å; M127-G131 WeakPolarHBondContact O-CA 3.36Å; M127-G131 PolarHBondContact O-N 2.89Å; G131-K133 PolarHBondContact O-N 2.81Å; G131-G134 PolarHBondContact O-N 2.78Å
132T89.9Confident91.1Very high92 Ų9265.2 Ų65.256%0.56435%0.345SS*.G310 helixtrans-60.9-17.2-176.354.70000114.4W137T132-W137 HydrophobicContact CG2-CZ2 4.32Å; T132-W137 PolarHBondContact O-NE1 2.88Å
133K88.3Confident91Very high175 Ų17566.4 Ų66.476%0.76135%0.351SS*.G310 helixtrans-75.4-22.7175.7-63.5-177.9-178.3178.70113.3L79 G131 V135L79-K133 HydrophobicContact CD1-CB 4.4Å; L79-K133 VanDerWaalsContact CD1-O 3.27Å; L79-K133 WeakPolarHBondContact CD1-O 3.28Å; G131-K133 PolarHBondContact O-N 2.81Å; K133-V135 PolarHBondContact O-N 2.85Å
134G86.3Confident90.8Very high0 Ų067.6 Ų67.60%036%0.359CS..G310 helixtrans-72.7-7.4179.900000114.9I75 D76 S126 G131I75-G134 VanDerWaalsContact CA-O 3.25Å; I75-G134 WeakPolarHBondContact CA-O 3.37Å; I75-G134 WeakPolarHBondContact CB-O 3.26Å; D76-G134 PolarHBondContact N-O 3.43Å; D76-G134 VanDerWaalsContact N-O 3.09Å; S126-G134 WeakPolarHBondContact OG-CA 3.39Å; S126-G134 PolarHBondContact OG-O 2.59Å; G131-G134 PolarHBondContact O-N 2.78Å
135V91.4Very high90.8Very high6 Ų667.9 Ų67.94%0.03636%0.358CS..BIsolated β-bridgetrans-114.5130.6-173.1-179.60000110.3I123 M127 K133 W137 L140I123-V135 HydrophobicContact CG1-CG1 4.37Å; I123-V135 HydrophobicContact CG2-CG2 4.23Å; M127-V135 HydrophobicContact CG-CG2 4.14Å; K133-V135 PolarHBondContact O-N 2.85Å; V135-W137 HydrophobicContact CB-CZ2 4.28Å; V135-W137 HydrophobicContact CG1-CD2 4.38Å; V135-W137 HydrophobicContact CG1-CZ2 4.45Å; V135-W137 PolarHBondContact O-N 2.9Å; V135-W137 PolarHBondContact O-NE1 3.32Å; V135-L140 HydrophobicContact CG1-CD2 4.21Å
136Q89.8Confident90.6Very high56 Ų5669.2 Ų69.226%0.26237%0.37SS..  trans-82.878.1178.7-60.8-163.943.600111K72 I74 I75 D76 M138 Q139 L140K72-Q136 PolarHBondContact O-NE2 3.36Å; K72-Q136 VanDerWaalsContact O-NE2 3.15Å; I74-Q136 PolarHBondContact O-N 3.49Å; I75-Q136 PolarHBondContact O-NE2 2.95Å; D76-Q136 HydrophobicContact CB-CG 4.26Å; Q136-M138 VanDerWaalsContact C-N 3.26Å; Q136-M138 PolarHBondContact O-N 3.47Å; Q136-M138 VanDerWaalsContact O-N 3.09Å; Q136-Q139 HydrophobicContact CB-CB 4.06Å; Q136-Q139 HydrophobicContact CB-CG 4.01Å; Q136-Q139 WeakPolarHBondContact O-CA 3.39Å; Q136-Q139 WeakPolarHBondContact O-CB 3.26Å; Q136-Q139 PolarHBondContact O-N 2.81Å; Q136-L140 PolarHBondContact O-N 3.36Å
137W90Very high90.5Very high120 Ų12072.7 Ų72.746%0.45538%0.383SS..Hα-helixtrans-49.7-39.2-174.3-63.397000114.9T132 V135 Q139 L140 V141T132-W137 HydrophobicContact CG2-CZ2 4.32Å; T132-W137 PolarHBondContact O-NE1 2.88Å; V135-W137 HydrophobicContact CB-CZ2 4.28Å; V135-W137 HydrophobicContact CG1-CD2 4.38Å; V135-W137 HydrophobicContact CG1-CZ2 4.45Å; V135-W137 PolarHBondContact O-N 2.9Å; V135-W137 PolarHBondContact O-NE1 3.32Å; W137-Q139 VanDerWaalsContact C-N 3.33Å; W137-Q139 PolarHBondContact O-N 3.28Å; W137-L140 HydrophobicContact CE3-CD2 4.09Å; W137-L140 HydrophobicContact CZ3-CD2 4.08Å; W137-L140 PolarHBondContact O-N 3.31Å; W137-V141 WeakPolarHBondContact O-CG2 3.26Å; W137-V141 PolarHBondContact O-N 3.29Å
138M90.8Very high90.5Very high148 Ų14875.8 Ų75.873%0.72940%0.395SS*.Hα-helixtrans-71.9-24.3178.2-66.7-61.6-74.100113.7Q136 K142Q136-M138 VanDerWaalsContact C-N 3.26Å; Q136-M138 PolarHBondContact O-N 3.47Å; Q136-M138 VanDerWaalsContact O-N 3.09Å; M138-K142 WeakPolarHBondContact O-CG 3.47Å
139Q88.6Confident90.4Very high71 Ų7174.3 Ų74.333%0.33238%0.381SS..Hα-helixtrans-78.8-42.7169.1-61.8-144.746.200110.4G73 Q136 W137 V141 K142 I143G73-Q139 WeakPolarHBondContact O-CB 3.38Å; G73-Q139 PolarHBondContact O-OE1 3.07Å; Q136-Q139 HydrophobicContact CB-CB 4.06Å; Q136-Q139 HydrophobicContact CB-CG 4.01Å; Q136-Q139 WeakPolarHBondContact O-CA 3.39Å; Q136-Q139 WeakPolarHBondContact O-CB 3.26Å; Q136-Q139 PolarHBondContact O-N 2.81Å; W137-Q139 VanDerWaalsContact C-N 3.33Å; W137-Q139 PolarHBondContact O-N 3.28Å; Q139-V141 VanDerWaalsContact C-N 3.32Å; Q139-V141 PolarHBondContact O-N 3.43Å; Q139-K142 WeakPolarHBondContact O-CB 3.44Å; Q139-K142 PolarHBondContact O-N 3.22Å; Q139-I143 WeakPolarHBondContact O-CG1 3.44Å; Q139-I143 PolarHBondContact O-N 2.99Å
140L89.9Confident90.3Very high20 Ų2075.4 Ų75.411%0.10539%0.387CS..Hα-helixtrans-57.1-43175.6-178.956.5000112.3V119 I123 V135 Q136 W137 K142 I143 V144V119-L140 HydrophobicContact CG1-CD1 4.15Å; I123-L140 HydrophobicContact CD1-CD1 3.59Å; I123-L140 HydrophobicContact CD1-CD2 3.69Å; I123-L140 HydrophobicContact CD1-CG 4.29Å; I123-L140 HydrophobicContact CG1-CD2 4.44Å; V135-L140 HydrophobicContact CG1-CD2 4.21Å; Q136-L140 PolarHBondContact O-N 3.36Å; W137-L140 HydrophobicContact CE3-CD2 4.09Å; W137-L140 HydrophobicContact CZ3-CD2 4.08Å; W137-L140 PolarHBondContact O-N 3.31Å; L140-K142 VanDerWaalsContact C-N 3.3Å; L140-K142 PolarHBondContact O-N 2.88Å; L140-I143 PolarHBondContact O-N 3.32Å; L140-V144 HydrophobicContact CD1-CG2 4.04Å; L140-V144 HydrophobicContact CG-CG2 4.37Å; L140-V144 WeakPolarHBondContact O-CG2 3.08Å; L140-V144 PolarHBondContact O-N 3.02Å
141V92Very high90.4Very high94 Ų9476.7 Ų76.757%0.5740%0.399SS*.Hα-helixtrans-60.9-37175.1168.70000111.9W137 Q139 A145W137-V141 WeakPolarHBondContact O-CG2 3.26Å; W137-V141 PolarHBondContact O-N 3.29Å; Q139-V141 VanDerWaalsContact C-N 3.32Å; Q139-V141 PolarHBondContact O-N 3.43Å; V141-A145 VanDerWaalsContact O-CB 3.24Å; V141-A145 WeakPolarHBondContact O-CB 3.05Å; V141-A145 PolarHBondContact O-N 3.33Å
142K90.2Very high90.5Very high151 Ų15181.9 Ų81.966%0.65742%0.42SS*.Hα-helixtrans-67.6-40.1174.7-67.4170.8-177.2179.40112M138 Q139 L140 S146M138-K142 WeakPolarHBondContact O-CG 3.47Å; Q139-K142 WeakPolarHBondContact O-CB 3.44Å; Q139-K142 PolarHBondContact O-N 3.22Å; L140-K142 VanDerWaalsContact C-N 3.3Å; L140-K142 PolarHBondContact O-N 2.88Å; K142-S146 PolarHBondContact O-N 3.08Å
143I89.7Confident90.6Very high27 Ų2781.9 Ų81.914%0.13842%0.416CS..Hα-helixtrans-64.1-49.9175.8-65.9167.4000110I74 Q139 L140 A145 S146 W147I74-I143 HydrophobicContact CG1-CD1 4.34Å; Q139-I143 WeakPolarHBondContact O-CG1 3.44Å; Q139-I143 PolarHBondContact O-N 2.99Å; L140-I143 PolarHBondContact O-N 3.32Å; I143-A145 VanDerWaalsContact C-N 3.33Å; I143-A145 PolarHBondContact O-N 3.47Å; I143-S146 PolarHBondContact O-N 3.23Å; I143-S146 VanDerWaalsContact O-N 3.1Å; I143-S146 PolarHBondContact O-OG 3.26Å; I143-W147 HydrophobicContact CG2-CZ2 3.55Å; I143-W147 VanDerWaalsContact O-CD1 3.24Å; I143-W147 PolarHBondContact O-N 3.41Å
144V91.1Very high90.7Very high52 Ų5277.3 Ų77.332%0.31541%0.406SS..Hα-helixtrans-62.2-40.2177.8173.60000111.3L140 S146 W147 F148L140-V144 HydrophobicContact CD1-CG2 4.04Å; L140-V144 HydrophobicContact CG-CG2 4.37Å; L140-V144 WeakPolarHBondContact O-CG2 3.08Å; L140-V144 PolarHBondContact O-N 3.02Å; V144-S146 VanDerWaalsContact C-N 3.31Å; V144-S146 PolarHBondContact O-N 3.24Å; V144-W147 HydrophobicContact CG2-CE3 4.15Å; V144-W147 HydrophobicContact CG2-CZ3 4.01Å; V144-W147 WeakPolarHBondContact O-CB 3.33Å; V144-W147 PolarHBondContact O-N 3.09Å; V144-F148 HydrophobicContact CG1-CD2 4.4Å; V144-F148 HydrophobicContact CG1-CE2 3.92Å; V144-F148 VanDerWaalsContact O-CD2 3.25Å; V144-F148 WeakPolarHBondContact O-CD2 3.43Å
145A92.6Very high91Very high41 Ų4179.5 Ų79.534%0.33943%0.428SS..Hα-helixtrans-61.1-39174.300000112.2V141 I143 W147 F148 I149V141-A145 VanDerWaalsContact O-CB 3.24Å; V141-A145 WeakPolarHBondContact O-CB 3.05Å; V141-A145 PolarHBondContact O-N 3.33Å; I143-A145 VanDerWaalsContact C-N 3.33Å; I143-A145 PolarHBondContact O-N 3.47Å; A145-W147 VanDerWaalsContact C-N 3.28Å; A145-W147 PolarHBondContact O-N 2.91Å; A145-F148 PolarHBondContact O-N 3.38Å; A145-I149 HydrophobicContact CB-CD1 4.32Å; A145-I149 WeakPolarHBondContact O-CB 3.4Å; A145-I149 WeakPolarHBondContact O-CD1 3.46Å; A145-I149 VanDerWaalsContact O-CG1 3.26Å; A145-I149 WeakPolarHBondContact O-CG1 3.24Å; A145-I149 PolarHBondContact O-N 3.43Å
146S90.3Very high91.1Very high50 Ų5084.6 Ų84.635%0.3545%0.454SS..Hα-helixtrans-65.7-31177.582.60000112.5K142 I143 V144 F148 I149 S150K142-S146 PolarHBondContact O-N 3.08Å; I143-S146 PolarHBondContact O-N 3.23Å; I143-S146 VanDerWaalsContact O-N 3.1Å; I143-S146 PolarHBondContact O-OG 3.26Å; V144-S146 VanDerWaalsContact C-N 3.31Å; V144-S146 PolarHBondContact O-N 3.24Å; S146-F148 VanDerWaalsContact C-N 3.28Å; S146-F148 PolarHBondContact O-N 2.88Å; S146-I149 PolarHBondContact O-N 3.41Å; S146-S150 VanDerWaalsContact O-CB 3.27Å; S146-S150 WeakPolarHBondContact O-CB 3.3Å; S146-S150 PolarHBondContact O-N 2.94Å; S146-S150 PolarHBondContact O-OG 3.13Å
147W90.6Very high91.1Very high73 Ų7386.7 Ų86.728%0.27747%0.466SS..Hα-helixtrans-64.3-27.7175.4-57.7-14.3000113.8H116 V119 I143 V144 A145 P151H116-W147 HydrophobicContact CB-CH2 4.47Å; H116-W147 AromaticContact CD2-CD2 3.47Å; H116-W147 VanDerWaalsContact CD2-CD2 3.47Å; H116-W147 AromaticContact CD2-CE2 3.32Å; H116-W147 AromaticContact CD2-CE3 3.71Å; H116-W147 AromaticContact CD2-CH2 3.71Å; H116-W147 AromaticContact CD2-CZ2 3.46Å; H116-W147 VanDerWaalsContact CD2-CZ2 3.46Å; H116-W147 WeakPolarHBondContact CD2-CZ2 3.44Å; H116-W147 AromaticContact CD2-CZ3 3.83Å; H116-W147 AromaticContact CD2-NE1 3.85Å; H116-W147 AromaticContact NE2-CD1 3.85Å; H116-W147 AromaticContact NE2-CD2 3.29Å; H116-W147 VanDerWaalsContact NE2-CD2 3.29Å; H116-W147 AromaticContact NE2-CE2 3.61Å; H116-W147 AromaticContact NE2-CE3 3.65Å; H116-W147 AromaticContact NE2-CG 3.49Å; H116-W147 AromaticContact NE2-NE1 3.91Å; V119-W147 HydrophobicContact CB-CH2 4.37Å; V119-W147 HydrophobicContact CB-CZ2 4.2Å; V119-W147 HydrophobicContact CG1-CH2 4.06Å; V119-W147 HydrophobicContact CG1-CZ2 4.09Å; V119-W147 HydrophobicContact CG2-CZ2 4.27Å; I143-W147 HydrophobicContact CG2-CZ2 3.55Å; I143-W147 VanDerWaalsContact O-CD1 3.24Å; I143-W147 PolarHBondContact O-N 3.41Å; V144-W147 HydrophobicContact CG2-CE3 4.15Å; V144-W147 HydrophobicContact CG2-CZ3 4.01Å; V144-W147 WeakPolarHBondContact O-CB 3.33Å; V144-W147 PolarHBondContact O-N 3.09Å; A145-W147 VanDerWaalsContact C-N 3.28Å; A145-W147 PolarHBondContact O-N 2.91Å; W147-P151 WeakPolarHBondContact O-CD 3.33Å; W147-P151 VanDerWaalsContact O-CG 3.3Å; W147-P151 WeakPolarHBondContact O-CG 3.34Å
148F92.1Very high91.1Very high158 Ų15884.6 Ų84.669%0.69347%0.469SS*.Hα-helixtrans-89.9-39.2173.2-66.7-77.5000112.7V144 A145 S146 L152V144-F148 HydrophobicContact CG1-CD2 4.4Å; V144-F148 HydrophobicContact CG1-CE2 3.92Å; V144-F148 VanDerWaalsContact O-CD2 3.25Å; V144-F148 WeakPolarHBondContact O-CD2 3.43Å; A145-F148 PolarHBondContact O-N 3.38Å; S146-F148 VanDerWaalsContact C-N 3.28Å; S146-F148 PolarHBondContact O-N 2.88Å; F148-L152 WeakPolarHBondContact O-CB 3.1Å
149I92.8Very high91.1Very high100 Ų10079.2 Ų79.251%0.51345%0.452SS..Hα-helixtrans-69.2-37.6-177.7-67.1165.7000111.2A145 S146 L152 L153A145-I149 HydrophobicContact CB-CD1 4.32Å; A145-I149 WeakPolarHBondContact O-CB 3.4Å; A145-I149 WeakPolarHBondContact O-CD1 3.46Å; A145-I149 VanDerWaalsContact O-CG1 3.26Å; A145-I149 WeakPolarHBondContact O-CG1 3.24Å; A145-I149 PolarHBondContact O-N 3.43Å; S146-I149 PolarHBondContact O-N 3.41Å; I149-L152 PolarHBondContact O-N 3.42Å; I149-L153 VanDerWaalsContact O-CB 3.26Å; I149-L153 WeakPolarHBondContact O-CB 3.16Å; I149-L153 PolarHBondContact O-N 3.37Å
150S90.1Very high91.2Very high67 Ų6780.1 Ų80.147%0.46946%0.458SS..Hα-helixtrans-69.3-46.1-172.8-48.70000113.2S146 L153 S154S146-S150 VanDerWaalsContact O-CB 3.27Å; S146-S150 WeakPolarHBondContact O-CB 3.3Å; S146-S150 PolarHBondContact O-N 2.94Å; S146-S150 PolarHBondContact O-OG 3.13Å; S150-L153 PolarHBondContact O-N 3.43Å; S150-S154 WeakPolarHBondContact O-CB 3.33Å; S150-S154 PolarHBondContact O-N 2.92Å
151P91.1Very high91.1Very high85 Ų8583.1 Ų83.155%0.55247%0.474SS*.Hα-helixtrans-63.9-39.2173.2-22.635.3000112.7W147 S154 G155W147-P151 WeakPolarHBondContact O-CD 3.33Å; W147-P151 VanDerWaalsContact O-CG 3.3Å; W147-P151 WeakPolarHBondContact O-CG 3.34Å; P151-S154 PolarHBondContact O-N 3.13Å; P151-G155 PolarHBondContact O-N 2.88Å
152L93.8Very high90.9Very high134 Ų13483.2 Ų83.270%0.70247%0.467SS*.Hα-helixtrans-62.7-47.4177.6179.264.2000111.7F148 I149 G155 L156F148-L152 WeakPolarHBondContact O-CB 3.1Å; I149-L152 PolarHBondContact O-N 3.42Å; L152-G155 PolarHBondContact O-N 3.25Å; L152-L156 WeakPolarHBondContact O-CB 3.4Å; L152-L156 PolarHBondContact O-N 2.65Å
153L91.3Very high90.8Very high92 Ų9282.7 Ų82.748%0.48247%0.468SS..Hα-helixtrans-67.9-38.7178.2-172.966000111.5I149 S150 L156 M157I149-L153 VanDerWaalsContact O-CB 3.26Å; I149-L153 WeakPolarHBondContact O-CB 3.16Å; I149-L153 PolarHBondContact O-N 3.37Å; S150-L153 PolarHBondContact O-N 3.43Å; L153-L156 PolarHBondContact O-N 3.42Å; L153-M157 HydrophobicContact CD1-CE 4.28Å; L153-M157 WeakPolarHBondContact O-CB 3.38Å; L153-M157 VanDerWaalsContact O-CG 3.27Å; L153-M157 WeakPolarHBondContact O-CG 3.32Å; L153-M157 PolarHBondContact O-N 2.85Å
154S90.1Very high90.7Very high79 Ų7985.2 Ų85.255%0.55248%0.482SS*.Hα-helixtrans-62.8-44.8174.6-172.70000111.6S150 P151 M157 S158S150-S154 WeakPolarHBondContact O-CB 3.33Å; S150-S154 PolarHBondContact O-N 2.92Å; P151-S154 PolarHBondContact O-N 3.13Å; S154-M157 PolarHBondContact O-N 3.09Å; S154-S158 VanDerWaalsContact O-CB 3.23Å; S154-S158 WeakPolarHBondContact O-CB 3.3Å; S154-S158 PolarHBondContact O-N 3.03Å
155G91.9Very high90.4Very high45 Ų4583.9 Ų83.946%0.46447%0.473SS..Hα-helixtrans-61.7-45.2175.100000112.7P151 L152 S158 G159P151-G155 PolarHBondContact O-N 2.88Å; L152-G155 PolarHBondContact O-N 3.25Å; G155-S158 PolarHBondContact O-N 3.17Å; G155-G159 PolarHBondContact O-N 2.9Å
156L94.2Very high90Very high113 Ų11388.6 Ų88.659%0.59248%0.482SS*.Hα-helixtrans-61.8-45175.8-179.164.7000112.1L152 L153 G159 L160L152-L156 WeakPolarHBondContact O-CB 3.4Å; L152-L156 PolarHBondContact O-N 2.65Å; L153-L156 PolarHBondContact O-N 3.42Å; L156-G159 PolarHBondContact O-N 3Å; L156-L160 WeakPolarHBondContact O-CB 3.32Å; L156-L160 PolarHBondContact O-N 2.8Å
157M89.9Confident89.8Confident101 Ų10191.9 Ų91.950%0.49849%0.491SS..Hα-helixtrans-69.1-39.1179.1-73.4-67.1152.200112.3L153 S154 L160 L161L153-M157 HydrophobicContact CD1-CE 4.28Å; L153-M157 WeakPolarHBondContact O-CB 3.38Å; L153-M157 VanDerWaalsContact O-CG 3.27Å; L153-M157 WeakPolarHBondContact O-CG 3.32Å; L153-M157 PolarHBondContact O-N 2.85Å; S154-M157 PolarHBondContact O-N 3.09Å; M157-L160 PolarHBondContact O-N 3.16Å; M157-L161 WeakPolarHBondContact O-CB 3.37Å; M157-L161 PolarHBondContact O-N 3.35Å
158S89.1Confident89.4Confident75 Ų7594.4 Ų94.452%0.52451%0.505SS..Hα-helixtrans-63-45.7174.2-1710000111.1S154 G155 L161 F162S154-S158 VanDerWaalsContact O-CB 3.23Å; S154-S158 WeakPolarHBondContact O-CB 3.3Å; S154-S158 PolarHBondContact O-N 3.03Å; G155-S158 PolarHBondContact O-N 3.17Å; S158-L161 PolarHBondContact O-N 3.4Å; S158-F162 VanDerWaalsContact O-CB 3.32Å; S158-F162 WeakPolarHBondContact O-CB 3.38Å; S158-F162 PolarHBondContact O-N 2.94Å
159G90.9Very high89Confident35 Ų3587.2 Ų87.236%0.36147%0.473SS..Hα-helixtrans-60.9-45.7175.100000112.9G155 L156 F162 M163G155-G159 PolarHBondContact O-N 2.9Å; L156-G159 PolarHBondContact O-N 3Å; G159-F162 PolarHBondContact O-N 2.82Å; G159-M163 WeakPolarHBondContact O-CG 3.46Å; G159-M163 PolarHBondContact O-N 3.34Å
160L91.7Very high88.3Confident91 Ų9184.9 Ų84.948%0.47646%0.462SS..Hα-helixtrans-62.4-45.2175.9-176.5150.7000111.6L156 M157 M163 L164L156-L160 WeakPolarHBondContact O-CB 3.32Å; L156-L160 PolarHBondContact O-N 2.8Å; M157-L160 PolarHBondContact O-N 3.16Å; L160-M163 PolarHBondContact O-N 3.47Å; L160-L164 HydrophobicContact CD2-CD1 3.63Å; L160-L164 HydrophobicContact CD2-CG 4.28Å; L160-L164 WeakPolarHBondContact O-CG 3.45Å; L160-L164 PolarHBondContact O-N 3.37Å
161L88Confident87.9Confident82 Ų8286.6 Ų86.643%0.42947%0.465SS..Hα-helixtrans-62.5-43177.7-174.466.3000111.5M157 S158 L164 I165 F186M157-L161 WeakPolarHBondContact O-CB 3.37Å; M157-L161 PolarHBondContact O-N 3.35Å; S158-L161 PolarHBondContact O-N 3.4Å; L161-L164 PolarHBondContact O-N 2.82Å; L161-I165 HydrophobicContact CD1-CD1 4.48Å; L161-I165 HydrophobicContact CG-CD1 4.03Å; L161-I165 WeakPolarHBondContact O-CG1 3.48Å; L161-I165 PolarHBondContact O-N 3.37Å; L161-F186 HydrophobicContact CD1-CE1 3.94Å
162F87.2Confident87.3Confident96 Ų9687.5 Ų87.542%0.42146%0.461SS..Hα-helixtrans-64-43.2175.8-178-102.6000111.8S158 G159 L164 I165 R166S158-F162 VanDerWaalsContact O-CB 3.32Å; S158-F162 WeakPolarHBondContact O-CB 3.38Å; S158-F162 PolarHBondContact O-N 2.94Å; G159-F162 PolarHBondContact O-N 2.82Å; F162-L164 VanDerWaalsContact C-N 3.33Å; F162-L164 PolarHBondContact O-N 3.28Å; F162-I165 PolarHBondContact O-N 2.97Å; F162-R166 WeakPolarHBondContact O-CB 3.45Å; F162-R166 PolarHBondContact O-N 3Å
163M88.2Confident86.1Confident140 Ų14088.1 Ų88.169%0.6947%0.465SS*.Hα-helixtrans-61.2-40.2174.3-73-169.88200112.3G159 L160 H167G159-M163 WeakPolarHBondContact O-CG 3.46Å; G159-M163 PolarHBondContact O-N 3.34Å; L160-M163 PolarHBondContact O-N 3.47Å; M163-H167 VanDerWaalsContact O-CB 3.3Å; M163-H167 WeakPolarHBondContact O-CB 3.3Å; M163-H167 PolarHBondContact O-N 3.42Å
164L87.4Confident85.1Confident80 Ų8089.4 Ų89.442%0.41947%0.472SS..Hα-helixtrans-64-47.4174-69.1174.8000111.6L160 L161 F162 R166 H167 F168L160-L164 HydrophobicContact CD2-CD1 3.63Å; L160-L164 HydrophobicContact CD2-CG 4.28Å; L160-L164 WeakPolarHBondContact O-CG 3.45Å; L160-L164 PolarHBondContact O-N 3.37Å; L161-L164 PolarHBondContact O-N 2.82Å; F162-L164 VanDerWaalsContact C-N 3.33Å; F162-L164 PolarHBondContact O-N 3.28Å; L164-R166 PolarHBondContact O-N 2.86Å; L164-H167 PolarHBondContact O-N 3.49Å; L164-F168 HydrophobicContact CB-CD2 4.43Å; L164-F168 HydrophobicContact CD2-CD2 4.16Å; L164-F168 HydrophobicContact CD2-CE2 3.77Å; L164-F168 WeakPolarHBondContact O-CB 3.45Å; L164-F168 WeakPolarHBondContact O-CD2 3.38Å; L164-F168 PolarHBondContact O-N 3.15Å
165I85.6Confident84.4Confident25 Ų2586 Ų8613%0.12845%0.448CS..Hα-helixtrans-59.7-46.1177-72.5166.8000110.7L161 F162 H167 I169 L170 F186 F512L161-I165 HydrophobicContact CD1-CD1 4.48Å; L161-I165 HydrophobicContact CG-CD1 4.03Å; L161-I165 WeakPolarHBondContact O-CG1 3.48Å; L161-I165 PolarHBondContact O-N 3.37Å; F162-I165 PolarHBondContact O-N 2.97Å; I165-H167 PolarHBondContact O-N 3.4Å; I165-I169 HydrophobicContact CG1-CD1 4.48Å; I165-I169 HydrophobicContact CG2-CD1 4.37Å; I165-I169 WeakPolarHBondContact O-CA 3.36Å; I165-I169 VanDerWaalsContact O-CB 3.29Å; I165-I169 WeakPolarHBondContact O-CB 3.23Å; I165-I169 PolarHBondContact O-N 3.24Å; I165-L170 HydrophobicContact CG2-CD1 4.37Å; I165-L170 HydrophobicContact CG2-CG 4.36Å; I165-L170 PolarHBondContact O-N 3.34Å; I165-F186 HydrophobicContact CD1-CZ 4.21Å; I165-F186 HydrophobicContact CG1-CZ 3.85Å; I165-F512 HydrophobicContact CG2-CE1 4.11Å; I165-F512 HydrophobicContact CG2-CZ 3.83Å
166R84.6Confident83.6Confident140 Ų14084.8 Ų84.853%0.52843%0.432SS..Iπ-helixtrans-60.9-46.6178.3-171.8174.5-178.3-178.92111.6F162 L164 L170 N171F162-R166 WeakPolarHBondContact O-CB 3.45Å; F162-R166 PolarHBondContact O-N 3Å; L164-R166 PolarHBondContact O-N 2.86Å; R166-L170 PolarHBondContact O-N 2.75Å; R166-N171 WeakPolarHBondContact CG-OD1 3.32Å; R166-N171 WeakPolarHBondContact O-CB 3.4Å; R166-N171 PolarHBondContact O-N 3.03Å; R166-N171 PolarHBondContact O-OD1 2.99Å
167H85Confident82.9Confident119 Ų11982 Ų8255%0.55142%0.42SS*.Iπ-helixtrans-71.1-41.3-178.3-172.181.2000113.8M163 L164 I165M163-H167 VanDerWaalsContact O-CB 3.3Å; M163-H167 WeakPolarHBondContact O-CB 3.3Å; M163-H167 PolarHBondContact O-N 3.42Å; L164-H167 PolarHBondContact O-N 3.49Å; I165-H167 PolarHBondContact O-N 3.4Å
168F82.6Confident82.5Confident126 Ų12679.4 Ų79.455%0.55341%0.409SS*.Iπ-helixtrans-94-21.9-173.4-72.4-71000114.9L164L164-F168 HydrophobicContact CB-CD2 4.43Å; L164-F168 HydrophobicContact CD2-CD2 4.16Å; L164-F168 HydrophobicContact CD2-CE2 3.77Å; L164-F168 WeakPolarHBondContact O-CB 3.45Å; L164-F168 WeakPolarHBondContact O-CD2 3.38Å; L164-F168 PolarHBondContact O-N 3.15Å
169I82.9Confident82.1Confident6 Ų676 Ų763%0.03139%0.385CS..Iπ-helixtrans-119-52.6-174.7-53.2176.1000111.8I165 S175 A182 F186 F512I165-I169 HydrophobicContact CG1-CD1 4.48Å; I165-I169 HydrophobicContact CG2-CD1 4.37Å; I165-I169 WeakPolarHBondContact O-CA 3.36Å; I165-I169 VanDerWaalsContact O-CB 3.29Å; I165-I169 WeakPolarHBondContact O-CB 3.23Å; I165-I169 PolarHBondContact O-N 3.24Å; I169-S175 WeakPolarHBondContact O-CA 3.49Å; I169-S175 WeakPolarHBondContact O-CB 3.44Å; I169-A182 HydrophobicContact CD1-CB 3.79Å; I169-A182 HydrophobicContact CG1-CB 4.38Å; I169-F186 HydrophobicContact CD1-CE2 4Å; I169-F186 HydrophobicContact CD1-CZ 4.37Å; I169-F512 HydrophobicContact CG2-CE2 4.47Å; I169-F512 HydrophobicContact CG2-CZ 4.37Å
170L79Confident81.7Confident52 Ų5275 Ų7527%0.27237%0.371SS..Iπ-helixtrans-79.4-45.8-170.5-58176.4000113.2I165 R166 K172 V508 F512I165-L170 HydrophobicContact CG2-CD1 4.37Å; I165-L170 HydrophobicContact CG2-CG 4.36Å; I165-L170 PolarHBondContact O-N 3.34Å; R166-L170 PolarHBondContact O-N 2.75Å; L170-K172 PolarHBondContact O-N 3.2Å; L170-V508 HydrophobicContact CD2-CG1 4.12Å; L170-F512 HydrophobicContact CD2-CE2 3.94Å; L170-F512 HydrophobicContact CD2-CZ 4.27Å
171N80.6Confident81.3Confident103 Ų10378.1 Ų78.155%0.55138%0.377SS*.THydrogen-bonded Turntrans-77.130.4-178.9-68.919.2000113.6R166R166-N171 WeakPolarHBondContact CG-OD1 3.32Å; R166-N171 WeakPolarHBondContact O-CB 3.4Å; R166-N171 PolarHBondContact O-N 3.03Å; R166-N171 PolarHBondContact O-OD1 2.99Å
172K79.2Confident81.2Confident103 Ų10375.3 Ų75.345%0.44837%0.365SS..SBendtrans-121.5138.5177.7-71.6-61.6-176-170.40110.4L170 D174 S175L170-K172 PolarHBondContact O-N 3.2Å; K172-D174 VanDerWaalsContact C-N 3.26Å; K172-D174 PolarHBondContact O-N 2.87Å; K172-S175 PolarHBondContact O-N 3.5Å
173D68.5Low81Confident148 Ų14870.9 Ų70.979%0.79135%0.346SS*.SBendtrans-51.3-48.1-174.3-44.6-72000111.5K505D173-K505 PolarHBondContact O-NZ 3.05Å
174D71.4Confident81.1Confident119 Ų11964.6 Ų64.664%0.63632%0.315SS*.SBendtrans-10494.4167-76.3-28.7000110.9K172 P177 N178K172-D174 VanDerWaalsContact C-N 3.26Å; K172-D174 PolarHBondContact O-N 2.87Å; D174-P177 HydrophobicContact CB-CG 3.81Å; D174-N178 PolarHBondContact O-ND2 3Å
175S74.6Confident81.1Confident7 Ų765.2 Ų65.25%0.04932%0.322CS..Hα-helixtrans-73.9-35.2179.254.50000113.4I169 K172 N178 G179 V508I169-S175 WeakPolarHBondContact O-CA 3.49Å; I169-S175 WeakPolarHBondContact O-CB 3.44Å; K172-S175 PolarHBondContact O-N 3.5Å; S175-N178 PolarHBondContact O-N 2.88Å; S175-G179 PolarHBondContact O-N 2.84Å; S175-V508 WeakPolarHBondContact OG-CG2 3.37Å
176V75.1Confident81.2Confident19 Ų1966.2 Ų66.212%0.11533%0.326CS..Hα-helixtrans-57.1-53.4-176.7-177.40000114.7N178 G179 L180 I243 E507V176-N178 VanDerWaalsContact C-N 3.26Å; V176-N178 PolarHBondContact O-N 3.42Å; V176-G179 PolarHBondContact O-N 3.01Å; V176-L180 HydrophobicContact CG1-CD1 4.01Å; V176-L180 HydrophobicContact CG1-CG 4.43Å; V176-L180 WeakPolarHBondContact O-CB 3.49Å; V176-L180 WeakPolarHBondContact O-CG 3.3Å; V176-L180 PolarHBondContact O-N 3.37Å; V176-I243 HydrophobicContact CG1-CD1 4.25Å; V176-E507 HydrophobicContact CG2-CB 3.32Å; V176-E507 HydrophobicContact CG2-CG 4.19Å; V176-E507 WeakPolarHBondContact CG2-OE2 3.33Å
177P79.6Confident81.3Confident54 Ų5460.4 Ų60.435%0.35130%0.304SS..Hα-helixtrans-66.2-29.8-179.126.7-35.4000112.5D174 R181D174-P177 HydrophobicContact CB-CG 3.81Å; P177-R181 WeakPolarHBondContact O-CD 3.46Å; P177-R181 VanDerWaalsContact O-CG 3.25Å; P177-R181 WeakPolarHBondContact O-CG 3.4Å; P177-R181 PolarHBondContact O-N 3.04Å
178N81.3Confident81.5Confident48 Ų4855.2 Ų55.226%0.25728%0.282SS..Hα-helixtrans-73.9-43.1176.6-66.5-43.1000111D174 S175 V176 R181 A182D174-N178 PolarHBondContact O-ND2 3Å; S175-N178 PolarHBondContact O-N 2.88Å; V176-N178 VanDerWaalsContact C-N 3.26Å; V176-N178 PolarHBondContact O-N 3.42Å; N178-R181 WeakPolarHBondContact O-CB 3.18Å; N178-R181 PolarHBondContact O-N 3.39Å; N178-R181 VanDerWaalsContact O-N 3.12Å; N178-A182 PolarHBondContact O-N 2.93Å
179G79.9Confident81.8Confident2 Ų252.8 Ų52.82%0.02128%0.277CS..Hα-helixtrans-59.1-47171.800000113.2S175 V176 R181 A182 L183S175-G179 PolarHBondContact O-N 2.84Å; V176-G179 PolarHBondContact O-N 3.01Å; G179-R181 PolarHBondContact O-N 3.13Å; G179-A182 PolarHBondContact O-N 3.09Å; G179-L183 PolarHBondContact O-N 3.42Å
180L82.5Confident81.9Confident15 Ų1554.3 Ų54.38%0.07929%0.287CS..Hα-helixtrans-61.3-26.5174.4-72.3173000113.4V176 L183 C236 M239 R240 I243 L511V176-L180 HydrophobicContact CG1-CD1 4.01Å; V176-L180 HydrophobicContact CG1-CG 4.43Å; V176-L180 WeakPolarHBondContact O-CB 3.49Å; V176-L180 WeakPolarHBondContact O-CG 3.3Å; V176-L180 PolarHBondContact O-N 3.37Å; L180-L183 HydrophobicContact CD2-CD1 3.95Å; L180-C236 PolarHBondContact O-SG 3.35Å; L180-M239 HydrophobicContact CD2-CB 3.83Å; L180-R240 HydrophobicContact CD1-CB 4.03Å; L180-R240 HydrophobicContact CD1-CG 4.26Å; L180-I243 HydrophobicContact CD2-CD1 4.42Å; L180-L511 HydrophobicContact CD2-CD1 3.85Å; L180-L511 HydrophobicContact CG-CD1 4.17Å
181R84.6Confident82.3Confident157 Ų15754.1 Ų54.159%0.59229%0.286SS*.Hα-helixtrans-80.5-27.9173.1-75.2168.9175.3172.3-1.9113.3P177 N178 G179 P184 W232P177-R181 WeakPolarHBondContact O-CD 3.46Å; P177-R181 VanDerWaalsContact O-CG 3.25Å; P177-R181 WeakPolarHBondContact O-CG 3.4Å; P177-R181 PolarHBondContact O-N 3.04Å; N178-R181 WeakPolarHBondContact O-CB 3.18Å; N178-R181 PolarHBondContact O-N 3.39Å; N178-R181 VanDerWaalsContact O-N 3.12Å; G179-R181 PolarHBondContact O-N 3.13Å; R181-P184 WeakPolarHBondContact O-CD 3.46Å; R181-W232 HydrophobicContact CB-CZ3 4.4Å; R181-W232 HydrophobicContact CG-CH2 4.13Å; R181-W232 HydrophobicContact CG-CZ3 3.98Å
182A85.3Confident82.7Confident22 Ų2249.7 Ų49.718%0.18227%0.265CS..Hα-helixtrans-79.3-29.4176.400000112.9I169 N178 G179 V185 F186I169-A182 HydrophobicContact CD1-CB 3.79Å; I169-A182 HydrophobicContact CG1-CB 4.38Å; N178-A182 PolarHBondContact O-N 2.93Å; G179-A182 PolarHBondContact O-N 3.09Å; A182-V185 WeakPolarHBondContact O-CB 3.35Å; A182-V185 PolarHBondContact O-N 3.33Å; A182-F186 HydrophobicContact CB-CD2 4.18Å; A182-F186 HydrophobicContact CB-CE2 3.69Å; A182-F186 HydrophobicContact CB-CZ 4.49Å; A182-F186 WeakPolarHBondContact O-CD2 3.33Å; A182-F186 PolarHBondContact O-N 3.37Å; A182-F186 VanDerWaalsContact O-N 3.15Å
183L83.4Confident83.1Confident3 Ų350 Ų502%0.01627%0.27CS..Hα-helixtrans-47.6-50.4-179.5-76.4179.5000115.2G179 L180 V185 F186 Y187 V231 M239 L511 L515G179-L183 PolarHBondContact O-N 3.42Å; L180-L183 HydrophobicContact CD2-CD1 3.95Å; L183-V185 PolarHBondContact O-N 3.08Å; L183-F186 PolarHBondContact O-N 3.25Å; L183-Y187 HydrophobicContact CD2-CE2 4.29Å; L183-Y187 VanDerWaalsContact O-CD2 3.26Å; L183-Y187 WeakPolarHBondContact O-CD2 3.12Å; L183-Y187 PolarHBondContact O-N 3.13Å; L183-V231 HydrophobicContact CB-CG1 4.44Å; L183-M239 HydrophobicContact CD1-CE 3.8Å; L183-M239 HydrophobicContact CD1-SD 3.39Å; L183-M239 WeakPolarHBondContact CD1-SD 3.44Å; L183-L511 HydrophobicContact CD1-CD1 3.79Å; L183-L511 HydrophobicContact CD2-CD1 4.44Å; L183-L511 HydrophobicContact CG-CD1 4.15Å; L183-L515 HydrophobicContact CD2-CD1 4.17Å
184P89.1Confident83.9Confident8 Ų844 Ų445%0.05224%0.238CC..Hα-helixtrans-60.5-33.2179-13.823.5000113.1R181 A188 A228 V231 W232R181-P184 WeakPolarHBondContact O-CD 3.46Å; P184-A188 WeakPolarHBondContact O-CB 3.35Å; P184-A188 PolarHBondContact O-N 3.1Å; P184-A228 HydrophobicContact CB-CB 4.07Å; P184-V231 HydrophobicContact CB-CB 4.31Å; P184-V231 HydrophobicContact CB-CG1 4.13Å; P184-V231 HydrophobicContact CG-CG1 4.12Å; P184-W232 HydrophobicContact CG-CB 4.22Å; P184-W232 HydrophobicContact CG-CE3 3.83Å
185V89.3Confident84.5Confident93 Ų9340.5 Ų40.556%0.56422%0.221SC*.Hα-helixtrans-69.5-44.6179.6-176.20000110.2A182 L183 T189A182-V185 WeakPolarHBondContact O-CB 3.35Å; A182-V185 PolarHBondContact O-N 3.33Å; L183-V185 PolarHBondContact O-N 3.08Å; V185-T189 VanDerWaalsContact O-CB 3.28Å; V185-T189 WeakPolarHBondContact O-CB 3.46Å; V185-T189 PolarHBondContact O-N 2.77Å; V185-T189 PolarHBondContact O-OG1 3.12Å
186F86.1Confident85.2Confident46 Ų4643.2 Ų43.220%0.20223%0.232CC..Hα-helixtrans-61.7-51174.7-66.7-55.5000111.5L161 I165 I169 A182 L183 A188 T189 T190 L515L161-F186 HydrophobicContact CD1-CE1 3.94Å; I165-F186 HydrophobicContact CD1-CZ 4.21Å; I165-F186 HydrophobicContact CG1-CZ 3.85Å; I169-F186 HydrophobicContact CD1-CE2 4Å; I169-F186 HydrophobicContact CD1-CZ 4.37Å; A182-F186 HydrophobicContact CB-CD2 4.18Å; A182-F186 HydrophobicContact CB-CE2 3.69Å; A182-F186 HydrophobicContact CB-CZ 4.49Å; A182-F186 WeakPolarHBondContact O-CD2 3.33Å; A182-F186 PolarHBondContact O-N 3.37Å; A182-F186 VanDerWaalsContact O-N 3.15Å; L183-F186 PolarHBondContact O-N 3.25Å; F186-A188 PolarHBondContact O-N 2.83Å; F186-T189 PolarHBondContact O-N 2.68Å; F186-T190 PolarHBondContact O-N 2.96Å; F186-T190 PolarHBondContact O-OG1 2.86Å; F186-T190 VanDerWaalsContact O-OG1 3.07Å; F186-L515 HydrophobicContact CB-CD1 4.23Å; F186-L515 HydrophobicContact CD2-CD2 4.29Å
187Y86.8Confident85.5Confident18 Ų1844 Ų447%0.07124%0.239CC..Hα-helixtrans-58.1-47.2179.3-88.1-112.5000112.3L183 T190 I191 V231 F514 L515 L518L183-Y187 HydrophobicContact CD2-CE2 4.29Å; L183-Y187 VanDerWaalsContact O-CD2 3.26Å; L183-Y187 WeakPolarHBondContact O-CD2 3.12Å; L183-Y187 PolarHBondContact O-N 3.13Å; Y187-T190 PolarHBondContact O-N 2.81Å; Y187-I191 VanDerWaalsContact O-CB 3.32Å; Y187-I191 WeakPolarHBondContact O-CB 3.39Å; Y187-I191 WeakPolarHBondContact O-CG1 3.35Å; Y187-I191 PolarHBondContact O-N 3.46Å; Y187-V231 HydrophobicContact CD1-CG2 3.67Å; Y187-V231 HydrophobicContact CE1-CG2 4.47Å; Y187-V231 HydrophobicContact CG-CG1 4.41Å; Y187-V231 HydrophobicContact CG-CG2 3.88Å; Y187-F514 HydrophobicContact CE1-CE1 4.46Å; Y187-F514 HydrophobicContact CE2-CE1 4.46Å; Y187-F514 AromaticContact CZ-CE1 3.73Å; Y187-F514 WeakPolarHBondContact OH-CD1 3.48Å; Y187-F514 WeakPolarHBondContact OH-CE1 3.47Å; Y187-F514 WeakPolarHBondContact OH-CZ 3.41Å; Y187-L515 HydrophobicContact CE2-CD1 4.1Å; Y187-L518 HydrophobicContact CD1-CD1 4.24Å; Y187-L518 HydrophobicContact CD1-CD2 3.83Å; Y187-L518 HydrophobicContact CD2-CD2 3.73Å; Y187-L518 HydrophobicContact CE1-CD1 3.49Å; Y187-L518 VanDerWaalsContact CE1-CD1 3.49Å; Y187-L518 HydrophobicContact CE1-CD2 3.53Å; Y187-L518 HydrophobicContact CE1-CG 4.04Å; Y187-L518 HydrophobicContact CE2-CD2 3.42Å; Y187-L518 VanDerWaalsContact CE2-CD2 3.42Å; Y187-L518 HydrophobicContact CE2-CG 4.44Å; Y187-L518 HydrophobicContact CG-CD2 3.91Å
188A90.6Very high85.6Confident11 Ų1143 Ų439%0.09123%0.23CC..Hα-helixtrans-64.3-42.1177.800000112.4P184 F186 G192 S224 A228P184-A188 WeakPolarHBondContact O-CB 3.35Å; P184-A188 PolarHBondContact O-N 3.1Å; F186-A188 PolarHBondContact O-N 2.83Å; A188-G192 WeakPolarHBondContact O-CA 3.36Å; A188-G192 PolarHBondContact O-N 3.4Å; A188-S224 WeakPolarHBondContact CB-O 3.3Å; A188-S224 WeakPolarHBondContact O-CB 3.41Å; A188-A228 HydrophobicContact CB-CB 3.91Å
189T88.3Confident85.6Confident74 Ų7442 Ų4245%0.45422%0.224SC..Hα-helixtrans-62.8-48178.3-56.80000110.6V185 F186 G192 I193V185-T189 VanDerWaalsContact O-CB 3.28Å; V185-T189 WeakPolarHBondContact O-CB 3.46Å; V185-T189 PolarHBondContact O-N 2.77Å; V185-T189 PolarHBondContact O-OG1 3.12Å; F186-T189 PolarHBondContact O-N 2.68Å; T189-G192 PolarHBondContact O-N 2.84Å; T189-I193 HydrophobicContact CG2-CD1 3.83Å; T189-I193 VanDerWaalsContact O-CG1 3.3Å; T189-I193 WeakPolarHBondContact O-CG1 3.33Å; T189-I193 PolarHBondContact O-N 3.34Å
190T85.8Confident85.5Confident39 Ų3948.7 Ų48.724%0.23925%0.25CC..Hα-helixtrans-69.7-43-178.6-44.40000112.8F186 Y187 G192 N194 F522F186-T190 PolarHBondContact O-N 2.96Å; F186-T190 PolarHBondContact O-OG1 2.86Å; F186-T190 VanDerWaalsContact O-OG1 3.07Å; Y187-T190 PolarHBondContact O-N 2.81Å; T190-G192 VanDerWaalsContact C-N 3.32Å; T190-G192 PolarHBondContact O-N 3.34Å; T190-N194 WeakPolarHBondContact O-CB 3.46Å; T190-N194 PolarHBondContact O-N 3.45Å; T190-F522 HydrophobicContact CG2-CB 3.91Å; T190-F522 HydrophobicContact CG2-CD2 3.24Å; T190-F522 HydrophobicContact CG2-CE2 3.78Å; T190-F522 HydrophobicContact CG2-CG 3.71Å
191I86.3Confident85Confident48 Ų4850.4 Ų50.425%0.24626%0.261CS..Hα-helixtrans-62.7-39.9172.9-74-70.3000110.9Y187 T195 C227 F522Y187-I191 VanDerWaalsContact O-CB 3.32Å; Y187-I191 WeakPolarHBondContact O-CB 3.39Å; Y187-I191 WeakPolarHBondContact O-CG1 3.35Å; Y187-I191 PolarHBondContact O-N 3.46Å; I191-T195 WeakPolarHBondContact O-CB 3.33Å; I191-T195 PolarHBondContact O-N 3Å; I191-T195 PolarHBondContact O-OG1 3.36Å; I191-C227 HydrophobicContact CG2-CB 4.29Å; I191-F522 HydrophobicContact CD1-CE1 3.77Å; I191-F522 HydrophobicContact CD1-CE2 4.49Å; I191-F522 HydrophobicContact CD1-CZ 3.43Å; I191-F522 VanDerWaalsContact CD1-CZ 3.43Å; I191-F522 HydrophobicContact CG1-CZ 3.87Å
192G89.8Confident83.8Confident10 Ų1043.9 Ų43.910%0.10324%0.242CC..Hα-helixtrans-62.7-49.8178.200000112A188 T189 T190 T195 F196A188-G192 WeakPolarHBondContact O-CA 3.36Å; A188-G192 PolarHBondContact O-N 3.4Å; T189-G192 PolarHBondContact O-N 2.84Å; T190-G192 VanDerWaalsContact C-N 3.32Å; T190-G192 PolarHBondContact O-N 3.34Å; G192-T195 PolarHBondContact O-N 3.18Å; G192-F196 VanDerWaalsContact O-CB 3.25Å; G192-F196 WeakPolarHBondContact O-CB 3.39Å; G192-F196 PolarHBondContact O-N 3.33Å
193I87.1Confident82.4Confident109 Ų10943.3 Ų43.356%0.55924%0.238SC*.Hα-helixtrans-61-46.8177.5-68.9167.5000111T189 F196 S197T189-I193 HydrophobicContact CG2-CD1 3.83Å; T189-I193 VanDerWaalsContact O-CG1 3.3Å; T189-I193 WeakPolarHBondContact O-CG1 3.33Å; T189-I193 PolarHBondContact O-N 3.34Å; I193-F196 PolarHBondContact O-N 3.26Å; I193-S197 WeakPolarHBondContact O-CB 3.49Å; I193-S197 PolarHBondContact O-N 3.4Å
194N84.6Confident81Confident21 Ų2145.8 Ų45.811%0.11225%0.254CS..Hα-helixtrans-65.5-44.2179.1-77.1-21.7000112.1T190 F196 S197 I198 F522T190-N194 WeakPolarHBondContact O-CB 3.46Å; T190-N194 PolarHBondContact O-N 3.45Å; N194-F196 VanDerWaalsContact C-N 3.33Å; N194-F196 PolarHBondContact O-N 2.95Å; N194-S197 WeakPolarHBondContact O-CB 3.15Å; N194-S197 PolarHBondContact O-N 2.91Å; N194-I198 WeakPolarHBondContact O-CD1 3.2Å; N194-I198 VanDerWaalsContact O-CG1 3.24Å; N194-I198 WeakPolarHBondContact O-CG1 3.27Å; N194-I198 PolarHBondContact O-N 3.46Å; N194-F522 VanDerWaalsContact ND2-CD1 3.33Å; N194-F522 WeakPolarHBondContact ND2-CD1 3.29Å
195T85.5Confident79.1Confident47 Ų4750.5 Ų50.529%0.28828%0.278SS..Hα-helixtrans-63.4-40.7177.1-51.10000111I191 G192 I198 M199 T220I191-T195 WeakPolarHBondContact O-CB 3.33Å; I191-T195 PolarHBondContact O-N 3Å; I191-T195 PolarHBondContact O-OG1 3.36Å; G192-T195 PolarHBondContact O-N 3.18Å; T195-I198 PolarHBondContact O-N 2.99Å; T195-M199 HydrophobicContact CG2-CG 4.41Å; T195-M199 HydrophobicContact CG2-SD 4.01Å; T195-M199 WeakPolarHBondContact O-CB 3.34Å; T195-M199 WeakPolarHBondContact O-CG 3.35Å; T195-M199 PolarHBondContact O-N 3.5Å; T195-T220 HydrophobicContact CG2-CG2 4.07Å
196F87.4Confident77.6Confident63 Ų6350.5 Ų50.528%0.27627%0.274SS..Hα-helixtrans-63-44.9174.2-177.4-88.2000111.3G192 I193 N194 I198 M199 Y200 I216 T220G192-F196 VanDerWaalsContact O-CB 3.25Å; G192-F196 WeakPolarHBondContact O-CB 3.39Å; G192-F196 PolarHBondContact O-N 3.33Å; I193-F196 PolarHBondContact O-N 3.26Å; N194-F196 VanDerWaalsContact C-N 3.33Å; N194-F196 PolarHBondContact O-N 2.95Å; F196-I198 PolarHBondContact O-N 2.73Å; F196-M199 PolarHBondContact O-N 2.95Å; F196-Y200 HydrophobicContact CE1-CD1 4.41Å; F196-Y200 HydrophobicContact CE1-CD2 4.48Å; F196-Y200 HydrophobicContact CE1-CG 4.03Å; F196-Y200 HydrophobicContact CZ-CD2 4.15Å; F196-Y200 HydrophobicContact CZ-CG 4.13Å; F196-Y200 WeakPolarHBondContact O-CB 3.31Å; F196-Y200 PolarHBondContact O-N 3.44Å; F196-I216 HydrophobicContact CD2-CG2 3.92Å; F196-I216 HydrophobicContact CE2-CG2 4.06Å; F196-T220 VanDerWaalsContact CA-CG2 3.48Å; F196-T220 HydrophobicContact CB-CG2 3.81Å; F196-T220 HydrophobicContact CD2-CG2 4.21Å
197S82.6Confident76.2Confident37 Ų3750.8 Ų50.826%0.25929%0.29SS..Hα-helixtrans-57.8-46.1175.4-170.70000111.8I193 N194 T201 G202I193-S197 WeakPolarHBondContact O-CB 3.49Å; I193-S197 PolarHBondContact O-N 3.4Å; N194-S197 WeakPolarHBondContact O-CB 3.15Å; N194-S197 PolarHBondContact O-N 2.91Å; S197-T201 WeakPolarHBondContact O-CA 3.36Å; S197-T201 WeakPolarHBondContact O-CB 3.34Å; S197-T201 PolarHBondContact O-N 3.1Å; S197-T201 PolarHBondContact O-OG1 3.23Å; S197-G202 PolarHBondContact O-N 3.01Å
198I82.1Confident74.9Confident31 Ų3152.6 Ų52.616%0.15930%0.301CS..Hα-helixtrans-65.8-39.8177.2-61.6158000111.9L61 L62 N194 T195 F196 G202 L206 F525L61-I198 HydrophobicContact CB-CG1 4.38Å; L61-I198 HydrophobicContact CB-CG2 4.44Å; L61-I198 HydrophobicContact CD1-CD1 4.18Å; L62-I198 HydrophobicContact CD2-CG1 3.91Å; L62-I198 HydrophobicContact CG-CG1 4.44Å; N194-I198 WeakPolarHBondContact O-CD1 3.2Å; N194-I198 VanDerWaalsContact O-CG1 3.24Å; N194-I198 WeakPolarHBondContact O-CG1 3.27Å; N194-I198 PolarHBondContact O-N 3.46Å; T195-I198 PolarHBondContact O-N 2.99Å; F196-I198 PolarHBondContact O-N 2.73Å; I198-G202 WeakPolarHBondContact O-CA 3.45Å; I198-G202 PolarHBondContact O-N 3.2Å; I198-L206 HydrophobicContact CG2-CD1 4.19Å; I198-F525 HydrophobicContact CD1-CE1 3.91Å; I198-F525 HydrophobicContact CD1-CZ 3.6Å; I198-F525 HydrophobicContact CG1-CE1 4.16Å; I198-F525 HydrophobicContact CG1-CZ 3.94Å
199M80.5Confident73.4Confident28 Ų2859.4 Ų59.414%0.13833%0.331CS..Hα-helixtrans-79.6-31.2-178.1-71.3-178.872.500114T195 F196 L208 L211 I216 I219 T220T195-M199 HydrophobicContact CG2-CG 4.41Å; T195-M199 HydrophobicContact CG2-SD 4.01Å; T195-M199 WeakPolarHBondContact O-CB 3.34Å; T195-M199 WeakPolarHBondContact O-CG 3.35Å; T195-M199 PolarHBondContact O-N 3.5Å; F196-M199 PolarHBondContact O-N 2.95Å; M199-L208 HydrophobicContact CE-CD1 4.1Å; M199-L208 HydrophobicContact CG-CD1 4.42Å; M199-L211 HydrophobicContact CE-CD1 4.31Å; M199-I216 HydrophobicContact CB-CG2 3.55Å; M199-I216 HydrophobicContact CE-CG1 4.36Å; M199-I216 HydrophobicContact CE-CG2 4.32Å; M199-I216 HydrophobicContact SD-CG2 4.43Å; M199-I219 HydrophobicContact CE-CB 3.95Å; M199-I219 HydrophobicContact CE-CD1 3.88Å; M199-I219 HydrophobicContact CE-CG2 3.71Å; M199-I219 HydrophobicContact SD-CB 4.4Å; M199-I219 HydrophobicContact SD-CG2 3.86Å; M199-T220 HydrophobicContact SD-CG2 3.74Å
200Y78.6Confident72.1Confident143 Ų14364.2 Ų64.256%0.56135%0.35SS*.Hα-helixtrans-87.2-31.2179.4-179.3-98.3000112.7F196 V213F196-Y200 HydrophobicContact CE1-CD1 4.41Å; F196-Y200 HydrophobicContact CE1-CD2 4.48Å; F196-Y200 HydrophobicContact CE1-CG 4.03Å; F196-Y200 HydrophobicContact CZ-CD2 4.15Å; F196-Y200 HydrophobicContact CZ-CG 4.13Å; F196-Y200 WeakPolarHBondContact O-CB 3.31Å; F196-Y200 PolarHBondContact O-N 3.44Å; Y200-V213 HydrophobicContact CD2-CG1 4.39Å; Y200-V213 HydrophobicContact CD2-CG2 4.43Å; Y200-V213 HydrophobicContact CE2-CG1 4.34Å; Y200-V213 HydrophobicContact CE2-CG2 4.07Å
201T70.7Confident71.5Confident51 Ų5165.2 Ų65.231%0.31335%0.354SS..Hα-helixtrans-128.4-18.3-166.9-16.20000113.5K65 S197K65-T201 HydrophobicContact CB-CG2 4.05Å; K65-T201 HydrophobicContact CG-CG2 3.86Å; S197-T201 WeakPolarHBondContact O-CA 3.36Å; S197-T201 WeakPolarHBondContact O-CB 3.34Å; S197-T201 PolarHBondContact O-N 3.1Å; S197-T201 PolarHBondContact O-OG1 3.23Å
202G59.6Low71.4Confident19 Ų1965.6 Ų65.620%0.19636%0.359CS..SBendtrans-76.4168.1-173.500000113.5L61 S197 I198L61-G202 WeakPolarHBondContact O-CA 3.32Å; S197-G202 PolarHBondContact O-N 3.01Å; I198-G202 WeakPolarHBondContact O-CA 3.45Å; I198-G202 PolarHBondContact O-N 3.2Å
203A55.5Low71.2Confident11 Ų1169 Ų699%0.09138%0.378CS..  trans-56.4150.6-165.100000114.5L61 A64 L205L61-A203 PolarHBondContact O-N 3.31Å; L61-A203 VanDerWaalsContact O-N 3.12Å; A64-A203 HydrophobicContact CB-CB 4.09Å; A203-L205 HydrophobicContact CB-CB 4.29Å; A203-L205 PolarHBondContact O-N 3.09Å
204P54Low71.2Confident54 Ų5472 Ų7235%0.35138%0.383SS..G310 helixtrans-58.5-5.1176.119.6-31.3000115.2L206 G207 A556P204-L206 PolarHBondContact O-N 3.1Å; P204-L206 VanDerWaalsContact O-N 3.08Å; P204-G207 PolarHBondContact O-N 3.39Å; P204-A556 HydrophobicContact CG-CB 3.72Å
205L50.8Low71.3Confident108 Ų10871.7 Ų71.757%0.56538%0.383SS*.G310 helixtrans-44.4-35.8171.6-171.6108.2000113.9A203 I559A203-L205 HydrophobicContact CB-CB 4.29Å; A203-L205 PolarHBondContact O-N 3.09Å; L205-I559 HydrophobicContact CD1-CD1 3.7Å; L205-I559 HydrophobicContact CD1-CG1 3.89Å
206L56.5Low71.4Confident92 Ų9269.9 Ų69.948%0.48237%0.371SS..G310 helixtrans-86.3-13.8-177.7-77.9165.4000113.8I198 P204 L208I198-L206 HydrophobicContact CG2-CD1 4.19Å; P204-L206 PolarHBondContact O-N 3.1Å; P204-L206 VanDerWaalsContact O-N 3.08Å; L206-L208 HydrophobicContact CB-CB 4.43Å; L206-L208 HydrophobicContact CB-CD1 3.83Å; L206-L208 HydrophobicContact CB-CG 3.83Å; L206-L208 HydrophobicContact CD1-CD1 4.17Å; L206-L208 HydrophobicContact CG-CD1 4.41Å; L206-L208 PolarHBondContact O-N 3.45Å; L206-L208 VanDerWaalsContact O-N 3.11Å
207G56.8Low71.5Confident53 Ų5372.4 Ų72.455%0.54638%0.382SS..  trans62.412.9-176.200000114.8P204 E209P204-G207 PolarHBondContact O-N 3.39Å; G207-E209 VanDerWaalsContact C-N 3.26Å; G207-E209 PolarHBondContact O-N 3.38Å
208L59.7Low71.8Confident55 Ų5575.1 Ų75.129%0.28839%0.393SS..G310 helixtrans-835.7-173.3-63.4174.5000114.1M199 L206 M210 L211M199-L208 HydrophobicContact CE-CD1 4.1Å; M199-L208 HydrophobicContact CG-CD1 4.42Å; L206-L208 HydrophobicContact CB-CB 4.43Å; L206-L208 HydrophobicContact CB-CD1 3.83Å; L206-L208 HydrophobicContact CB-CG 3.83Å; L206-L208 HydrophobicContact CD1-CD1 4.17Å; L206-L208 HydrophobicContact CG-CD1 4.41Å; L206-L208 PolarHBondContact O-N 3.45Å; L206-L208 VanDerWaalsContact O-N 3.11Å; L208-M210 PolarHBondContact O-N 3.08Å; L208-L211 HydrophobicContact CB-CD1 4.4Å; L208-L211 HydrophobicContact CD2-CD1 3.79Å; L208-L211 HydrophobicContact CD2-CG 4.2Å; L208-L211 HydrophobicContact CG-CD1 4.5Å; L208-L211 WeakPolarHBondContact O-CB 3.31Å; L208-L211 PolarHBondContact O-N 3.47Å
209E58.6Low72.1Confident155 Ų15577.6 Ų77.672%0.72441%0.406SS*.G310 helixtrans-57.9-17.3176.2-59.6-175.3167.900113.1G207G207-E209 VanDerWaalsContact C-N 3.26Å; G207-E209 PolarHBondContact O-N 3.38Å
210M61.3Low72.7Confident175 Ų17576.6 Ų76.686%0.86240%0.401SS*.G310 helixtrans-86.2-4.6175.3-56.3-65.1-93.700113.8L208L208-M210 PolarHBondContact O-N 3.08Å
211L73.3Confident73.3Confident59 Ų5973.1 Ų73.131%0.30939%0.392SS..SBendtrans-84.5129.7175.9-71.4-171.3000111.4M199 L208 I216 I219M199-L211 HydrophobicContact CE-CD1 4.31Å; L208-L211 HydrophobicContact CB-CD1 4.4Å; L208-L211 HydrophobicContact CD2-CD1 3.79Å; L208-L211 HydrophobicContact CD2-CG 4.2Å; L208-L211 HydrophobicContact CG-CD1 4.5Å; L208-L211 WeakPolarHBondContact O-CB 3.31Å; L208-L211 PolarHBondContact O-N 3.47Å; L211-I216 HydrophobicContact CB-CD1 4.47Å; L211-I216 HydrophobicContact CB-CG1 4.04Å; L211-I219 HydrophobicContact CD1-CD1 3.82Å
212P84.8Confident74.3Confident56 Ų5673.3 Ų73.336%0.36440%0.399SS..  trans-69149.6174.130.7-35.5000110.7W214 A215 I216P212-W214 HydrophobicContact CB-CG 4.46Å; P212-W214 HydrophobicContact CG-CD2 4.21Å; P212-W214 VanDerWaalsContact CG-CE2 3.48Å; P212-W214 HydrophobicContact CG-CG 4.45Å; P212-W214 HydrophobicContact CG-CZ2 3.76Å; P212-W214 VanDerWaalsContact CG-NE1 3.32Å; P212-W214 PolarHBondContact O-N 3.38Å; P212-A215 HydrophobicContact CG-CB 3.91Å; P212-A215 WeakPolarHBondContact O-CA 3.38Å; P212-A215 WeakPolarHBondContact O-CB 3.32Å; P212-A215 PolarHBondContact O-N 3.02Å; P212-I216 PolarHBondContact O-N 3.12Å
213V84.6Confident75.8Confident81 Ų8174 Ų7449%0.49141%0.406SS..Hα-helixtrans-54-34.1-174.3-176.10000113.2Y200 A215 I216 F217Y200-V213 HydrophobicContact CD2-CG1 4.39Å; Y200-V213 HydrophobicContact CD2-CG2 4.43Å; Y200-V213 HydrophobicContact CE2-CG1 4.34Å; Y200-V213 HydrophobicContact CE2-CG2 4.07Å; V213-A215 VanDerWaalsContact C-N 3.34Å; V213-A215 PolarHBondContact O-N 3.21Å; V213-I216 PolarHBondContact O-N 2.97Å; V213-F217 WeakPolarHBondContact O-CB 3.5Å; V213-F217 PolarHBondContact O-N 2.99Å
214W87.8Confident77.6Confident174 Ų17474.1 Ų74.166%0.65941%0.406SS*.Hα-helixtrans-66.5-33.3175.966.1-100.7000113P212 L218P212-W214 HydrophobicContact CB-CG 4.46Å; P212-W214 HydrophobicContact CG-CD2 4.21Å; P212-W214 VanDerWaalsContact CG-CE2 3.48Å; P212-W214 HydrophobicContact CG-CG 4.45Å; P212-W214 HydrophobicContact CG-CZ2 3.76Å; P212-W214 VanDerWaalsContact CG-NE1 3.32Å; P212-W214 PolarHBondContact O-N 3.38Å; W214-L218 HydrophobicContact CE3-CD1 3.76Å; W214-L218 HydrophobicContact CZ3-CD1 3.91Å; W214-L218 WeakPolarHBondContact O-CG 3.42Å; W214-L218 PolarHBondContact O-N 2.77Å
215A87.1Confident79.5Confident14 Ų1476.7 Ų76.712%0.11642%0.416CS..Hα-helixtrans-73.2-39.9176.300000110.8P212 V213 F217 L218 I219P212-A215 HydrophobicContact CG-CB 3.91Å; P212-A215 WeakPolarHBondContact O-CA 3.38Å; P212-A215 WeakPolarHBondContact O-CB 3.32Å; P212-A215 PolarHBondContact O-N 3.02Å; V213-A215 VanDerWaalsContact C-N 3.34Å; V213-A215 PolarHBondContact O-N 3.21Å; A215-F217 VanDerWaalsContact C-N 3.34Å; A215-F217 PolarHBondContact O-N 3.07Å; A215-L218 PolarHBondContact O-N 2.86Å; A215-I219 WeakPolarHBondContact O-CD1 3.35Å; A215-I219 VanDerWaalsContact O-CG1 3.26Å; A215-I219 WeakPolarHBondContact O-CG1 3.35Å; A215-I219 PolarHBondContact O-N 3.48Å
216I87.3Confident81.5Confident8 Ų876 Ų764%0.04142%0.416CS..Hα-helixtrans-57.2-49.6170.8-63.4171000109.8F196 M199 L211 P212 V213 L218 I219 T220F196-I216 HydrophobicContact CD2-CG2 3.92Å; F196-I216 HydrophobicContact CE2-CG2 4.06Å; M199-I216 HydrophobicContact CB-CG2 3.55Å; M199-I216 HydrophobicContact CE-CG1 4.36Å; M199-I216 HydrophobicContact CE-CG2 4.32Å; M199-I216 HydrophobicContact SD-CG2 4.43Å; L211-I216 HydrophobicContact CB-CD1 4.47Å; L211-I216 HydrophobicContact CB-CG1 4.04Å; P212-I216 PolarHBondContact O-N 3.12Å; V213-I216 PolarHBondContact O-N 2.97Å; I216-L218 PolarHBondContact O-N 2.76Å; I216-I219 PolarHBondContact O-N 3.23Å; I216-T220 HydrophobicContact CG2-CG2 4.14Å; I216-T220 WeakPolarHBondContact O-CG2 3.5Å; I216-T220 PolarHBondContact O-N 3.38Å; I216-T220 PolarHBondContact O-OG1 3.41Å
217F88.8Confident83.2Confident116 Ų11672.9 Ų72.951%0.50940%0.402SS..Hα-helixtrans-56.5-48176.6-177.5-99.3000112.3V213 A215 I219 T220 L221V213-F217 WeakPolarHBondContact O-CB 3.5Å; V213-F217 PolarHBondContact O-N 2.99Å; A215-F217 VanDerWaalsContact C-N 3.34Å; A215-F217 PolarHBondContact O-N 3.07Å; F217-I219 PolarHBondContact O-N 3.41Å; F217-T220 PolarHBondContact O-N 3.16Å; F217-T220 PolarHBondContact O-OG1 3.05Å; F217-L221 HydrophobicContact CE1-CD2 4.14Å; F217-L221 VanDerWaalsContact O-CB 3.28Å; F217-L221 WeakPolarHBondContact O-CB 3.45Å; F217-L221 PolarHBondContact O-N 3.21Å
218L90.6Very high84.9Confident94 Ų9471.4 Ų71.449%0.49238%0.384SS..Hα-helixtrans-62.8-40.7177.6-72175.8000113.3W214 A215 I216 L221 A222W214-L218 HydrophobicContact CE3-CD1 3.76Å; W214-L218 HydrophobicContact CZ3-CD1 3.91Å; W214-L218 WeakPolarHBondContact O-CG 3.42Å; W214-L218 PolarHBondContact O-N 2.77Å; A215-L218 PolarHBondContact O-N 2.86Å; I216-L218 PolarHBondContact O-N 2.76Å; L218-L221 PolarHBondContact O-N 3.1Å; L218-A222 WeakPolarHBondContact O-CB 3.36Å; L218-A222 PolarHBondContact O-N 3Å
219I88.4Confident86.4Confident83 Ų8370.9 Ų70.943%0.42639%0.388SS..Hα-helixtrans-65.7-43.7177.6-67.7162.4000110.3M199 L211 A215 I216 F217 A222 G223M199-I219 HydrophobicContact CE-CB 3.95Å; M199-I219 HydrophobicContact CE-CD1 3.88Å; M199-I219 HydrophobicContact CE-CG2 3.71Å; M199-I219 HydrophobicContact SD-CB 4.4Å; M199-I219 HydrophobicContact SD-CG2 3.86Å; L211-I219 HydrophobicContact CD1-CD1 3.82Å; A215-I219 WeakPolarHBondContact O-CD1 3.35Å; A215-I219 VanDerWaalsContact O-CG1 3.26Å; A215-I219 WeakPolarHBondContact O-CG1 3.35Å; A215-I219 PolarHBondContact O-N 3.48Å; I216-I219 PolarHBondContact O-N 3.23Å; F217-I219 PolarHBondContact O-N 3.41Å; I219-A222 PolarHBondContact O-N 3.3Å; I219-G223 PolarHBondContact O-N 2.96Å
220T91.3Very high88Confident7 Ų767 Ų674%0.04338%0.375CS..Hα-helixtrans-67.8-35.717963.30000112.2T195 F196 M199 I216 F217 G223 S224T195-T220 HydrophobicContact CG2-CG2 4.07Å; F196-T220 VanDerWaalsContact CA-CG2 3.48Å; F196-T220 HydrophobicContact CB-CG2 3.81Å; F196-T220 HydrophobicContact CD2-CG2 4.21Å; M199-T220 HydrophobicContact SD-CG2 3.74Å; I216-T220 HydrophobicContact CG2-CG2 4.14Å; I216-T220 WeakPolarHBondContact O-CG2 3.5Å; I216-T220 PolarHBondContact O-N 3.38Å; I216-T220 PolarHBondContact O-OG1 3.41Å; F217-T220 PolarHBondContact O-N 3.16Å; F217-T220 PolarHBondContact O-OG1 3.05Å; T220-G223 PolarHBondContact O-N 2.99Å; T220-S224 WeakPolarHBondContact O-CB 3.24Å; T220-S224 PolarHBondContact O-N 3.33Å; T220-S224 PolarHBondContact O-OG 3Å
221L92.4Very high89.4Confident71 Ų7158.9 Ų58.937%0.37234%0.335SS..Hα-helixtrans-69.1-41.5173.5-176.562.5000112F217 L218 S224 L225F217-L221 HydrophobicContact CE1-CD2 4.14Å; F217-L221 VanDerWaalsContact O-CB 3.28Å; F217-L221 WeakPolarHBondContact O-CB 3.45Å; F217-L221 PolarHBondContact O-N 3.21Å; L218-L221 PolarHBondContact O-N 3.1Å; L221-S224 WeakPolarHBondContact CA-OG 3.34Å; L221-S224 PolarHBondContact O-N 2.96Å; L221-S224 PolarHBondContact O-OG 3.44Å; L221-L225 HydrophobicContact CD1-CD1 4.35Å; L221-L225 HydrophobicContact CD1-CG 4.44Å; L221-L225 HydrophobicContact CG-CD1 4.16Å; L221-L225 WeakPolarHBondContact O-CB 3.43Å; L221-L225 WeakPolarHBondContact O-CG 3.3Å; L221-L225 PolarHBondContact O-N 2.91Å
222A92.3Very high90.2Very high54 Ų5462.9 Ų62.945%0.44635%0.346SS..Hα-helixtrans-62.9-44.517300000111L218 I219 L225 V226L218-A222 WeakPolarHBondContact O-CB 3.36Å; L218-A222 PolarHBondContact O-N 3Å; I219-A222 PolarHBondContact O-N 3.3Å; A222-L225 PolarHBondContact O-N 3.17Å; A222-V226 WeakPolarHBondContact O-CB 3.35Å; A222-V226 VanDerWaalsContact O-CG2 3.3Å; A222-V226 WeakPolarHBondContact O-CG2 3.25Å; A222-V226 PolarHBondContact O-N 2.71Å
223G90.8Very high90.5Very high33 Ų3365.1 Ų65.134%0.3435%0.354SS..Hα-helixtrans-61.9-42.4176.500000113.3I219 T220 V226 C227I219-G223 PolarHBondContact O-N 2.96Å; T220-G223 PolarHBondContact O-N 2.99Å; G223-V226 PolarHBondContact O-N 3.08Å; G223-C227 WeakPolarHBondContact O-CB 3.48Å; G223-C227 PolarHBondContact O-N 3.5Å
224S93.1Very high90.7Very high15 Ų1567.9 Ų67.911%0.10536%0.36CS..Hα-helixtrans-68.4-39.8176.766.80000112.3A188 T220 L221 C227 A228A188-S224 WeakPolarHBondContact CB-O 3.3Å; A188-S224 WeakPolarHBondContact O-CB 3.41Å; T220-S224 WeakPolarHBondContact O-CB 3.24Å; T220-S224 PolarHBondContact O-N 3.33Å; T220-S224 PolarHBondContact O-OG 3Å; L221-S224 WeakPolarHBondContact CA-OG 3.34Å; L221-S224 PolarHBondContact O-N 2.96Å; L221-S224 PolarHBondContact O-OG 3.44Å; S224-C227 WeakPolarHBondContact O-CB 3.42Å; S224-C227 PolarHBondContact O-N 3.11Å; S224-A228 PolarHBondContact O-N 3.21Å
225L93.3Very high90.6Very high108 Ų10861.1 Ų61.157%0.56534%0.338SS*.Hα-helixtrans-65.6-39.2174.2-71.2170.8000112.5L221 A222 C227 A228 A229L221-L225 HydrophobicContact CD1-CD1 4.35Å; L221-L225 HydrophobicContact CD1-CG 4.44Å; L221-L225 HydrophobicContact CG-CD1 4.16Å; L221-L225 WeakPolarHBondContact O-CB 3.43Å; L221-L225 WeakPolarHBondContact O-CG 3.3Å; L221-L225 PolarHBondContact O-N 2.91Å; A222-L225 PolarHBondContact O-N 3.17Å; L225-C227 VanDerWaalsContact C-N 3.34Å; L225-A228 WeakPolarHBondContact O-CB 3.33Å; L225-A228 PolarHBondContact O-N 3.02Å; L225-A229 PolarHBondContact O-N 2.88Å
226V93.4Very high90.5Very high93 Ų9361 Ų6156%0.56434%0.336SS*.Hα-helixtrans-63.6-41.6171.7169.30000110.6A222 G223 A229 V230A222-V226 WeakPolarHBondContact O-CB 3.35Å; A222-V226 VanDerWaalsContact O-CG2 3.3Å; A222-V226 WeakPolarHBondContact O-CG2 3.25Å; A222-V226 PolarHBondContact O-N 2.71Å; G223-V226 PolarHBondContact O-N 3.08Å; V226-A229 PolarHBondContact O-N 3.47Å; V226-V230 HydrophobicContact CG1-CG2 4.5Å; V226-V230 WeakPolarHBondContact O-CG2 3.23Å; V226-V230 PolarHBondContact O-N 3.43Å
227C91Very high90.5Very high26 Ų2662.9 Ų62.918%0.17635%0.349CS..Hα-helixtrans-60.5-46173.9-171.90000111.7I191 G223 S224 L225 A229 V230 V231I191-C227 HydrophobicContact CG2-CB 4.29Å; G223-C227 WeakPolarHBondContact O-CB 3.48Å; G223-C227 PolarHBondContact O-N 3.5Å; S224-C227 WeakPolarHBondContact O-CB 3.42Å; S224-C227 PolarHBondContact O-N 3.11Å; L225-C227 VanDerWaalsContact C-N 3.34Å; C227-A229 VanDerWaalsContact C-N 3.33Å; C227-A229 PolarHBondContact O-N 3.4Å; C227-V230 PolarHBondContact O-N 3.42Å; C227-V231 WeakPolarHBondContact O-CG2 3.18Å; C227-V231 PolarHBondContact O-N 2.81Å
228A92.7Very high90.3Very high22 Ų2263.4 Ų63.418%0.18235%0.347CS..Hα-helixtrans-56.5-45.9174.100000111.7P184 A188 S224 L225 V231 W232P184-A228 HydrophobicContact CB-CB 4.07Å; A188-A228 HydrophobicContact CB-CB 3.91Å; S224-A228 PolarHBondContact O-N 3.21Å; L225-A228 WeakPolarHBondContact O-CB 3.33Å; L225-A228 PolarHBondContact O-N 3.02Å; A228-V231 PolarHBondContact O-N 2.94Å; A228-W232 VanDerWaalsContact O-CB 3.27Å; A228-W232 WeakPolarHBondContact O-CB 3.4Å; A228-W232 PolarHBondContact O-N 3.22Å
229A92.6Very high89.9Confident45 Ų4559.2 Ų59.237%0.37233%0.325SS..Hα-helixtrans-62.7-43.5178.300000112.1L225 V226 C227 W232 I233L225-A229 PolarHBondContact O-N 2.88Å; V226-A229 PolarHBondContact O-N 3.47Å; C227-A229 VanDerWaalsContact C-N 3.33Å; C227-A229 PolarHBondContact O-N 3.4Å; A229-W232 PolarHBondContact O-N 3.41Å; A229-I233 VanDerWaalsContact O-CB 3.32Å; A229-I233 WeakPolarHBondContact O-CB 3Å; A229-I233 WeakPolarHBondContact O-CD1 3.2Å; A229-I233 WeakPolarHBondContact O-CG1 3.3Å; A229-I233 PolarHBondContact O-N 3.41Å
230V91.8Very high89.6Confident72 Ų7264 Ų6444%0.43634%0.338SS..Hα-helixtrans-63.4-45.2176.2170.10000111.3V226 C227 I233 F234V226-V230 HydrophobicContact CG1-CG2 4.5Å; V226-V230 WeakPolarHBondContact O-CG2 3.23Å; V226-V230 PolarHBondContact O-N 3.43Å; C227-V230 PolarHBondContact O-N 3.42Å; V230-I233 PolarHBondContact O-N 3.38Å; V230-F234 HydrophobicContact CG1-CD2 4.13Å; V230-F234 WeakPolarHBondContact O-CB 3.27Å; V230-F234 WeakPolarHBondContact O-CD2 3.33Å; V230-F234 PolarHBondContact O-N 3.25Å
231V89.4Confident89.2Confident6 Ų672.7 Ų72.74%0.03637%0.37CS..Iπ-helixtrans-62.7-44.6177172.50000110.5L183 P184 Y187 C227 A228 V235 C236L183-V231 HydrophobicContact CB-CG1 4.44Å; P184-V231 HydrophobicContact CB-CB 4.31Å; P184-V231 HydrophobicContact CB-CG1 4.13Å; P184-V231 HydrophobicContact CG-CG1 4.12Å; Y187-V231 HydrophobicContact CD1-CG2 3.67Å; Y187-V231 HydrophobicContact CE1-CG2 4.47Å; Y187-V231 HydrophobicContact CG-CG1 4.41Å; Y187-V231 HydrophobicContact CG-CG2 3.88Å; C227-V231 WeakPolarHBondContact O-CG2 3.18Å; C227-V231 PolarHBondContact O-N 2.81Å; A228-V231 PolarHBondContact O-N 2.94Å; V231-V235 HydrophobicContact CB-CB 4.44Å; V231-V235 HydrophobicContact CG1-CB 4.09Å; V231-V235 HydrophobicContact CG1-CG1 4.45Å; V231-V235 HydrophobicContact CG2-CG2 4.37Å; V231-V235 CarbonylContact O-C 3.59Å; V231-V235 WeakPolarHBondContact O-CA 3.27Å; V231-V235 WeakPolarHBondContact O-CB 3.49Å; V231-V235 PolarHBondContact O-N 3.09Å; V231-C236 PolarHBondContact O-N 3.06Å; V231-C236 PolarHBondContact O-SG 2.57Å
232W90.6Very high88.7Confident142 Ų14273.5 Ų73.554%0.53837%0.371SS..Iπ-helixtrans-64.7-39.9178.1-177.4-96.6000113.8R181 P184 A228 A229 P237R181-W232 HydrophobicContact CB-CZ3 4.4Å; R181-W232 HydrophobicContact CG-CH2 4.13Å; R181-W232 HydrophobicContact CG-CZ3 3.98Å; P184-W232 HydrophobicContact CG-CB 4.22Å; P184-W232 HydrophobicContact CG-CE3 3.83Å; A228-W232 VanDerWaalsContact O-CB 3.27Å; A228-W232 WeakPolarHBondContact O-CB 3.4Å; A228-W232 PolarHBondContact O-N 3.22Å; A229-W232 PolarHBondContact O-N 3.41Å; W232-P237 VanDerWaalsContact O-CD 3.27Å; W232-P237 WeakPolarHBondContact O-CD 3.25Å
233I91.6Very high88.1Confident104 Ų10471.4 Ų71.453%0.53335%0.352SS..Iπ-helixtrans-81.4-39.8-175.7-67.8167.8000112.1A229 V230 P237A229-I233 VanDerWaalsContact O-CB 3.32Å; A229-I233 WeakPolarHBondContact O-CB 3Å; A229-I233 WeakPolarHBondContact O-CD1 3.2Å; A229-I233 WeakPolarHBondContact O-CG1 3.3Å; A229-I233 PolarHBondContact O-N 3.41Å; V230-I233 PolarHBondContact O-N 3.38Å; I233-P237 WeakPolarHBondContact O-CG 3.46Å
234F89.3Confident87.5Confident138 Ų13871.9 Ų71.961%0.60535%0.353SS*.Iπ-helixtrans-106.7-50.4-173.2-63-80.6000112.9V230 W238V230-F234 HydrophobicContact CG1-CD2 4.13Å; V230-F234 WeakPolarHBondContact O-CB 3.27Å; V230-F234 WeakPolarHBondContact O-CD2 3.33Å; V230-F234 PolarHBondContact O-N 3.25Å; F234-W238 WeakPolarHBondContact O-CB 3.42Å; F234-W238 PolarHBondContact O-N 3.01Å
235V85.1Confident86.9Confident32 Ų3274.4 Ų74.419%0.19437%0.37CS..Iπ-helixtrans-75.6-49.3-171-178.10000111.4V231 W238 M239 F514V231-V235 HydrophobicContact CB-CB 4.44Å; V231-V235 HydrophobicContact CG1-CB 4.09Å; V231-V235 HydrophobicContact CG1-CG1 4.45Å; V231-V235 HydrophobicContact CG2-CG2 4.37Å; V231-V235 CarbonylContact O-C 3.59Å; V231-V235 WeakPolarHBondContact O-CA 3.27Å; V231-V235 WeakPolarHBondContact O-CB 3.49Å; V231-V235 PolarHBondContact O-N 3.09Å; V235-W238 PolarHBondContact O-N 2.77Å; V235-M239 HydrophobicContact CG1-CG 4.05Å; V235-M239 HydrophobicContact CG1-SD 3.78Å; V235-M239 WeakPolarHBondContact O-CB 3.44Å; V235-M239 WeakPolarHBondContact O-CG 3.46Å; V235-M239 PolarHBondContact O-N 3.09Å; V235-F514 HydrophobicContact CG1-CE1 3.77Å; V235-F514 HydrophobicContact CG1-CZ 4.36Å
236C86Confident86.1Confident13 Ų1375.2 Ų75.29%0.08837%0.366CS..Hα-helixtrans-60.4-43.6-178.7-62.40000112.8L180 V231 R240L180-C236 PolarHBondContact O-SG 3.35Å; V231-C236 PolarHBondContact O-N 3.06Å; V231-C236 PolarHBondContact O-SG 2.57Å; C236-R240 WeakPolarHBondContact O-CB 3.46Å; C236-R240 PolarHBondContact O-N 3.42Å
237P86.1Confident85.1Confident46 Ų4672.9 Ų72.930%0.29935%0.35SS..Hα-helixtrans-69.4-34.4175.3-24.238.3000113.1W232 I233 R241W232-P237 VanDerWaalsContact O-CD 3.27Å; W232-P237 WeakPolarHBondContact O-CD 3.25Å; I233-P237 WeakPolarHBondContact O-CG 3.46Å; P237-R241 VanDerWaalsContact O-CG 3.25Å; P237-R241 WeakPolarHBondContact O-CG 3.19Å; P237-R241 PolarHBondContact O-N 3.46Å
238W85.4Confident84.5Confident128 Ų12878.9 Ų78.949%0.48537%0.373SS..Hα-helixtrans-66.6-47.3174.5175.786.8000111.7F234 V235 R240 R241 K242F234-W238 WeakPolarHBondContact O-CB 3.42Å; F234-W238 PolarHBondContact O-N 3.01Å; V235-W238 PolarHBondContact O-N 2.77Å; W238-R240 PolarHBondContact O-N 3.37Å; W238-R241 PolarHBondContact O-N 2.9Å; W238-K242 HydrophobicContact CH2-CD 3.72Å; W238-K242 HydrophobicContact CZ2-CD 3.82Å; W238-K242 HydrophobicContact CZ3-CD 4.14Å; W238-K242 WeakPolarHBondContact O-CB 3.23Å; W238-K242 PolarHBondContact O-N 3.44Å
239M80.8Confident83.8Confident5 Ų583.2 Ų83.23%0.02539%0.388CS..Hα-helixtrans-60.2-44.9175.1-72.3-174.472.400111.2L180 L183 V235 R241 K242 I243 L511 F514L180-M239 HydrophobicContact CD2-CB 3.83Å; L183-M239 HydrophobicContact CD1-CE 3.8Å; L183-M239 HydrophobicContact CD1-SD 3.39Å; L183-M239 WeakPolarHBondContact CD1-SD 3.44Å; V235-M239 HydrophobicContact CG1-CG 4.05Å; V235-M239 HydrophobicContact CG1-SD 3.78Å; V235-M239 WeakPolarHBondContact O-CB 3.44Å; V235-M239 WeakPolarHBondContact O-CG 3.46Å; V235-M239 PolarHBondContact O-N 3.09Å; M239-R241 VanDerWaalsContact C-N 3.34Å; M239-R241 PolarHBondContact O-N 3.49Å; M239-K242 PolarHBondContact O-N 3Å; M239-K242 VanDerWaalsContact O-N 3.09Å; M239-I243 WeakPolarHBondContact O-CB 3.02Å; M239-I243 VanDerWaalsContact O-CG1 3.32Å; M239-I243 WeakPolarHBondContact O-CG1 3.49Å; M239-I243 PolarHBondContact O-N 2.89Å; M239-L511 HydrophobicContact CE-CD1 3.97Å; M239-F514 HydrophobicContact CE-CB 3.81Å; M239-F514 HydrophobicContact CE-CD1 3.75Å; M239-F514 HydrophobicContact CE-CG 4.09Å; M239-F514 HydrophobicContact SD-CD1 3.47Å; M239-F514 WeakPolarHBondContact SD-CD1 3.37Å; M239-F514 HydrophobicContact SD-CE1 3.89Å; M239-F514 HydrophobicContact SD-CG 4.27Å
240R83.4Confident82.9Confident184 Ų18484.9 Ų84.969%0.69439%0.388SS*.Hα-helixtrans-58.5-42.7175.9-168.7179.4-178.1-144.7-0.7112.3L180 C236 W238 A244L180-R240 HydrophobicContact CD1-CB 4.03Å; L180-R240 HydrophobicContact CD1-CG 4.26Å; C236-R240 WeakPolarHBondContact O-CB 3.46Å; C236-R240 PolarHBondContact O-N 3.42Å; W238-R240 PolarHBondContact O-N 3.37Å; R240-A244 VanDerWaalsContact O-CB 3.26Å; R240-A244 WeakPolarHBondContact O-CB 3.26Å; R240-A244 PolarHBondContact O-N 3.45Å; R240-A244 VanDerWaalsContact O-N 3.09Å
241R83.3Confident82Confident190 Ų19086.8 Ų86.872%0.71739%0.392SS*.Hα-helixtrans-64.3-41.4173.8-69.9172-156.7179.17.3111.6P237 W238 M239 S245P237-R241 VanDerWaalsContact O-CG 3.25Å; P237-R241 WeakPolarHBondContact O-CG 3.19Å; P237-R241 PolarHBondContact O-N 3.46Å; W238-R241 PolarHBondContact O-N 2.9Å; M239-R241 VanDerWaalsContact C-N 3.34Å; M239-R241 PolarHBondContact O-N 3.49Å; R241-S245 WeakPolarHBondContact O-CB 3.37Å; R241-S245 PolarHBondContact O-N 2.85Å
242K80.6Confident81.2Confident88 Ų8888.7 Ų88.738%0.38341%0.408SS..Hα-helixtrans-67.1-47.6-178.3-166.5175.5-177.8-176.30111.8W238 M239 S245 R246W238-K242 HydrophobicContact CH2-CD 3.72Å; W238-K242 HydrophobicContact CZ2-CD 3.82Å; W238-K242 HydrophobicContact CZ3-CD 4.14Å; W238-K242 WeakPolarHBondContact O-CB 3.23Å; W238-K242 PolarHBondContact O-N 3.44Å; M239-K242 PolarHBondContact O-N 3Å; M239-K242 VanDerWaalsContact O-N 3.09Å; K242-S245 PolarHBondContact O-N 2.91Å; K242-S245 PolarHBondContact O-OG 3.29Å; K242-R246 PolarHBondContact O-N 3.26Å
243I79.7Confident80.3Confident9 Ų985.3 Ų85.35%0.04640%0.4CS..Hα-helixtrans-56.9-53173.6-66.4161.4000109.6V176 L180 M239 S245 R246 L247 E507 L510V176-I243 HydrophobicContact CG1-CD1 4.25Å; L180-I243 HydrophobicContact CD2-CD1 4.42Å; M239-I243 WeakPolarHBondContact O-CB 3.02Å; M239-I243 VanDerWaalsContact O-CG1 3.32Å; M239-I243 WeakPolarHBondContact O-CG1 3.49Å; M239-I243 PolarHBondContact O-N 2.89Å; I243-S245 PolarHBondContact O-N 2.97Å; I243-R246 PolarHBondContact O-N 2.98Å; I243-L247 HydrophobicContact CG2-CD1 3.74Å; I243-L247 PolarHBondContact O-N 3.37Å; I243-E507 HydrophobicContact CG2-CB 4.35Å; I243-L510 HydrophobicContact CG1-CD2 3.6Å
244A79Confident79.3Confident44 Ų4483 Ų8336%0.36439%0.394SS..Hα-helixtrans-59.7-29.7177.900000114.1R240 K248R240-A244 VanDerWaalsContact O-CB 3.26Å; R240-A244 WeakPolarHBondContact O-CB 3.26Å; R240-A244 PolarHBondContact O-N 3.45Å; R240-A244 VanDerWaalsContact O-N 3.09Å; A244-K248 VanDerWaalsContact O-CG 3.32Å; A244-K248 WeakPolarHBondContact O-CG 3.15Å; A244-K248 PolarHBondContact O-N 3.12Å
245S80Confident78.4Confident67 Ų6785.1 Ų85.147%0.46940%0.397SS..Hα-helixtrans-76-34175.174.40000113.3R241 K242 I243 K249R241-S245 WeakPolarHBondContact O-CB 3.37Å; R241-S245 PolarHBondContact O-N 2.85Å; K242-S245 PolarHBondContact O-N 2.91Å; K242-S245 PolarHBondContact O-OG 3.29Å; I243-S245 PolarHBondContact O-N 2.97Å; S245-K249 PolarHBondContact O-N 3.18Å
246R76.2Confident77.8Confident125 Ų12588.8 Ų88.847%0.47242%0.415SS..Hα-helixtrans-69.4-49.2176.4-77.1-75.6-171.3-171.52110.7K242 I243 K248 K249 E250 L510K242-R246 PolarHBondContact O-N 3.26Å; I243-R246 PolarHBondContact O-N 2.98Å; R246-K248 VanDerWaalsContact C-N 3.29Å; R246-K248 PolarHBondContact O-N 3.01Å; R246-K249 CarbonylContact O-C 3.59Å; R246-K249 WeakPolarHBondContact O-CA 3.45Å; R246-K249 WeakPolarHBondContact O-CB 3.44Å; R246-K249 PolarHBondContact O-N 3.01Å; R246-E250 PolarHBondContact O-N 2.93Å; R246-L510 HydrophobicContact CB-CD1 4.44Å; R246-L510 HydrophobicContact CG-CD1 3.92Å
247L73.3Confident76.9Confident44 Ų4491.1 Ų91.123%0.2343%0.431CS..Hα-helixtrans-53-44.9174.4-76.3155.5000112.5I243 K249 E250 Q251 E507I243-L247 HydrophobicContact CG2-CD1 3.74Å; I243-L247 PolarHBondContact O-N 3.37Å; L247-K249 VanDerWaalsContact C-N 3.29Å; L247-K249 PolarHBondContact O-N 3.19Å; L247-E250 PolarHBondContact O-N 3.41Å; L247-Q251 WeakPolarHBondContact O-CB 3.39Å; L247-Q251 WeakPolarHBondContact O-CG 3.48Å; L247-Q251 PolarHBondContact O-N 3.45Å; L247-E507 HydrophobicContact CD1-CG 4.02Å; L247-E507 WeakPolarHBondContact CD1-OE1 3.38Å; L247-E507 HydrophobicContact CD2-CG 3.86Å; L247-E507 HydrophobicContact CG-CG 4.3Å
248K78.9Confident76Confident152 Ų15293 Ų9366%0.66144%0.438SS*.Hα-helixtrans-64.1-31.7175.6-76.7179179.2-172.60113.4A244 R246 A252A244-K248 VanDerWaalsContact O-CG 3.32Å; A244-K248 WeakPolarHBondContact O-CG 3.15Å; A244-K248 PolarHBondContact O-N 3.12Å; R246-K248 VanDerWaalsContact C-N 3.29Å; R246-K248 PolarHBondContact O-N 3.01Å; K248-A252 VanDerWaalsContact O-CB 3.31Å; K248-A252 WeakPolarHBondContact O-CB 3.28Å; K248-A252 PolarHBondContact O-N 3.1Å; K248-A252 VanDerWaalsContact O-N 3.15Å
249K76.8Confident75.3Confident114 Ų11492 Ų9250%0.49644%0.44SS..Hα-helixtrans-74.3-42.6175.1-162.6-165.6177.5-154.90110.9S245 R246 L247 A252 L253S245-K249 PolarHBondContact O-N 3.18Å; R246-K249 CarbonylContact O-C 3.59Å; R246-K249 WeakPolarHBondContact O-CA 3.45Å; R246-K249 WeakPolarHBondContact O-CB 3.44Å; R246-K249 PolarHBondContact O-N 3.01Å; L247-K249 VanDerWaalsContact C-N 3.29Å; L247-K249 PolarHBondContact O-N 3.19Å; K249-A252 PolarHBondContact O-N 3.36Å; K249-L253 HydrophobicContact CD-CD1 4.42Å; K249-L253 HydrophobicContact CG-CD1 4.22Å; K249-L253 WeakPolarHBondContact O-CB 3.35Å; K249-L253 WeakPolarHBondContact O-CG 3.49Å; K249-L253 PolarHBondContact O-N 3.27Å
250E74.6Confident74.2Confident79 Ų7995 Ų9537%0.36946%0.461SS..Hα-helixtrans-61.5-47.8175.7-73.8167.9-16600111.2R246 L247 A252 L253 S254 S506R246-E250 PolarHBondContact O-N 2.93Å; L247-E250 PolarHBondContact O-N 3.41Å; E250-A252 VanDerWaalsContact C-N 3.27Å; E250-A252 PolarHBondContact O-N 3.04Å; E250-L253 PolarHBondContact O-N 2.91Å; E250-S254 PolarHBondContact O-N 3.1Å; E250-S506 PolarHBondContact OE1-OG 3.26Å; E250-S506 PolarHBondContact OE2-OG 3.18Å
251Q72.6Confident72.8Confident113 Ų11391.2 Ų91.253%0.52845%0.454SS..Hα-helixtrans-64.1-26.7174.2-72.7178.9-1800114L247 S254 R255L247-Q251 WeakPolarHBondContact O-CB 3.39Å; L247-Q251 WeakPolarHBondContact O-CG 3.48Å; L247-Q251 PolarHBondContact O-N 3.45Å; Q251-S254 PolarHBondContact O-OG 3.38Å; Q251-R255 WeakPolarHBondContact O-CD 3.19Å; Q251-R255 VanDerWaalsContact O-CG 3.25Å; Q251-R255 WeakPolarHBondContact O-CG 3.27Å; Q251-R255 PolarHBondContact O-N 3.13Å
252A71.8Confident71.3Confident45 Ų4588.9 Ų88.937%0.37246%0.455SS..Hα-helixtrans-77-39.7173.200000111.3K248 K249 E250 I256K248-A252 VanDerWaalsContact O-CB 3.31Å; K248-A252 WeakPolarHBondContact O-CB 3.28Å; K248-A252 PolarHBondContact O-N 3.1Å; K248-A252 VanDerWaalsContact O-N 3.15Å; K249-A252 PolarHBondContact O-N 3.36Å; E250-A252 VanDerWaalsContact C-N 3.27Å; E250-A252 PolarHBondContact O-N 3.04Å; A252-I256 WeakPolarHBondContact O-CD1 3.13Å; A252-I256 VanDerWaalsContact O-CG1 3.22Å; A252-I256 WeakPolarHBondContact O-CG1 3.39Å; A252-I256 PolarHBondContact O-N 2.91Å; A252-I256 VanDerWaalsContact O-N 3.1Å
253L71.6Confident69.8Low72 Ų7291 Ų9138%0.37747%0.465SS..Hα-helixtrans-67.1-42.4176.1-77.8163.5000112.1K249 E250 I256 S257K249-L253 HydrophobicContact CD-CD1 4.42Å; K249-L253 HydrophobicContact CG-CD1 4.22Å; K249-L253 WeakPolarHBondContact O-CB 3.35Å; K249-L253 WeakPolarHBondContact O-CG 3.49Å; K249-L253 PolarHBondContact O-N 3.27Å; E250-L253 PolarHBondContact O-N 2.91Å; L253-I256 PolarHBondContact O-N 3.09Å; L253-S257 PolarHBondContact O-N 3.09Å
254S70.3Confident68.1Low56 Ų5696.4 Ų96.439%0.39249%0.492SS..Hα-helixtrans-60.4-48.7176.375.50000110.7E250 Q251 I256 S257 D258E250-S254 PolarHBondContact O-N 3.1Å; Q251-S254 PolarHBondContact O-OG 3.38Å; S254-I256 VanDerWaalsContact C-N 3.28Å; S254-I256 PolarHBondContact O-N 3.36Å; S254-S257 CarbonylContact O-C 3.55Å; S254-S257 WeakPolarHBondContact O-CA 3.26Å; S254-S257 VanDerWaalsContact O-CB 3.24Å; S254-S257 WeakPolarHBondContact O-CB 3.39Å; S254-S257 PolarHBondContact O-N 2.91Å; S254-D258 PolarHBondContact O-N 3.02Å
255R70.1Confident66.1Low182 Ų18299.2 Ų99.269%0.68751%0.507SS*.Hα-helixtrans-58.2-37175.6-73.7175.9-177.6-160.7-0.7113.6Q251 S257 E259Q251-R255 WeakPolarHBondContact O-CD 3.19Å; Q251-R255 VanDerWaalsContact O-CG 3.25Å; Q251-R255 WeakPolarHBondContact O-CG 3.27Å; Q251-R255 PolarHBondContact O-N 3.13Å; R255-S257 VanDerWaalsContact C-N 3.35Å; R255-E259 WeakPolarHBondContact O-CB 3.34Å; R255-E259 PolarHBondContact O-N 2.73Å
256I73.3Confident64.2Low108 Ų108105.8 Ų105.855%0.55453%0.53SS*.Hα-helixtrans-70.2-34.9176-69162.5000110.9A252 L253 S254 S260A252-I256 WeakPolarHBondContact O-CD1 3.13Å; A252-I256 VanDerWaalsContact O-CG1 3.22Å; A252-I256 WeakPolarHBondContact O-CG1 3.39Å; A252-I256 PolarHBondContact O-N 2.91Å; A252-I256 VanDerWaalsContact O-N 3.1Å; L253-I256 PolarHBondContact O-N 3.09Å; S254-I256 VanDerWaalsContact C-N 3.28Å; S254-I256 PolarHBondContact O-N 3.36Å; I256-S260 VanDerWaalsContact O-CB 3.32Å; I256-S260 WeakPolarHBondContact O-CB 3.26Å; I256-S260 PolarHBondContact O-N 2.93Å; I256-S260 VanDerWaalsContact O-N 3.16Å; I256-S260 PolarHBondContact O-OG 3.11Å
257S66.9Low62.4Low62 Ų62108 Ų10843%0.43455%0.546SS..Hα-helixtrans-64.8-51.8173-168.60000110.8L253 S254 R255 E259 S260 L261L253-S257 PolarHBondContact O-N 3.09Å; S254-S257 CarbonylContact O-C 3.55Å; S254-S257 WeakPolarHBondContact O-CA 3.26Å; S254-S257 VanDerWaalsContact O-CB 3.24Å; S254-S257 WeakPolarHBondContact O-CB 3.39Å; S254-S257 PolarHBondContact O-N 2.91Å; R255-S257 VanDerWaalsContact C-N 3.35Å; S257-E259 PolarHBondContact O-N 2.95Å; S257-S260 WeakPolarHBondContact O-CA 3.31Å; S257-S260 WeakPolarHBondContact O-CB 3.4Å; S257-S260 PolarHBondContact O-N 3.35Å; S257-S260 PolarHBondContact O-OG 3.2Å; S257-L261 PolarHBondContact O-N 3.42Å
258D67.8Low60.6Low85 Ų85114.8 Ų114.846%0.45558%0.576SS.*Hα-helixtrans-60-48.2179.4-53.2-27.8000110.6S254 S260 L261 D262S254-D258 PolarHBondContact O-N 3.02Å; D258-S260 PolarHBondContact O-N 2.82Å; D258-S260 VanDerWaalsContact O-N 3.08Å; D258-L261 PolarHBondContact O-N 3.44Å; D258-D262 PolarHBondContact O-N 2.84Å
259E69.8Low58.6Low109 Ų109117.3 Ų117.351%0.50959%0.591SS.*Hα-helixtrans-67.4-8.5176-156.5-162143.100113.7R255 S257 K263R255-E259 WeakPolarHBondContact O-CB 3.34Å; R255-E259 PolarHBondContact O-N 2.73Å; S257-E259 PolarHBondContact O-N 2.95Å; E259-K263 VanDerWaalsContact O-CD 3.29Å; E259-K263 WeakPolarHBondContact O-CD 3.39Å; E259-K263 WeakPolarHBondContact O-CE 3.38Å; E259-K263 WeakPolarHBondContact O-CG 3.38Å; E259-K263 PolarHBondContact O-NZ 2.86Å; E259-K263 IonicContact OE1-NZ 2.61Å; E259-K263 PolarHBondContact OE1-NZ 3.48Å
260S58.1Low56.4Low67 Ų67120.1 Ų120.147%0.46961%0.606SS.*Hα-helixtrans-97-25.1171.576.20000113.2I256 S257 D258I256-S260 VanDerWaalsContact O-CB 3.32Å; I256-S260 WeakPolarHBondContact O-CB 3.26Å; I256-S260 PolarHBondContact O-N 2.93Å; I256-S260 VanDerWaalsContact O-N 3.16Å; I256-S260 PolarHBondContact O-OG 3.11Å; S257-S260 WeakPolarHBondContact O-CA 3.31Å; S257-S260 WeakPolarHBondContact O-CB 3.4Å; S257-S260 PolarHBondContact O-N 3.35Å; S257-S260 PolarHBondContact O-OG 3.2Å; D258-S260 PolarHBondContact O-N 2.82Å; D258-S260 VanDerWaalsContact O-N 3.08Å
261L54.6Low54.2Low105 Ų105120.7 Ų120.755%0.5562%0.618SS.*Hα-helixtrans-76-46.4170.6-69.1166.3000110.2S257 D258 K263 I264S257-L261 PolarHBondContact O-N 3.42Å; D258-L261 PolarHBondContact O-N 3.44Å; L261-K263 PolarHBondContact O-N 3.42Å; L261-I264 PolarHBondContact O-N 2.95Å
262D51.7Low52.3Low140 Ų140121.8 Ų121.875%0.74964%0.635SS**THydrogen-bonded Turntrans-61.5-7.5175.1-73.9-12000114.3D258D258-D262 PolarHBondContact O-N 2.84Å
263K48.2Very low50.2Low133 Ų133125.5 Ų125.558%0.57865%0.653SS**THydrogen-bonded Turntrans-1068.7177.8-75.8-179.5-167.9143.30114.2E259 L261 P265E259-K263 VanDerWaalsContact O-CD 3.29Å; E259-K263 WeakPolarHBondContact O-CD 3.39Å; E259-K263 WeakPolarHBondContact O-CE 3.38Å; E259-K263 WeakPolarHBondContact O-CG 3.38Å; E259-K263 PolarHBondContact O-NZ 2.86Å; E259-K263 IonicContact OE1-NZ 2.61Å; E259-K263 PolarHBondContact OE1-NZ 3.48Å; L261-K263 PolarHBondContact O-N 3.42Å; K263-P265 WeakPolarHBondContact O-CD 3.22Å
264I44.1Very low48.2Very low122 Ų122131.2 Ų131.263%0.62668%0.675SS**SBendtrans-85.9107.5160.8-56.9173.1000105.6L261L261-I264 PolarHBondContact O-N 2.95Å
265P37.5Very low46.2Very low103 Ų103138.1 Ų138.167%0.66970%0.698SS**  trans-68.2138.4179.5-15.131.2000110.1K263 E267K263-P265 WeakPolarHBondContact O-CD 3.22Å; P265-E267 PolarHBondContact O-N 3.38Å
266E40.9Very low44.3Very low205 Ų205137.6 Ų137.696%0.95870%0.703SS**SBendtrans-72.160.7166-64-178.3151.400110.8
267E38Very low42.2Very low171 Ų171140.7 Ų140.780%0.79972%0.72SS**  trans-131118170.9-72.5-170.1168.200110P265P265-E267 PolarHBondContact O-N 3.38Å
268E34.8Very low40.3Very low187 Ų187143.9 Ų143.987%0.87474%0.739SS**  trans120.350171.2-64.9-173.8179.200116.9E270E268-E270 PolarHBondContact O-N 3.42Å
269E37.4Very low38.5Very low206 Ų206143.5 Ų143.596%0.96376%0.756SS**  trans-74.374132.7-89.1-153.913800109.4
270E30.8Very low36.4Very low173 Ų173143.5 Ų143.581%0.80877%0.774SS**SBendtrans-150.1135.1158.8-124.6178.7-147.100111.8E268E268-E270 PolarHBondContact O-N 3.42Å
271S29.1Very low34.9Very low91 Ų91150.5 Ų150.564%0.63680%0.796SS**  trans-62.9143.2-175.859.80000112.3V273S271-V273 PolarHBondContact O-N 3.4Å
272P32Very low33.7Very low135 Ų135148.9 Ų148.988%0.87780%0.804SS**  trans-71.391.6-17628.9-35.4000112.1
273V28.1Very low32.5Very low123 Ų123149 Ų14975%0.74581%0.81SS**  trans-78.1120.9167.7176.30000109.1S271 K275S271-V273 PolarHBondContact O-N 3.4Å; V273-K275 PolarHBondContact O-N 2.91Å
274F28.1Very low31.4Very low192 Ų192150.4 Ų150.484%0.84282%0.824SS**  trans-61.1124.6-178.5-141.8-100.2000111.2
275K29.7Very low30.6Very low202 Ų202154.1 Ų154.188%0.87884%0.839SS**  trans-118.1106.3176.8-157.9168.8-169.5169.30110.1V273V273-K275 PolarHBondContact O-N 2.91Å
276E30.3Very low30.2Very low170 Ų170153.4 Ų153.479%0.79484%0.842SS**PPolyproline II helixtrans-67.1143-179.2-64.1-172.4147.300112.2
277L27.9Very low29.5Very low174 Ų174150.1 Ų150.191%0.91184%0.836SS**PPolyproline II helixtrans-85.2123.9171.3-82.4160.5000110.1
278P27.5Very low29.2Very low128 Ų128148.4 Ų148.483%0.83184%0.836SS**PPolyproline II helixtrans-82.5140.1178.932.3-33.5000111.9
279G29.8Very low29.1Very low78 Ų78144.7 Ų144.780%0.80483%0.829SS**  trans120.448.6154.900000118.7
280A25.5Very low28.6Very low108 Ų108142.2 Ų142.289%0.89382%0.821SS**  trans-96.193.3158.500000110.1
281K28.1Very low28.4Very low215 Ų215140.8 Ų140.894%0.93583%0.825SS**  trans-80.2123.7163.8-79.6-174.1176-179.70108.4
282G29.1Very low28.1Very low70 Ų70140.4 Ų140.472%0.72283%0.834SS**  trans-84.7161177.700000113.2
283T25.7Very low27.7Very low143 Ų143137.2 Ų137.288%0.87783%0.827SS**  trans-162.6123.9147.918.60000107.6
284D26.2Very low27.5Very low162 Ų162137.1 Ų137.187%0.86683%0.831SS**  trans-70.9145.1161.5-66-62.2000109.5
285E27.1Very low27.4Very low200 Ų200132.6 Ų132.694%0.93582%0.824SS**  -172.1169.6110.9-103.9-167.2-174.300111.4
286A28.6Very low27.2Very low88 Ų88130.2 Ų130.273%0.72782%0.82SS**  trans-103-166.3-162.800000114.1
287V25.3Very low27Very low137 Ų137133.2 Ų133.283%0.8382%0.824SS**  trans100.5125.3163.1-171.30000116.8
288V32.2Very low26.8Very low134 Ų134129.4 Ų129.481%0.81281%0.812SS**  trans-111.7131.9169.6170.60000105.6
289P32.2Very low26.8Very low110 Ų110128.8 Ų128.871%0.71481%0.806SS**  -156.3150.110138.2-17.8000119.1
290L26.8Very low26.6Very low153 Ų153134.7 Ų134.780%0.80180%0.804SS**  trans22.1144.7134.2-78.2163.9000123.8
291T26.5Very low26.6Very low144 Ų144135.4 Ų135.488%0.88379%0.793SS**  trans80.7144.2154.263.70000120.8
292G23.9Very low26.6Very low82 Ų82130.7 Ų130.785%0.84579%0.787SS**  trans138.4116.8167.400000113
293G24.2Very low26.4Very low69 Ų69133.2 Ų133.271%0.71179%0.794SS**  trans-103.2-160.7179.400000114.3
294S23.3Very low26.4Very low121 Ų121129.9 Ų129.985%0.84679%0.788SS**  trans73.8150-17780.70000115.1
295S25Very low26.4Very low97 Ų97130.6 Ų130.668%0.67879%0.786SS**  cis-172.7151.5-23.547.10000108.9
296D25.2Very low26.3Very low152 Ų152127.9 Ų127.981%0.81378%0.778SS**  trans38.3118.8153.8-64.6-17.9000121.4
297R27.3Very low26.2Very low232 Ų232127.9 Ų127.988%0.87577%0.772SS**  -175.1114107.4-95.6165.6178.9-167.7-0.8108.3
298S24Very low26.3Very low94 Ų94128.2 Ų128.266%0.65777%0.769SS**  50.5120.590.9820000112.1
299T26.3Very low26Very low115 Ų115130.4 Ų130.471%0.70677%0.773SS**  cis-16214448.440.10000114.2
300R26.6Very low25.8Very low203 Ų203130.4 Ų130.477%0.76678%0.782SS**  trans66.2116.5132.8-63.9-17794.2142.211.4118.4
301D25.2Very low25.9Very low122 Ų122131.2 Ų131.265%0.65279%0.787SS**  94.6140.390.6-67.8-8.5000108.6
302S27.8Very low25.9Very low117 Ų117128 Ų12882%0.81878%0.782SS**  cis-158.8159.72.7370000110.5
303S24.9Very low25.9Very low122 Ų122127.9 Ų127.985%0.85378%0.781SS**  trans-80.2159.217751.40000114.7
304G26.1Very low26.2Very low74 Ų74131.5 Ų131.576%0.76379%0.79SS**  trans105147.7166.100000113.8
305E25.5Very low26.5Very low176 Ų176132.9 Ų132.982%0.82279%0.792SS**  cis-168.2-175.3-2.8-140.6174-16100109.6
306L26.1Very low27.1Very low144 Ų144135.7 Ų135.775%0.75480%0.799SS**  trans76.291.9156.6-69.3150.5000121.5
307S25.8Very low27.4Very low88 Ų88133.9 Ų133.962%0.61580%0.796SS**  61.4132.1112.4710000124.5
308N27.1Very low27.5Very low143 Ų143130.8 Ų130.877%0.76580%0.796SS**  trans84.3103.6139.6-68.7-4.1000122.3
309M27.2Very low27.8Very low181 Ų181129.5 Ų129.589%0.89280%0.798SS**  43.2111.8129.3-69.2176.164.100119.8
310A27.9Very low27.8Very low109 Ų109136 Ų13690%0.90181%0.81SS**  trans-126.2131.2148.800000109.5
311N28.1Very low27.9Very low171 Ų171132.3 Ų132.391%0.91481%0.81SS**  trans-124.1128.3176-159.614.9000107.2
312G27.6Very low27.8Very low76 Ų76137.4 Ų137.478%0.78482%0.821SS**  trans167.4105.5-177.200000113.3
313G23.3Very low27.7Very low79 Ų79135.5 Ų135.581%0.81482%0.82SS**  trans-100156.4172.500000112.5
314T29.3Very low27.7Very low146 Ų146140.9 Ų140.990%0.89682%0.821SS**  trans-132.6148.2171.341.70000110.9
315V30.2Very low27.6Very low149 Ų149142.5 Ų142.590%0.90382%0.817SS**PPolyproline II helixtrans-99.2150.2-170.1176.10000111.5
316L38.3Very low27.6Very low157 Ų157142.2 Ų142.282%0.82282%0.815SS**PPolyproline II helixtrans-84.3160.7-170.2-59.9158.6000114.5
317P31.4Very low27.5Very low114 Ų114140.3 Ų140.374%0.7481%0.814SS**SBendtrans-100.6134.8150.833-23.4000112.3
318N28.4Very low27.5Very low166 Ų166144.9 Ų144.989%0.88883%0.828SS**SBendtrans76.757165.1-58.5-2.3000120.7
319G31.7Very low27.4Very low67 Ų67144 Ų14469%0.69183%0.828SS**  7286.7120.200000123.5
320R25.8Very low27.4Very low251 Ų251144 Ų14495%0.94783%0.831SS**  trans67.8151.3164.4-55.3-176.2172.7-176-1.7114.3
321V27.7Very low27.2Very low127 Ų127142.5 Ų142.577%0.7783%0.826SS**  cis-154.2151.444.4161.50000112.8
322Y24.4Very low27Very low229 Ų229140.6 Ų140.690%0.89883%0.825SS**  trans10.9137.6160.1-82-106.7000124.2
323G25.9Very low26.9Very low76 Ų76145.1 Ų145.178%0.78483%0.83SS**  trans-138.8130.4158.400000111.8
324R24.4Very low27Very low235 Ų235151.3 Ų151.389%0.88784%0.835SS**  trans-65.4163.2-165.7-124.6175.5-175.2161-0.9117
325T24.1Very low26.8Very low108 Ų108149.8 Ų149.866%0.66383%0.83SS**  trans101.7132.8138.9450000125.1
326H24.6Very low26.7Very low171 Ų171148 Ų14879%0.79282%0.821SS**  trans64.5100.5152.3-62.5-56.7000121.9
327S23.4Very low26.1Very low104 Ų104148.7 Ų148.773%0.72782%0.824SS**  trans-61.3134.7154-176.70000111
328M26.4Very low25.8Very low184 Ų184147.9 Ų147.991%0.90683%0.827SS**  trans-104.1107.7166-67.1-176.472.600109.3
329T25.4Very low25.7Very low125 Ų125148.5 Ų148.577%0.76783%0.831SS**  trans-136.298164.649.50000109.1
330N26.1Very low25.4Very low179 Ų179149 Ų14996%0.95784%0.836SS**  trans-140.8118.8171.7-142.3-4.1000108
331G24.8Very low25.2Very low78 Ų78142 Ų14280%0.80483%0.825SS**  trans140.784.5-17900000114.5
332C24.8Very low25Very low132 Ų132145.9 Ų145.989%0.89283%0.832SS**  trans-120.4141.5149.6-164.50000109.1
333L25.4Very low24.9Very low170 Ų170141.3 Ų141.389%0.8983%0.828SS**PPolyproline II helixtrans-83.4146.9-170.2-72.2133000111.6
334K24.9Very low24.9Very low210 Ų210147.3 Ų147.391%0.91383%0.833SS**PPolyproline II helixtrans-65.9137.4169.4-66.4177.5175.4-1800110.5
335S24Very low24.8Very low114 Ų114143.3 Ų143.380%0.79783%0.829SS**PPolyproline II helixtrans-101.1143.8152.769.70000109.5
336P28Very low24.9Very low110 Ų110141 Ų14171%0.71483%0.826SS**PPolyproline II helixtrans-100.4146.6177.536.3-31.4000112.1
337I25.4Very low24.8Very low172 Ų172141.9 Ų141.988%0.88283%0.83SS**  trans160.4105.4135.8-81.2152.8000109
338A26.8Very low24.8Very low97 Ų97146 Ų14680%0.80284%0.84SS**  trans175.8115.4143.200000108.7
339N24.9Very low24.8Very low180 Ų180148.5 Ų148.596%0.96384%0.84SS**  trans-84.7136.9-178.7-70.3-28.8000111.3
340G25.9Very low25Very low77 Ų77148.3 Ų148.379%0.79484%0.844SS**  trans-176.955.7-179.500000115F342G340-F342 PolarHBondContact O-N 3.03Å
341S22.7Very low25Very low104 Ų104145.4 Ų145.473%0.72783%0.828SS**  trans-37.8126.2177.9157.20000116.2
342F23.6Very low25.4Very low209 Ų209145.7 Ų145.792%0.91783%0.831SS**  -154.4127.4123.5-111-75.4000111G340G340-F342 PolarHBondContact O-N 3.03Å
343T22.2Very low25.5Very low132 Ų132144.5 Ų144.581%0.8181%0.812SS**  trans-100.9137.2178.446.40000111.6
344F24Very low25.5Very low203 Ų203142.6 Ų142.689%0.8981%0.807SS**  trans-127.7128.5151.7-169.1-96.5000108.9
345D23.9Very low25.6Very low151 Ų151142 Ų14281%0.80780%0.801SS**  trans-100.2136.8-175.8-166.96000109.5
346G25Very low25.9Very low58 Ų58144.9 Ų144.960%0.59880%0.801SS**  trans172.985-16900000115.4M348G346-M348 PolarHBondContact O-N 2.98Å
347H24Very low26.3Very low190 Ų190145.3 Ų145.388%0.8880%0.802SS**  trans-15110170-80.7-78.9000117.4R349H347-R349 PolarHBondContact O-N 3.34Å
348M22.9Very low26.8Very low190 Ų190141.8 Ų141.894%0.93679%0.788SS**  trans-68.8115.2158.7-73.7176.670.500110.1G346G346-M348 PolarHBondContact O-N 2.98Å
349R25.7Very low27.2Very low237 Ų237143.5 Ų143.589%0.89478%0.779SS**  trans-88.9123.8156.6-100.8-178.4162.5156.3-5.2108.4H347 D351H347-R349 PolarHBondContact O-N 3.34Å; R349-D351 PolarHBondContact O-N 3.22Å
350S30.1Very low27.9Very low122 Ų122142.2 Ų142.285%0.85377%0.765SS**  trans-73102.3168.9173.30000109.6
351D25.9Very low28.3Very low118 Ų118143.8 Ų143.863%0.63176%0.755SS**  trans-119.1114.9159.8-92.2-22.6000106.6R349 Q353R349-D351 PolarHBondContact O-N 3.22Å; D351-Q353 PolarHBondContact O-N 3.28Å
352G33.8Very low29.4Very low83 Ų83140.3 Ų140.386%0.85673%0.731SS**  trans-67.8114.9179.300000111.2
353Q26Very low30.2Very low108 Ų108132.2 Ų132.251%0.50571%0.706SS.*  trans-119.7116.1168.8-67.2-170.310.600109.1D351 Y355D351-Q353 PolarHBondContact O-N 3.28Å; Q353-Y355 WeakPolarHBondContact O-CD2 3.39Å; Q353-Y355 WeakPolarHBondContact O-CE2 3.25Å; Q353-Y355 PolarHBondContact O-N 3.25Å
354V26.5Very low31.2Very low129 Ų129131.8 Ų131.878%0.78270%0.699SS**  trans-71.1123.7173.51790000108.4
355Y26.5Very low32.2Very low198 Ų198126.9 Ų126.978%0.77668%0.675SS**  trans-90.7125.5176-63.7-86.5000109.9Q353Q353-Y355 WeakPolarHBondContact O-CD2 3.39Å; Q353-Y355 WeakPolarHBondContact O-CE2 3.25Å; Q353-Y355 PolarHBondContact O-N 3.25Å
356H30.5Very low33.3Very low175 Ų175125.8 Ų125.881%0.8166%0.663SS**  trans-96.7103.4168.5-83.1-87.5000110.3
357T35Very low34.2Very low118 Ų118126.2 Ų126.272%0.72465%0.652SS**  trans-83.7106.6164.340.30000109.2H359T357-H359 PolarHBondContact O-N 2.93Å
358V36.1Very low35.4Very low99 Ų99121.1 Ų121.160%0.663%0.63SS**  trans-78.8106.4178.8179.10000109.1S362V358-S362 WeakPolarHBondContact CG1-OG 3.29Å
359H36.3Very low36.8Very low132 Ų132116.2 Ų116.261%0.61161%0.607SS**  trans-64.8154.3179-91.9-110.3000112.8T357 D361 S362T357-H359 PolarHBondContact O-N 2.93Å; H359-D361 PolarHBondContact O-N 3.24Å; H359-D361 VanDerWaalsContact O-N 3.13Å; H359-S362 VanDerWaalsContact O-CB 3.28Å; H359-S362 WeakPolarHBondContact O-CB 3.5Å; H359-S362 PolarHBondContact O-N 3.38Å; H359-S362 VanDerWaalsContact O-N 3.09Å; H359-S362 PolarHBondContact O-OG 3.5Å
360K38.5Very low37.8Very low153 Ų153110.4 Ų110.467%0.66559%0.59SS**THydrogen-bonded Turntrans-54.5-30.1176.9-172.9-171.8173.5-162.60112.8Y365K360-Y365 HydrophobicContact CG-CE1 4.26Å; K360-Y365 WeakPolarHBondContact O-CD1 3.48Å
361D35.8Very low38.7Very low110 Ų110110.5 Ų110.559%0.58858%0.575SS**THydrogen-bonded Turntrans-92.2-2.7-174.4-47.5-61.9000113.3H359H359-D361 PolarHBondContact O-N 3.24Å; H359-D361 VanDerWaalsContact O-N 3.13Å
362S45.1Very low40Very low31 Ų31108.2 Ų108.222%0.21756%0.563CS.*  trans-58.3138.8177.861.40000112.3V358 H359 L364 Y365 K366V358-S362 WeakPolarHBondContact CG1-OG 3.29Å; H359-S362 VanDerWaalsContact O-CB 3.28Å; H359-S362 WeakPolarHBondContact O-CB 3.5Å; H359-S362 PolarHBondContact O-N 3.38Å; H359-S362 VanDerWaalsContact O-N 3.09Å; H359-S362 PolarHBondContact O-OG 3.5Å; S362-L364 PolarHBondContact O-N 3.3Å; S362-L364 VanDerWaalsContact O-N 3.11Å; S362-Y365 WeakPolarHBondContact O-CB 3.41Å; S362-Y365 PolarHBondContact O-N 3.27Å; S362-K366 PolarHBondContact O-N 3.25Å
363G41.2Very low40.6Very low39 Ų39110.3 Ų110.340%0.40255%0.55SS..Hα-helixtrans-52.7-34174.700000112.8Y365 K366 D367G363-Y365 VanDerWaalsContact C-N 3.32Å; G363-Y365 PolarHBondContact O-N 3Å; G363-K366 PolarHBondContact O-N 3.09Å; G363-D367 VanDerWaalsContact O-CB 3.25Å; G363-D367 WeakPolarHBondContact O-CB 3.49Å; G363-D367 PolarHBondContact O-N 3.35Å
364L43.2Very low41.6Very low124 Ų124109.8 Ų109.865%0.64955%0.55SS*.Hα-helixtrans-61.4-35175.9-153.489.4000113.4S362 L368S362-L364 PolarHBondContact O-N 3.3Å; S362-L364 VanDerWaalsContact O-N 3.11Å; L364-L368 WeakPolarHBondContact O-CB 3.33Å; L364-L368 PolarHBondContact O-N 2.82Å; L364-L368 VanDerWaalsContact O-N 3.16Å
365Y45Very low42.3Very low99 Ų99105.9 Ų105.939%0.38854%0.536SS..Hα-helixtrans-74-41.7176.3178.7-100.9000111.5K360 S362 G363 L368 L369K360-Y365 HydrophobicContact CG-CE1 4.26Å; K360-Y365 WeakPolarHBondContact O-CD1 3.48Å; S362-Y365 WeakPolarHBondContact O-CB 3.41Å; S362-Y365 PolarHBondContact O-N 3.27Å; G363-Y365 VanDerWaalsContact C-N 3.32Å; G363-Y365 PolarHBondContact O-N 3Å; Y365-L368 PolarHBondContact O-N 3.44Å; Y365-L369 HydrophobicContact CD1-CD1 3.93Å; Y365-L369 HydrophobicContact CE1-CD1 3.39Å; Y365-L369 HydrophobicContact CE2-CD1 4.43Å; Y365-L369 PolarHBondContact O-N 2.93Å
366K45.8Very low43.2Very low129 Ų129104.8 Ų104.856%0.56153%0.53SS*.Hα-helixtrans-64.6-45.1176-68177.7-179.5170.10111.8S362 G363 L368 L369 H370S362-K366 PolarHBondContact O-N 3.25Å; G363-K366 PolarHBondContact O-N 3.09Å; K366-L368 PolarHBondContact O-N 3.45Å; K366-L369 WeakPolarHBondContact O-CB 3.33Å; K366-L369 PolarHBondContact O-N 2.89Å; K366-H370 WeakPolarHBondContact O-CB 3.32Å; K366-H370 PolarHBondContact O-N 3.44Å
367D44.6Very low43.6Very low67 Ų67103.2 Ų103.236%0.35853%0.525SS..Hα-helixtrans-65.6-36177.9179.649.8000112.2G363 H370 K371G363-D367 VanDerWaalsContact O-CB 3.25Å; G363-D367 WeakPolarHBondContact O-CB 3.49Å; G363-D367 PolarHBondContact O-N 3.35Å; D367-H370 PolarHBondContact O-N 3.24Å; D367-K371 WeakPolarHBondContact O-CB 3.4Å; D367-K371 WeakPolarHBondContact O-CG 3.44Å; D367-K371 PolarHBondContact O-N 3.08Å; D367-K371 VanDerWaalsContact OD1-CE 3.29Å; D367-K371 WeakPolarHBondContact OD1-CE 3.38Å; D367-K371 IonicContact OD1-NZ 2.68Å; D367-K371 PolarHBondContact OD1-NZ 2.92Å; D367-K371 IonicContact OD2-NZ 3.37Å; D367-K371 PolarHBondContact OD2-NZ 2.83Å
368L49.5Very low43.9Very low82 Ų82104.6 Ų104.643%0.42953%0.528SS..Hα-helixtrans-64.6-43.5171.8-154.191.4000111.8L364 Y365 K366 I372L364-L368 WeakPolarHBondContact O-CB 3.33Å; L364-L368 PolarHBondContact O-N 2.82Å; L364-L368 VanDerWaalsContact O-N 3.16Å; Y365-L368 PolarHBondContact O-N 3.44Å; K366-L368 PolarHBondContact O-N 3.45Å; L368-I372 HydrophobicContact CD2-CD1 4.34Å; L368-I372 HydrophobicContact CG-CD1 4.36Å; L368-I372 WeakPolarHBondContact O-CD1 3.5Å; L368-I372 VanDerWaalsContact O-CG1 3.23Å; L368-I372 WeakPolarHBondContact O-CG1 3.24Å; L368-I372 PolarHBondContact O-N 3.36Å
369L51.4Low44.3Very low87 Ų87106.8 Ų106.846%0.45554%0.536SS..Hα-helixtrans-62.8-42.7175.2-100.1159.4000112Y365 K366 I372 H373Y365-L369 HydrophobicContact CD1-CD1 3.93Å; Y365-L369 HydrophobicContact CE1-CD1 3.39Å; Y365-L369 HydrophobicContact CE2-CD1 4.43Å; Y365-L369 PolarHBondContact O-N 2.93Å; K366-L369 WeakPolarHBondContact O-CB 3.33Å; K366-L369 PolarHBondContact O-N 2.89Å; L369-I372 PolarHBondContact O-N 3.01Å; L369-H373 PolarHBondContact O-N 3.1Å
370H46.7Very low44.5Very low115 Ų115103.7 Ų103.753%0.53254%0.54SS..Hα-helixtrans-62.9-46.7178.2-173.4-122.8000111.6K366 D367 I372 H373 L374K366-H370 WeakPolarHBondContact O-CB 3.32Å; K366-H370 PolarHBondContact O-N 3.44Å; D367-H370 PolarHBondContact O-N 3.24Å; H370-I372 VanDerWaalsContact C-N 3.32Å; H370-I372 PolarHBondContact O-N 3.38Å; H370-H373 PolarHBondContact O-N 2.82Å; H370-H373 VanDerWaalsContact O-N 3.09Å; H370-L374 PolarHBondContact O-N 3.37Å
371K48.8Very low44.5Very low124 Ų124103.4 Ų103.454%0.53955%0.546SS..Hα-helixtrans-63.3-33.7175.1-77164176.1149.60113.2D367 G375D367-K371 WeakPolarHBondContact O-CB 3.4Å; D367-K371 WeakPolarHBondContact O-CG 3.44Å; D367-K371 PolarHBondContact O-N 3.08Å; D367-K371 VanDerWaalsContact OD1-CE 3.29Å; D367-K371 WeakPolarHBondContact OD1-CE 3.38Å; D367-K371 IonicContact OD1-NZ 2.68Å; D367-K371 PolarHBondContact OD1-NZ 2.92Å; D367-K371 IonicContact OD2-NZ 3.37Å; D367-K371 PolarHBondContact OD2-NZ 2.83Å; K371-G375 PolarHBondContact O-N 2.86Å
372I52.8Low44.4Very low71 Ų71109.8 Ų109.836%0.36456%0.562SS.*Hα-helixtrans-70.9-33.2172.9-70.1165000111.7L368 L369 H370L368-I372 HydrophobicContact CD2-CD1 4.34Å; L368-I372 HydrophobicContact CG-CD1 4.36Å; L368-I372 WeakPolarHBondContact O-CD1 3.5Å; L368-I372 VanDerWaalsContact O-CG1 3.23Å; L368-I372 WeakPolarHBondContact O-CG1 3.24Å; L368-I372 PolarHBondContact O-N 3.36Å; L369-I372 PolarHBondContact O-N 3.01Å; H370-I372 VanDerWaalsContact C-N 3.32Å; H370-I372 PolarHBondContact O-N 3.38Å
373H48.5Very low44Very low127 Ų127114.7 Ų114.759%0.58860%0.596SS**Hα-helixtrans-71.6-45.3178.2-142.993.1000111.8L369 H370 G375 R376L369-H373 PolarHBondContact O-N 3.1Å; H370-H373 PolarHBondContact O-N 2.82Å; H370-H373 VanDerWaalsContact O-N 3.09Å; H373-G375 PolarHBondContact O-N 2.95Å; H373-R376 WeakPolarHBondContact O-CB 3.44Å; H373-R376 PolarHBondContact O-N 2.92Å
374L45.2Very low43.4Very low97 Ų97116.1 Ų116.151%0.50861%0.611SS.*Hα-helixtrans-56.6-45.9175.5-80.2159.4000112.2H370 R376 M377H370-L374 PolarHBondContact O-N 3.37Å; L374-R376 PolarHBondContact O-N 3.39Å; L374-R376 VanDerWaalsContact O-N 3.08Å; L374-M377 PolarHBondContact O-N 3.37Å
375G42.4Very low43.1Very low47 Ų47115.3 Ų115.349%0.48562%0.622SS.*THydrogen-bonded Turntrans-63.1-14177.200000114.8K371 H373K371-G375 PolarHBondContact O-N 2.86Å; H373-G375 PolarHBondContact O-N 2.95Å
376R45.4Very low42.2Very low174 Ų174116.1 Ų116.166%0.65764%0.642SS**THydrogen-bonded Turntrans-93.9-11.2179.6-148179.7-162.7141.97113.8H373 L374H373-R376 WeakPolarHBondContact O-CB 3.44Å; H373-R376 PolarHBondContact O-N 2.92Å; L374-R376 PolarHBondContact O-N 3.39Å; L374-R376 VanDerWaalsContact O-N 3.08Å
377M39.4Very low41.7Very low142 Ų142119 Ų11970%0.766%0.657SS**THydrogen-bonded Turntrans-88.7-26.3179-62178.575.800111.9L374L374-M377 PolarHBondContact O-N 3.37Å
378D39.7Very low41.4Very low147 Ų147121.2 Ų121.279%0.78668%0.676SS**G310 helixtrans-80-23.1-178.5-135.628.3000113.2G380D378-G380 PolarHBondContact O-N 2.95Å
379D44.3Very low40.3Very low146 Ų146124.2 Ų124.278%0.78169%0.692SS**G310 helixtrans-73-3.9174.8-86.6-23.5000113.6
380G40.5Very low39.6Very low67 Ų67127.1 Ų127.169%0.69171%0.708SS**G310 helixtrans-75.2-22.6-171.600000115.8D378D378-G380 PolarHBondContact O-N 2.95Å
381D40.1Very low38.8Very low146 Ų146129.2 Ų129.278%0.78172%0.723SS**SBendtrans-151.571.1-168-156.712.1000114.2
382R32.7Very low37.9Very low245 Ų245133.7 Ų133.793%0.92574%0.738SS**  trans-167.5106.4154.8-106.6150.9-163.9-155.95.4114.5
383S36Very low37.1Very low134 Ų134142 Ų14294%0.93777%0.765SS**  trans-92.598.6162.450.20000110.7
384G30.2Very low36.4Very low69 Ų69143.9 Ų143.971%0.71178%0.778SS**SBendtrans166.9129.4175.300000113.2
385A36.9Very low36Very low107 Ų107145.8 Ų145.888%0.88479%0.788SS**  trans-82.6123.1-170.200000114.3
386S25.5Very low35.7Very low116 Ų116153.7 Ų153.781%0.81180%0.804SS**  trans-166135.3145.242.60000111.6
387Q36.1Very low35.4Very low189 Ų189154.8 Ų154.888%0.88381%0.808SS**  trans-66.9153.9158.6-84.9179-21.600109.1
388P37.9Very low35.2Very low114 Ų114154.2 Ų154.274%0.7481%0.807SS**  cis-128.9-170.938.347.5-33.6000112.9
389D25.6Very low35.5Very low145 Ų145152.8 Ų152.878%0.77580%0.8SS**  cis-147.4174.63.9-145.5-23.2000113
390N37.4Very low35.7Very low147 Ų147149.3 Ų149.379%0.78679%0.787SS**  trans-84.4109.9174.3-89.5-44.1000112.4
391N28.7Very low35.9Very low159 Ų159154.7 Ų154.785%0.8579%0.788SS**  trans-146.315.3152.5-127.1-13.9000116.3R393N391-R393 PolarHBondContact O-N 3.19Å
392Y31.5Very low36.2Very low218 Ų218150.6 Ų150.686%0.85577%0.768SS**SBendtrans-81103.2166.9-68.4-69.3000110.2L394Y392-L394 PolarHBondContact O-N 3.11Å
393R34.3Very low36.8Very low246 Ų246142.1 Ų142.193%0.92875%0.745SS**  trans-61.995.9-179.5-158.5177.6-166178.45110.2N391 L395N391-R393 PolarHBondContact O-N 3.19Å; R393-L395 PolarHBondContact O-N 3.38Å
394L34Very low37.2Very low167 Ų167143.6 Ų143.687%0.87473%0.732SS**  trans-35.7117.2-177.3-74.7141.2000113.1Y392 R396Y392-L394 PolarHBondContact O-N 3.11Å; L394-R396 PolarHBondContact O-N 2.96Å
395L38.2Very low37.9Very low137 Ų137143 Ų14372%0.71772%0.715SS**  trans-60.1107.6178-95.7118.6000110.6R393 R397 T402R393-L395 PolarHBondContact O-N 3.38Å; L395-R397 PolarHBondContact O-N 2.94Å; L395-T402 HydrophobicContact CD2-CG2 3.89Å
396R36.4Very low38.4Very low213 Ų213138.6 Ų138.680%0.80468%0.678SS**  trans-71.5119.3-177-164.7178.6-172.1-170.24109.9L394 N398L394-R396 PolarHBondContact O-N 2.96Å; R396-N398 VanDerWaalsContact C-N 3.32Å; R396-N398 PolarHBondContact O-N 2.78Å
397R38.4Very low39.3Very low197 Ų197136.4 Ų136.474%0.74367%0.667SS**SBendtrans-5983.9176.3-178.9-173.1168.3178.9-2.2111.7L395L395-R397 PolarHBondContact O-N 2.94Å
398N34.1Very low39.5Very low129 Ų129134.1 Ų134.169%0.6966%0.659SS**  trans-139.24.8-176.5-122.325.8000115.1R396R396-N398 VanDerWaalsContact C-N 3.32Å; R396-N398 PolarHBondContact O-N 2.78Å
399N46Very low39.7Very low117 Ų117131.3 Ų131.363%0.62664%0.641SS**  trans-138.6144.7168.1-113.6-13.5000111.5T402N399-T402 PolarHBondContact O-N 3.03Å
400S49.5Very low40Very low74 Ų74127.4 Ų127.452%0.51764%0.635SS.*Hα-helixtrans-63.1-42.2-175.746.50000112.6T402 C403 Y404S400-T402 PolarHBondContact O-N 3.26Å; S400-C403 WeakPolarHBondContact O-CB 3.39Å; S400-C403 PolarHBondContact O-N 3.45Å; S400-C403 VanDerWaalsContact O-N 3.13Å; S400-Y404 PolarHBondContact O-N 3.08Å
401Y44.3Very low40Very low180 Ų180125.1 Ų125.171%0.70662%0.621SS**Hα-helixtrans-60.8-39.1-179.5-73.2-84.8000113.4C403 Y404 T405Y401-C403 PolarHBondContact O-N 2.96Å; Y401-Y404 PolarHBondContact O-N 2.87Å; Y401-T405 PolarHBondContact O-N 2.86Å; Y401-T405 PolarHBondContact O-OG1 2.91Å; Y401-T405 VanDerWaalsContact O-OG1 3.13Å
402T46.6Very low40.2Very low60 Ų60123.9 Ų123.937%0.36862%0.622SS.*Hα-helixtrans-59.5-31.4177.4-37.60000112.1L395 N399 S400 A406L395-T402 HydrophobicContact CD2-CG2 3.89Å; N399-T402 PolarHBondContact O-N 3.03Å; S400-T402 PolarHBondContact O-N 3.26Å; T402-A406 VanDerWaalsContact O-CB 3.32Å; T402-A406 WeakPolarHBondContact O-CB 3.26Å; T402-A406 PolarHBondContact O-N 2.94Å
403C45.9Very low40.7Very low66 Ų66117.8 Ų117.845%0.44661%0.607SS.*Hα-helixtrans-75.4-36.9176.1-1640000112.5S400 Y401 A407S400-C403 WeakPolarHBondContact O-CB 3.39Å; S400-C403 PolarHBondContact O-N 3.45Å; S400-C403 VanDerWaalsContact O-N 3.13Å; Y401-C403 PolarHBondContact O-N 2.96Å; C403-A407 WeakPolarHBondContact O-CB 3.32Å; C403-A407 PolarHBondContact O-N 3.47Å; C403-A407 VanDerWaalsContact O-N 3.12Å
404Y44.3Very low40.5Very low166 Ų166114.4 Ų114.465%0.65160%0.602SS**Hα-helixtrans-66.9-47.2175.5-89.8-80.2000111.8S400 Y401 A406 A407 I408S400-Y404 PolarHBondContact O-N 3.08Å; Y401-Y404 PolarHBondContact O-N 2.87Å; Y404-A406 VanDerWaalsContact C-N 3.34Å; Y404-A406 PolarHBondContact O-N 3.33Å; Y404-A407 PolarHBondContact O-N 3.4Å; Y404-I408 WeakPolarHBondContact O-CG1 3.49Å; Y404-I408 PolarHBondContact O-N 3.5Å
405T45.5Very low40.2Very low57 Ų57112.2 Ų112.235%0.3560%0.597SS.*Hα-helixtrans-62.5-41.8178.1-43.10000111.3Y401 A407 I408 C409Y401-T405 PolarHBondContact O-N 2.86Å; Y401-T405 PolarHBondContact O-OG1 2.91Å; Y401-T405 VanDerWaalsContact O-OG1 3.13Å; T405-A407 VanDerWaalsContact C-N 3.34Å; T405-A407 PolarHBondContact O-N 2.99Å; T405-I408 PolarHBondContact O-N 2.87Å; T405-C409 WeakPolarHBondContact O-CB 3.43Å; T405-C409 PolarHBondContact O-N 2.67Å; T405-C409 PolarHBondContact O-SG 3.04Å; T405-C409 VanDerWaalsContact O-SG 3.33Å
406A47.1Very low39.9Very low14 Ų14111.1 Ų111.112%0.11660%0.596CS.*Hα-helixtrans-62.6-38.6176.800000113.3T402 Y404 G410 M411 V413T402-A406 VanDerWaalsContact O-CB 3.32Å; T402-A406 WeakPolarHBondContact O-CB 3.26Å; T402-A406 PolarHBondContact O-N 2.94Å; Y404-A406 VanDerWaalsContact C-N 3.34Å; Y404-A406 PolarHBondContact O-N 3.33Å; A406-G410 PolarHBondContact O-N 3.43Å; A406-M411 HydrophobicContact CB-CE 3.9Å; A406-M411 PolarHBondContact O-N 3.23Å; A406-M411 VanDerWaalsContact O-N 3.09Å; A406-V413 HydrophobicContact CB-CG2 4.31Å
407A43.3Very low39.4Very low69 Ų69112.1 Ų112.157%0.5760%0.6SS**Hα-helixtrans-68.3-41.8176.400000112.5C403 Y404 T405 C409 G410C403-A407 WeakPolarHBondContact O-CB 3.32Å; C403-A407 PolarHBondContact O-N 3.47Å; C403-A407 VanDerWaalsContact O-N 3.12Å; Y404-A407 PolarHBondContact O-N 3.4Å; T405-A407 VanDerWaalsContact C-N 3.34Å; T405-A407 PolarHBondContact O-N 2.99Å; A407-C409 VanDerWaalsContact C-N 3.35Å; A407-G410 PolarHBondContact O-N 3.36Å
408I40.9Very low38.7Very low142 Ų142113.7 Ų113.773%0.72861%0.606SS**Hα-helixtrans-66.2-37.8177.4-66.9165000111.1Y404 T405 G410Y404-I408 WeakPolarHBondContact O-CG1 3.49Å; Y404-I408 PolarHBondContact O-N 3.5Å; T405-I408 PolarHBondContact O-N 2.87Å; I408-G410 PolarHBondContact O-N 3.43Å
409C41.1Very low38.3Very low54 Ų54112.7 Ų112.737%0.36561%0.609SS.*THydrogen-bonded Turntrans-78.52177.2-64.40000114.4T405 A407 M411T405-C409 WeakPolarHBondContact O-CB 3.43Å; T405-C409 PolarHBondContact O-N 2.67Å; T405-C409 PolarHBondContact O-SG 3.04Å; T405-C409 VanDerWaalsContact O-SG 3.33Å; A407-C409 VanDerWaalsContact C-N 3.35Å; C409-M411 VanDerWaalsContact C-N 3.32Å; C409-M411 HydrophobicContact CB-CE 4.34Å; C409-M411 PolarHBondContact O-N 2.9Å
410G32.4Very low37.2Very low63 Ų63115.8 Ų115.865%0.64962%0.62SS**THydrogen-bonded Turntrans72.517.3175.800000115.4A406 A407 I408A406-G410 PolarHBondContact O-N 3.43Å; A407-G410 PolarHBondContact O-N 3.36Å; I408-G410 PolarHBondContact O-N 3.43Å
411M37.9Very low36Very low100 Ų100117.7 Ų117.749%0.49363%0.633SS.*  trans-77133.6-178.3-67.5-171.1-72.900111.4A406 C409 V413A406-M411 HydrophobicContact CB-CE 3.9Å; A406-M411 PolarHBondContact O-N 3.23Å; A406-M411 VanDerWaalsContact O-N 3.09Å; C409-M411 VanDerWaalsContact C-N 3.32Å; C409-M411 HydrophobicContact CB-CE 4.34Å; C409-M411 PolarHBondContact O-N 2.9Å; M411-V413 PolarHBondContact O-N 3.16Å
412P33.6Very low34.9Very low133 Ų133119.7 Ų119.786%0.86464%0.639SS**  trans-72.4102.7-177.928.3-34.1000111.7
413V41.2Very low33.9Very low90 Ų90122.8 Ų122.855%0.54565%0.654SS.*PPolyproline II helixtrans-81.4122172.9-174.60000109.4A406 M411A406-V413 HydrophobicContact CB-CG2 4.31Å; M411-V413 PolarHBondContact O-N 3.16Å
414Q30.6Very low32.8Very low175 Ų175126.5 Ų126.582%0.81867%0.669SS**PPolyproline II helixtrans-57.4131.5-178.8-81.6-172-10.200112.4
415P27.4Very low31.9Very low120 Ų120124 Ų12478%0.77968%0.676SS**PPolyproline II helixtrans-69.5132.3169.529.1-32.8000109.8R417P415-R417 PolarHBondContact O-N 3.29Å; P415-R417 VanDerWaalsContact O-N 3.12Å
416V31.6Very low31.1Very low114 Ų114129.5 Ų129.569%0.69170%0.698SS**  trans-65.3115173.8175.10000108.6R418V416-R418 PolarHBondContact O-N 3.2Å
417R25Very low30Very low235 Ų235138.2 Ų138.289%0.88773%0.733SS**  trans-57.9107.6172.7178.7174.1172.1159.1-3.5109.2P415 S419P415-R417 PolarHBondContact O-N 3.29Å; P415-R417 VanDerWaalsContact O-N 3.12Å; R417-S419 PolarHBondContact O-N 3.09Å
418R25.1Very low29.2Very low230 Ų230142.2 Ų142.287%0.86874%0.744SS**  trans-67.8113.6174-154.6176.5-166.9168.51.9107.6V416 E420V416-R418 PolarHBondContact O-N 3.2Å; R418-E420 PolarHBondContact O-N 3.12Å
419S24.7Very low28.4Very low107 Ų107141.9 Ų141.975%0.74875%0.748SS**  trans-83.1111.2173.2-167.30000108.5R417R417-S419 PolarHBondContact O-N 3.09Å
420E23.8Very low27.7Very low182 Ų182142.3 Ų142.385%0.8576%0.761SS**  trans-83.3123.8166.3-68-174.3146.200109.8R418R418-E420 PolarHBondContact O-N 3.12Å
421S23.2Very low27.3Very low115 Ų115149.2 Ų149.280%0.80478%0.777SS**  trans-158141.215455.70000109.2
422R22.5Very low26.6Very low222 Ų222148.3 Ų148.384%0.83879%0.794SS**  trans-89.9158.7-168-111175.2166.4159.6-5.2113.6
423D24.7Very low26.2Very low125 Ų125145.7 Ų145.767%0.66879%0.791SS**  trans66.5139.5143.6-54.9-22000122.7
424D23.3Very low25.7Very low143 Ų143146 Ų14677%0.76580%0.802SS**  trans76.6112145.7-66-13.2000124.7
425S25.2Very low25.6Very low113 Ų113149.4 Ų149.479%0.7981%0.808SS**  86.4150.7120.6-66.60000122.4
426E28.2Very low25.9Very low174 Ų174149.1 Ų149.181%0.81381%0.808SS**  trans-61141.2-177.6-45.5166.5125.700113.4
427K24.7Very low25.6Very low197 Ų197151.1 Ų151.186%0.85782%0.815SS**  177.6160.4110.6-100.8172.8-178.1173.30116.8
428L25.3Very low25.6Very low153 Ų153145.3 Ų145.380%0.80181%0.811SS**  trans-53.6152.5171.8-74.7154.2000116.7
429V24.9Very low25.5Very low134 Ų134140.6 Ų140.681%0.81281%0.807SS**  trans66.3115.11361750000119.5
430G26.2Very low25.5Very low63 Ų63140.8 Ų140.865%0.64981%0.809SS**  99.2148.8108.400000119.2
431E24Very low25.5Very low208 Ų208143.1 Ų143.197%0.97281%0.811SS**  trans62.8138.3173.4-52.8-168.912500116.4
432G24Very low25.5Very low82 Ų82143 Ų14385%0.84581%0.811SS**  cis174.8137-8.100000109.3
433G24.2Very low25.7Very low78 Ų78141.5 Ų141.580%0.80481%0.81SS**  trans153.184.7177.800000117
434A30.4Very low25.6Very low95 Ų95145.1 Ų145.179%0.78582%0.82SS**  trans44.8121.7150.500000121.9
435R29.1Very low25.7Very low248 Ų248148.2 Ų148.294%0.93682%0.821SS**SBendtrans83.3117.3155.6-64.5179169.9170.6-3.1118.7
436S33.7Very low25.8Very low113 Ų113150.4 Ų150.479%0.7982%0.821SS**  trans61.8108.8160.3-1740000117.3
437N24.4Very low26Very low156 Ų156152.9 Ų152.983%0.83482%0.822SS**  trans-164139.4139.7-98.1-29.1000111.8
438S25Very low26.4Very low114 Ų114152.1 Ų152.180%0.79782%0.815SS**  trans-83.6141.7170.848.20000110.5
439V24.6Very low26.7Very low131 Ų131151 Ų15179%0.79481%0.81SS**  trans-107.2118176.3178.30000109.1
440S24.1Very low27.4Very low111 Ų111149.7 Ų149.778%0.77681%0.807SS**  trans-106.4119.417944.80000111.2S442S440-S442 PolarHBondContact O-N 2.99Å
441Y23.2Very low27.8Very low231 Ų231155.5 Ų155.591%0.90681%0.811SS**  trans-77.5100.2174-94.7-87.8000110.8K443Y441-K443 PolarHBondContact O-N 3.12Å
442S24.6Very low28.4Very low113 Ų113147.5 Ų147.579%0.7978%0.777SS**  trans-78.5102.3171.2-178.30000110.8S440 K444S440-S442 PolarHBondContact O-N 2.99Å; S442-K444 PolarHBondContact O-N 3.34Å
443K25.2Very low29.3Very low190 Ų190147.8 Ų147.883%0.82677%0.766SS**  trans-69.695.9171-163.5179.3-176.6-173.30108.7Y441 R445Y441-K443 PolarHBondContact O-N 3.12Å; K443-R445 PolarHBondContact O-N 3.4Å
444K23.4Very low30.1Very low200 Ų200151.8 Ų151.887%0.8776%0.758SS**  trans-53100.4-175.3-164176.7-173.9179.50111.6S442 M446S442-K444 PolarHBondContact O-N 3.34Å; K444-M446 PolarHBondContact O-N 2.97Å
445R25Very low30.5Very low208 Ų208149.7 Ų149.779%0.78574%0.737SS**PPolyproline II helixtrans-59.7122.9170.4-88.8-168.9178.5-154.2-1.4109K443K443-R445 PolarHBondContact O-N 3.4Å
446M27.7Very low31.1Very low160 Ų160142.5 Ų142.579%0.78872%0.718SS**PPolyproline II helixtrans-65.1132.3167.8-166.1-166-64.700108.2K444K444-M446 PolarHBondContact O-N 2.97Å
447R31.6Very low31.7Very low226 Ų226139.7 Ų139.785%0.85370%0.701SS**PPolyproline II helixtrans-81.2132.4168.6-72.3-174.2176.694.90.8108
448Y33.6Very low32.5Very low180 Ų180135 Ų13571%0.70668%0.678SS**PPolyproline II helixtrans-93.2129.4160.2-102.9-79000108.5S452Y448-S452 VanDerWaalsContact CD1-CB 3.45Å; Y448-S452 WeakPolarHBondContact CD1-OG 3.3Å; Y448-S452 WeakPolarHBondContact CE1-OG 3.23Å
449D31.8Very low33.2Very low130 Ų130131.6 Ų131.670%0.69566%0.657SS**PPolyproline II helixtrans-75.3151.7176.7-75.5-34.8000111.3Y451 S452D449-Y451 PolarHBondContact O-N 3.45Å; D449-S452 PolarHBondContact O-N 3.41Å
450S39Very low34Very low106 Ų106131.4 Ų131.474%0.74165%0.648SS**Hα-helixtrans-51.2-26.7-169.5-44.60000115S453 Y454S450-S453 PolarHBondContact O-N 3.39Å; S450-Y454 PolarHBondContact O-N 3.16Å
451Y34.3Very low34.9Very low186 Ų186128.9 Ų128.973%0.72963%0.633SS**Hα-helixtrans-64-43.3178.7-168.6-106000112.5D449 S453 Y454 C455D449-Y451 PolarHBondContact O-N 3.45Å; Y451-S453 VanDerWaalsContact C-N 3.31Å; Y451-S453 PolarHBondContact O-N 3.4Å; Y451-Y454 PolarHBondContact O-N 3.45Å; Y451-C455 PolarHBondContact O-N 2.93Å; Y451-C455 PolarHBondContact O-SG 2.83Å; Y451-C455 VanDerWaalsContact O-SG 3.37Å
452S38.2Very low35.6Very low39 Ų39124.4 Ų124.427%0.27362%0.62SS.*Hα-helixtrans-69.6-30.6180-162.60000112.4Y448 D449 Y454 N456Y448-S452 VanDerWaalsContact CD1-CB 3.45Å; Y448-S452 WeakPolarHBondContact CD1-OG 3.3Å; Y448-S452 WeakPolarHBondContact CE1-OG 3.23Å; D449-S452 PolarHBondContact O-N 3.41Å; S452-Y454 VanDerWaalsContact C-N 3.31Å; S452-N456 PolarHBondContact O-N 2.9Å; S452-N456 VanDerWaalsContact O-N 3.12Å
453S41.5Very low36.2Very low88 Ų88124.1 Ų124.162%0.61561%0.609SS**Hα-helixtrans-67.2-34.6174.4-168.80000111.8S450 Y451 A457S450-S453 PolarHBondContact O-N 3.39Å; Y451-S453 VanDerWaalsContact C-N 3.31Å; Y451-S453 PolarHBondContact O-N 3.4Å; S453-A457 PolarHBondContact O-N 2.87Å
454Y41.4Very low36.9Very low162 Ų162122.7 Ų122.764%0.63561%0.605SS**Hα-helixtrans-72.8-44.8176.3-178.6-101.6000111.2S450 Y451 S452 N456 A457 V458S450-Y454 PolarHBondContact O-N 3.16Å; Y451-Y454 PolarHBondContact O-N 3.45Å; S452-Y454 VanDerWaalsContact C-N 3.31Å; Y454-N456 VanDerWaalsContact C-N 3.34Å; Y454-N456 PolarHBondContact O-N 3.23Å; Y454-A457 PolarHBondContact O-N 2.79Å; Y454-V458 HydrophobicContact CD1-CG2 4.22Å; Y454-V458 HydrophobicContact CD2-CG2 4.47Å; Y454-V458 HydrophobicContact CE1-CG2 3.83Å; Y454-V458 HydrophobicContact CE2-CG2 4.1Å; Y454-V458 WeakPolarHBondContact O-CG2 3.27Å; Y454-V458 PolarHBondContact O-N 2.79Å
455C38.4Very low37.8Very low51 Ų51117.1 Ų117.135%0.34560%0.596SS.*Hα-helixtrans-60.1-40.3177.8-67.20000112.9Y451 A459Y451-C455 PolarHBondContact O-N 2.93Å; Y451-C455 PolarHBondContact O-SG 2.83Å; Y451-C455 VanDerWaalsContact O-SG 3.37Å; C455-A459 WeakPolarHBondContact O-CB 3.04Å; C455-A459 PolarHBondContact O-N 2.89Å
456N43.1Very low38.4Very low98 Ų98115.8 Ų115.852%0.52460%0.599SS.*Hα-helixtrans-65.8-45.2175.1-79.818.2000112.3S452 Y454 V458 A459 E460S452-N456 PolarHBondContact O-N 2.9Å; S452-N456 VanDerWaalsContact O-N 3.12Å; Y454-N456 VanDerWaalsContact C-N 3.34Å; Y454-N456 PolarHBondContact O-N 3.23Å; N456-V458 VanDerWaalsContact C-N 3.29Å; N456-V458 PolarHBondContact O-N 2.67Å; N456-A459 PolarHBondContact O-N 3.42Å; N456-E460 WeakPolarHBondContact O-CG 3.3Å; N456-E460 PolarHBondContact O-N 2.86Å
457A45.9Very low38.8Very low54 Ų54115.8 Ų115.845%0.44660%0.597SS.*Hα-helixtrans-64.4-32.4179.400000113S453 Y454 A461S453-A457 PolarHBondContact O-N 2.87Å; Y454-A457 PolarHBondContact O-N 2.79Å; A457-A461 WeakPolarHBondContact O-CB 3.48Å; A457-A461 PolarHBondContact O-N 2.62Å
458V41.7Very low39Very low57 Ų57109.3 Ų109.335%0.34560%0.6SS.*Hα-helixtrans-72.2-40.9173.2173.60000111.2Y454 N456 A461 E462Y454-V458 HydrophobicContact CD1-CG2 4.22Å; Y454-V458 HydrophobicContact CD2-CG2 4.47Å; Y454-V458 HydrophobicContact CE1-CG2 3.83Å; Y454-V458 HydrophobicContact CE2-CG2 4.1Å; Y454-V458 WeakPolarHBondContact O-CG2 3.27Å; Y454-V458 PolarHBondContact O-N 2.79Å; N456-V458 VanDerWaalsContact C-N 3.29Å; N456-V458 PolarHBondContact O-N 2.67Å; V458-A461 PolarHBondContact O-N 3.07Å; V458-E462 PolarHBondContact O-N 3.49Å
459A38.1Very low38.8Very low43 Ų43103.7 Ų103.736%0.35560%0.598SS.*Hα-helixtrans-65.9-39.317700000112.6C455 N456 E462 I463C455-A459 WeakPolarHBondContact O-CB 3.04Å; C455-A459 PolarHBondContact O-N 2.89Å; N456-A459 PolarHBondContact O-N 3.42Å; A459-E462 PolarHBondContact O-N 3.25Å; A459-I463 VanDerWaalsContact O-CG1 3.32Å; A459-I463 WeakPolarHBondContact O-CG1 3.45Å; A459-I463 PolarHBondContact O-N 2.96Å; A459-I463 VanDerWaalsContact O-N 3.08Å
460E42.2Very low38.7Very low127 Ų127104.7 Ų104.759%0.59361%0.608SS**Hα-helixtrans-62-43.1173.4-74.2173.6165.300111.1N456 E462 I463 E464N456-E460 WeakPolarHBondContact O-CG 3.3Å; N456-E460 PolarHBondContact O-N 2.86Å; E460-E462 VanDerWaalsContact C-N 3.34Å; E460-E462 PolarHBondContact O-N 3.1Å; E460-I463 PolarHBondContact O-N 3.47Å; E460-E464 PolarHBondContact O-N 2.93Å
461A43.6Very low38.1Very low57 Ų57106.5 Ų106.547%0.47161%0.605SS.*Hα-helixtrans-67.8-26.6176.600000114.3A457 V458 A465A457-A461 WeakPolarHBondContact O-CB 3.48Å; A457-A461 PolarHBondContact O-N 2.62Å; V458-A461 PolarHBondContact O-N 3.07Å; A461-A465 PolarHBondContact O-N 3.49Å
462E36.7Very low37.9Very low137 Ų137105 Ų10564%0.6461%0.608SS**Hα-helixtrans-75.9-35171.6-77.4-175.4140.100112.1V458 A459 E460 A465 E466V458-E462 PolarHBondContact O-N 3.49Å; A459-E462 PolarHBondContact O-N 3.25Å; E460-E462 VanDerWaalsContact C-N 3.34Å; E460-E462 PolarHBondContact O-N 3.1Å; E462-A465 WeakPolarHBondContact O-CB 3.47Å; E462-A465 PolarHBondContact O-N 3.47Å; E462-E466 PolarHBondContact O-N 3.22Å
463I37Very low37.3Very low108 Ų108112.8 Ų112.855%0.55464%0.637SS**Hα-helixtrans-68.3-43175.2-67.1164.4000110.9A459 E460 A465 E466 E467A459-I463 VanDerWaalsContact O-CG1 3.32Å; A459-I463 WeakPolarHBondContact O-CG1 3.45Å; A459-I463 PolarHBondContact O-N 2.96Å; A459-I463 VanDerWaalsContact O-N 3.08Å; E460-I463 PolarHBondContact O-N 3.47Å; I463-A465 PolarHBondContact O-N 2.85Å; I463-E466 PolarHBondContact O-N 3.06Å; I463-E467 PolarHBondContact O-N 2.89Å
464E41.1Very low36.5Very low160 Ų160114.7 Ų114.775%0.74864%0.64SS**Hα-helixtrans-62.6-18.8172.3-72.4-172.2155.400113.4E460E460-E464 PolarHBondContact O-N 2.93Å
465A42Very low35.8Very low82 Ų82111.5 Ų111.568%0.67865%0.647SS**Hα-helixtrans-88.6-19.2176.800000114A461 E462 I463A461-A465 PolarHBondContact O-N 3.49Å; E462-A465 WeakPolarHBondContact O-CB 3.47Å; E462-A465 PolarHBondContact O-N 3.47Å; I463-A465 PolarHBondContact O-N 2.85Å
466E38.2Very low35.1Very low181 Ų181114.8 Ų114.885%0.84667%0.666SS**Hα-helixtrans-88.8-40175-95.6-165.7149.300112.9E462 I463 G468E462-E466 PolarHBondContact O-N 3.22Å; I463-E466 PolarHBondContact O-N 3.06Å; E466-G468 PolarHBondContact O-N 2.64Å
467E34.5Very low34.3Very low160 Ų160118.4 Ų118.475%0.74868%0.679SS**SBendtrans-86.692.1174.6-69.9-162.6142.400111.2I463 G469I463-E467 PolarHBondContact O-N 2.89Å; E467-G469 VanDerWaalsContact C-N 3.29Å; E467-G469 PolarHBondContact O-N 2.97Å
468G37.7Very low33.3Very low89 Ų89122.5 Ų122.592%0.91869%0.693SS**  trans-65.869.9-174.400000116.4E466E466-G468 PolarHBondContact O-N 2.64Å
469G28.3Very low32.6Very low63 Ų63127.6 Ų127.665%0.64971%0.713SS**  trans-136.786.3178.400000112.8E467 E471E467-G469 VanDerWaalsContact C-N 3.29Å; E467-G469 PolarHBondContact O-N 2.97Å; G469-E471 PolarHBondContact O-N 3.44Å; G469-E471 VanDerWaalsContact O-N 3.11Å
470V29.6Very low32Very low150 Ų150128.7 Ų128.791%0.90973%0.729SS**  trans-75.698.3169.1-177.10000109.1
471E26Very low31.3Very low145 Ų145129.4 Ų129.468%0.67874%0.741SS**  trans-108.4102.7167.7-165.4160.2-115.400109.2G469 K473G469-E471 PolarHBondContact O-N 3.44Å; G469-E471 VanDerWaalsContact O-N 3.11Å; E471-K473 PolarHBondContact O-N 3.34Å; E471-K473 VanDerWaalsContact O-N 3.12Å
472L30.2Very low30.5Very low154 Ų154135.6 Ų135.681%0.80676%0.761SS**  trans-73.6101-177.8-170.481.9000109.8L474L472-L474 PolarHBondContact O-N 3.48Å; L472-L474 VanDerWaalsContact O-N 3.16Å
473K25.5Very low30Very low202 Ų202138.5 Ų138.588%0.87877%0.774SS**  trans-69.7107.9171.2-105.5179.7176.1176.30110.3E471E471-K473 PolarHBondContact O-N 3.34Å; E471-K473 VanDerWaalsContact O-N 3.12Å
474L24.9Very low29.5Very low129 Ų129143 Ų14368%0.67579%0.793SS**PPolyproline II helixtrans-74.4122.2169.3-160.878.3000108.6L472L472-L474 PolarHBondContact O-N 3.48Å; L472-L474 VanDerWaalsContact O-N 3.16Å
475A26.6Very low28.8Very low94 Ų94139 Ų13978%0.77779%0.794SS**PPolyproline II helixtrans-87124.1169.300000109.1
476T24.5Very low28Very low121 Ų121140 Ų14074%0.74280%0.803SS**PPolyproline II helixtrans-83.8128175.2-43.90000109
477E25.5Very low27.7Very low173 Ų173137.4 Ų137.481%0.80880%0.802SS**PPolyproline II helixtrans-102.4131.9168.6-75.9-172.3148.300110.9
478L25.8Very low27.5Very low141 Ų141134.3 Ų134.374%0.73880%0.803SS**  trans-119.5151167.5-64.9166.9000105.5
479E27.5Very low27.1Very low163 Ų163136 Ų13676%0.76280%0.798SS**  cis-144-179.710-121.2133.1-138.100107.6
480G24Very low27.3Very low67 Ų67139.6 Ų139.669%0.69181%0.807SS**  cis94.97625.600000111.6
481V27.4Very low27.6Very low141 Ų141137.5 Ų137.586%0.85580%0.797SS**  trans-138.1121.7168.7-178.10000109.6
482E26.8Very low27.6Very low188 Ų188138.2 Ų138.288%0.87980%0.804SS**  trans-96.8142.7173.5-60.3177.8142.200110.4
483E27.1Very low27.8Very low198 Ų198138.3 Ų138.393%0.92581%0.806SS**  trans-139.2126.2155.7-87.6-162.7144.700109.5
484E27.2Very low28Very low203 Ų203136.5 Ų136.595%0.94981%0.805SS**  trans-93.5140.4173.5-68-166.7130.700111.3
485G25.8Very low28.4Very low75 Ų75138.2 Ų138.277%0.77382%0.815SS**  trans-1730.3-179.100000124.8
486A24.5Very low28.5Very low103 Ų103139.7 Ų139.785%0.85181%0.813SS**  trans57.1168.8168.600000120
487P31.6Very low28.7Very low127 Ų127142.3 Ų142.383%0.82582%0.817SS**  cis-115.1172.5-43.237.5-24.8000112.9
488A31.6Very low28.9Very low95 Ų95141.4 Ų141.479%0.78581%0.813SS**  trans-64.7157.4-170.800000116.8
489P28.4Very low29Very low124 Ų124143.7 Ų143.781%0.80582%0.82SS**  -134.9156.2107.838.1-29000115.8
490V33.7Very low29.1Very low138 Ų138143.7 Ų143.784%0.83682%0.82SS**  trans-66139.4-178.3-179.50000112.3
491P35.4Very low29.7Very low107 Ų107149.1 Ų149.170%0.69583%0.827SS**  -149.4144.4115.834.1-15.7000117.8
492L26.3Very low30.3Very low159 Ų159149.1 Ų149.183%0.83282%0.818SS**  trans61.4131.6150.2-8481.1000121.7
493D34.4Very low31.3Very low157 Ų157148.5 Ų148.584%0.8481%0.812SS**  trans-58.7132.8160.7-54.1-74.5000111.6
494D28.1Very low32.7Very low163 Ų163141.3 Ų141.387%0.87278%0.78SS**  trans-150.3138.3142.6-108.6-34000109.7V496D494-V496 PolarHBondContact O-N 3.04Å
495L35Very low34.5Very low166 Ų166137.4 Ų137.487%0.86976%0.76SS**  trans-80.4102.4-169-69.1161.2000111.3
496V28.1Very low36.3Very low124 Ų124136.3 Ų136.375%0.75274%0.74SS**  trans-104.993.8155-175.80000107.4D494 E498D494-V496 PolarHBondContact O-N 3.04Å; V496-E498 VanDerWaalsContact C-N 3.34Å; V496-E498 HydrophobicContact CG1-CG 4.27Å; V496-E498 PolarHBondContact O-N 2.87Å
497E28.7Very low38.3Very low176 Ų176134.2 Ų134.282%0.82271%0.713SS**  trans-65.699.1159.5-69.6-175.3150.600106.9E499E497-E499 PolarHBondContact O-N 3.3Å; E497-E499 VanDerWaalsContact O-N 3.09Å
498E30.4Very low40.1Very low154 Ų154128.7 Ų128.772%0.7268%0.677SS**  trans-64.3110.5164.6-69.3-160159.300107.7V496 H500V496-E498 VanDerWaalsContact C-N 3.34Å; V496-E498 HydrophobicContact CG1-CG 4.27Å; V496-E498 PolarHBondContact O-N 2.87Å; E498-H500 PolarHBondContact O-N 2.96Å
499E28.1Very low41.9Very low189 Ų189128.2 Ų128.288%0.88366%0.657SS**  trans-63.784.4167.5-77.3-166.313600108.9E497 E501E497-E499 PolarHBondContact O-N 3.3Å; E497-E499 VanDerWaalsContact O-N 3.09Å; E499-E501 PolarHBondContact O-N 3.4Å
500H28.9Very low43.8Very low164 Ų164124.1 Ų124.176%0.75963%0.629SS**  trans-55.7110.8158.2-90.9-70.3000107.7E498 E502E498-H500 PolarHBondContact O-N 2.96Å; H500-E502 PolarHBondContact O-N 3.41Å
501E37.1Very low45.7Very low181 Ų181117.9 Ų117.985%0.84659%0.591SS**  trans-58.991.8164.9-76.2-169.714200108.7E499 K503E499-E501 PolarHBondContact O-N 3.4Å; E501-K503 VanDerWaalsContact C-N 3.32Å; E501-K503 PolarHBondContact O-N 2.97Å
502E39.9Very low47.6Very low141 Ų141113.8 Ų113.866%0.65956%0.562SS**  trans-57.197.1165.8-77.6-174.2134.800108.5H500 D504 R595H500-E502 PolarHBondContact O-N 3.41Å; E502-D504 PolarHBondContact O-N 3.1Å; E502-R595 IonicContact OE2-NH2 3.78Å; E502-R595 PolarHBondContact OE2-NH2 3.26Å
503K47.5Very low50.1Low174 Ų174109 Ų10976%0.75754%0.535SS*.  trans-57.4104.4166.6-83.8177176.1166.20108.2E501 K505E501-K503 VanDerWaalsContact C-N 3.32Å; E501-K503 PolarHBondContact O-N 2.97Å; K503-K505 PolarHBondContact O-N 3.3Å
504D55.9Low52Low47 Ų47104.4 Ų104.425%0.25151%0.508SS..  trans-51.9131.1-179.1-69.7-46.1000110.1E502 S506 T592 S594 R595E502-D504 PolarHBondContact O-N 3.1Å; D504-S506 PolarHBondContact O-N 3.12Å; D504-T592 PolarHBondContact OD2-OG1 3.31Å; D504-S594 VanDerWaalsContact CG-OG 3.22Å; D504-S594 WeakPolarHBondContact OD2-CB 3.42Å; D504-S594 PolarHBondContact OD2-OG 3.47Å; D504-R595 IonicContact OD1-CZ 3.52Å; D504-R595 IonicContact OD1-NE 3.88Å; D504-R595 PolarHBondContact OD1-NE 3.23Å; D504-R595 IonicContact OD1-NH2 3.9Å; D504-R595 PolarHBondContact OD1-NH2 3.4Å; D504-R595 IonicContact OD2-NE 2.96Å
505K65.2Low54.4Low121 Ų12197.6 Ų97.653%0.52647%0.471SS..  trans-52.3132.6-179-61.7176.5-178.1176.10109.8D173 K503 E507 V508 F509D173-K505 PolarHBondContact O-NZ 3.05Å; K503-K505 PolarHBondContact O-N 3.3Å; K505-E507 PolarHBondContact O-N 3.18Å; K505-V508 HydrophobicContact CB-CG2 4.15Å; K505-V508 WeakPolarHBondContact O-CA 3.39Å; K505-V508 WeakPolarHBondContact O-CB 3.42Å; K505-V508 PolarHBondContact O-N 3.46Å; K505-F509 PolarHBondContact O-N 2.98Å
506S63.6Low56.7Low52 Ų5290.7 Ų90.736%0.36444%0.435SS..Hα-helixtrans-46.5-35-179.3176.50000113.5E250 D504 L510E250-S506 PolarHBondContact OE1-OG 3.26Å; E250-S506 PolarHBondContact OE2-OG 3.18Å; D504-S506 PolarHBondContact O-N 3.12Å; S506-L510 PolarHBondContact O-N 3.03Å
507E66.7Low59.4Low59 Ų5986.9 Ų86.928%0.27641%0.41SS..Hα-helixtrans-66.9-36.9177.8-43-178.7132.300114V176 I243 L247 K505 L511V176-E507 HydrophobicContact CG2-CB 3.32Å; V176-E507 HydrophobicContact CG2-CG 4.19Å; V176-E507 WeakPolarHBondContact CG2-OE2 3.33Å; I243-E507 HydrophobicContact CG2-CB 4.35Å; L247-E507 HydrophobicContact CD1-CG 4.02Å; L247-E507 WeakPolarHBondContact CD1-OE1 3.38Å; L247-E507 HydrophobicContact CD2-CG 3.86Å; L247-E507 HydrophobicContact CG-CG 4.3Å; K505-E507 PolarHBondContact O-N 3.18Å; E507-L511 PolarHBondContact O-N 3.44Å
508V68.2Low62Low11 Ų1180 Ų807%0.06738%0.378CS..Hα-helixtrans-70-49177.3176.70000109L170 S175 K505 L510 L511 F512L170-V508 HydrophobicContact CD2-CG1 4.12Å; S175-V508 WeakPolarHBondContact OG-CG2 3.37Å; K505-V508 HydrophobicContact CB-CG2 4.15Å; K505-V508 WeakPolarHBondContact O-CA 3.39Å; K505-V508 WeakPolarHBondContact O-CB 3.42Å; K505-V508 PolarHBondContact O-N 3.46Å; V508-L510 VanDerWaalsContact C-N 3.28Å; V508-L510 PolarHBondContact O-N 3.22Å; V508-L511 WeakPolarHBondContact O-CB 3.48Å; V508-L511 PolarHBondContact O-N 3.17Å; V508-L511 VanDerWaalsContact O-N 3.13Å; V508-F512 HydrophobicContact CG1-CD2 3.63Å; V508-F512 HydrophobicContact CG1-CE2 3.74Å; V508-F512 WeakPolarHBondContact O-CD2 3.34Å; V508-F512 PolarHBondContact O-N 2.8Å
509F71Confident64.5Low85 Ų8576 Ų7637%0.37337%0.365SS..Hα-helixtrans-50.3-48.3173.9-178.8-81.5000111.5K505 L511 F512 H513 P593K505-F509 PolarHBondContact O-N 2.98Å; F509-L511 PolarHBondContact O-N 3.2Å; F509-F512 PolarHBondContact O-N 3.09Å; F509-H513 WeakPolarHBondContact O-CB 3.01Å; F509-H513 PolarHBondContact O-N 3.12Å; F509-P593 HydrophobicContact CD2-CB 4.44Å; F509-P593 HydrophobicContact CD2-CG 3.63Å; F509-P593 HydrophobicContact CE1-CG 4.42Å; F509-P593 VanDerWaalsContact CE2-CD 3.4Å; F509-P593 HydrophobicContact CE2-CG 3.36Å; F509-P593 HydrophobicContact CG-CG 4.28Å; F509-P593 HydrophobicContact CZ-CG 3.79Å
510L68.6Low67.3Low39 Ų3967.2 Ų67.220%0.20432%0.324CS..Hα-helixtrans-72.9-25-176.8-157.9137.8000114.1I243 R246 S506 V508I243-L510 HydrophobicContact CG1-CD2 3.6Å; R246-L510 HydrophobicContact CB-CD1 4.44Å; R246-L510 HydrophobicContact CG-CD1 3.92Å; S506-L510 PolarHBondContact O-N 3.03Å; V508-L510 VanDerWaalsContact C-N 3.28Å; V508-L510 PolarHBondContact O-N 3.22Å
511L73.3Confident70.2Confident7 Ų759.9 Ų59.94%0.03729%0.291CS..Hα-helixtrans-70.2-53.4170.7179.980.2000110.8L180 L183 M239 E507 V508 F509 F514 L515L180-L511 HydrophobicContact CD2-CD1 3.85Å; L180-L511 HydrophobicContact CG-CD1 4.17Å; L183-L511 HydrophobicContact CD1-CD1 3.79Å; L183-L511 HydrophobicContact CD2-CD1 4.44Å; L183-L511 HydrophobicContact CG-CD1 4.15Å; M239-L511 HydrophobicContact CE-CD1 3.97Å; E507-L511 PolarHBondContact O-N 3.44Å; V508-L511 WeakPolarHBondContact O-CB 3.48Å; V508-L511 PolarHBondContact O-N 3.17Å; V508-L511 VanDerWaalsContact O-N 3.13Å; F509-L511 PolarHBondContact O-N 3.2Å; L511-F514 PolarHBondContact O-N 3.15Å; L511-L515 PolarHBondContact O-N 3.41Å
512F75.3Confident72.6Confident20 Ų2052.5 Ų52.59%0.08826%0.256CS..Hα-helixtrans-69.6-32.7-176.6-79.4-80.4000112.6I165 I169 L170 V508 F509 F514 L515 Q516 P593I165-F512 HydrophobicContact CG2-CE1 4.11Å; I165-F512 HydrophobicContact CG2-CZ 3.83Å; I169-F512 HydrophobicContact CG2-CE2 4.47Å; I169-F512 HydrophobicContact CG2-CZ 4.37Å; L170-F512 HydrophobicContact CD2-CE2 3.94Å; L170-F512 HydrophobicContact CD2-CZ 4.27Å; V508-F512 HydrophobicContact CG1-CD2 3.63Å; V508-F512 HydrophobicContact CG1-CE2 3.74Å; V508-F512 WeakPolarHBondContact O-CD2 3.34Å; V508-F512 PolarHBondContact O-N 2.8Å; F509-F512 PolarHBondContact O-N 3.09Å; F512-F514 VanDerWaalsContact C-N 3.27Å; F512-F514 PolarHBondContact O-N 3.28Å; F512-L515 HydrophobicContact CD1-CD2 4.22Å; F512-L515 HydrophobicContact CE1-CD2 4.34Å; F512-L515 PolarHBondContact O-N 3.39Å; F512-Q516 WeakPolarHBondContact O-CB 3.48Å; F512-Q516 PolarHBondContact O-N 3.2Å; F512-P593 HydrophobicContact CB-CB 4.36Å; F512-P593 VanDerWaalsContact CB-O 3.3Å; F512-P593 WeakPolarHBondContact CB-O 3.42Å
513H78.6Confident74.8Confident59 Ų5946.9 Ų46.927%0.27324%0.236SC..Hα-helixtrans-46.9-47.7169.3176.9111.1000112.1V41 F509 I517V41-H513 HydrophobicContact CG1-CB 4.35Å; V41-H513 VanDerWaalsContact CG1-O 3.25Å; V41-H513 WeakPolarHBondContact CG1-O 3.37Å; V41-H513 HydrophobicContact CG2-CB 4.16Å; V41-H513 PolarHBondContact O-CE1 2.87Å; V41-H513 VanDerWaalsContact O-CE1 3.26Å; F509-H513 WeakPolarHBondContact O-CB 3.01Å; F509-H513 PolarHBondContact O-N 3.12Å; H513-I517 WeakPolarHBondContact O-CG1 3.49Å; H513-I517 PolarHBondContact O-N 3.24Å
514F74.2Confident76.9Confident61 Ų6138.6 Ų38.627%0.26820%0.2SC..Hα-helixtrans-73.3-32.8179.8-174.4-114.6000113.2Y187 V235 M239 L511 F512Y187-F514 HydrophobicContact CE1-CE1 4.46Å; Y187-F514 HydrophobicContact CE2-CE1 4.46Å; Y187-F514 AromaticContact CZ-CE1 3.73Å; Y187-F514 WeakPolarHBondContact OH-CD1 3.48Å; Y187-F514 WeakPolarHBondContact OH-CE1 3.47Å; Y187-F514 WeakPolarHBondContact OH-CZ 3.41Å; V235-F514 HydrophobicContact CG1-CE1 3.77Å; V235-F514 HydrophobicContact CG1-CZ 4.36Å; M239-F514 HydrophobicContact CE-CB 3.81Å; M239-F514 HydrophobicContact CE-CD1 3.75Å; M239-F514 HydrophobicContact CE-CG 4.09Å; M239-F514 HydrophobicContact SD-CD1 3.47Å; M239-F514 WeakPolarHBondContact SD-CD1 3.37Å; M239-F514 HydrophobicContact SD-CE1 3.89Å; M239-F514 HydrophobicContact SD-CG 4.27Å; L511-F514 PolarHBondContact O-N 3.15Å; F512-F514 VanDerWaalsContact C-N 3.27Å; F512-F514 PolarHBondContact O-N 3.28Å
515L78Confident78.5Confident20 Ų2037 Ų3711%0.10519%0.191CC..Hα-helixtrans-68.7-39.2176.2-170.962.4000111.3L183 F186 Y187 L511 F512 L518 T519L183-L515 HydrophobicContact CD2-CD1 4.17Å; F186-L515 HydrophobicContact CB-CD1 4.23Å; F186-L515 HydrophobicContact CD2-CD2 4.29Å; Y187-L515 HydrophobicContact CE2-CD1 4.1Å; L511-L515 PolarHBondContact O-N 3.41Å; F512-L515 HydrophobicContact CD1-CD2 4.22Å; F512-L515 HydrophobicContact CE1-CD2 4.34Å; F512-L515 PolarHBondContact O-N 3.39Å; L515-L518 WeakPolarHBondContact O-CB 3.35Å; L515-L518 PolarHBondContact O-N 2.86Å; L515-T519 PolarHBondContact O-N 3.37Å; L515-T519 PolarHBondContact O-OG1 3.1Å
516Q83.5Confident79.6Confident21 Ų2133.7 Ų33.710%0.09819%0.186CC..Hα-helixtrans-68.3-36-179-167.217417.700113.1T35 A36 S39 F512 L518 T519 A520T35-Q516 VanDerWaalsContact C-NE2 3.27Å; T35-Q516 PolarHBondContact O-NE2 3.22Å; T35-Q516 VanDerWaalsContact O-NE2 3.13Å; A36-Q516 HydrophobicContact CB-CG 4.11Å; S39-Q516 PolarHBondContact OG-NE2 2.93Å; S39-Q516 PolarHBondContact OG-OE1 2.85Å; F512-Q516 WeakPolarHBondContact O-CB 3.48Å; F512-Q516 PolarHBondContact O-N 3.2Å; Q516-L518 VanDerWaalsContact C-N 3.29Å; Q516-L518 PolarHBondContact O-N 3.47Å; Q516-T519 WeakPolarHBondContact CA-OG1 3.34Å; Q516-T519 PolarHBondContact O-OG1 3.4Å; Q516-A520 VanDerWaalsContact O-CB 3.26Å; Q516-A520 WeakPolarHBondContact O-CB 3.48Å; Q516-A520 PolarHBondContact O-N 2.95Å
517I85Confident80.7Confident44 Ų4433.9 Ų33.923%0.22618%0.181CC..Hα-helixtrans-59.1-45.3171.7-63.8172.7000110.2V41 V42 L50 H513 C521V41-I517 HydrophobicContact CG1-CD1 3.95Å; V41-I517 HydrophobicContact CG1-CG1 3.5Å; V41-I517 VanDerWaalsContact CG1-CG1 3.5Å; V42-I517 HydrophobicContact CG2-CD1 4.37Å; V42-I517 HydrophobicContact CG2-CG1 3.69Å; L50-I517 HydrophobicContact CD1-CG2 4.23Å; H513-I517 WeakPolarHBondContact O-CG1 3.49Å; H513-I517 PolarHBondContact O-N 3.24Å; I517-C521 PolarHBondContact O-N 3.36Å; I517-C521 PolarHBondContact O-SG 2.84Å
518L82Confident81.9Confident31 Ų3131.1 Ų31.116%0.16217%0.168CC..Hα-helixtrans-67.2-47.6-178.1-173.688000111.9Y187 L515 Q516 A520 C521 F522Y187-L518 HydrophobicContact CD1-CD1 4.24Å; Y187-L518 HydrophobicContact CD1-CD2 3.83Å; Y187-L518 HydrophobicContact CD2-CD2 3.73Å; Y187-L518 HydrophobicContact CE1-CD1 3.49Å; Y187-L518 VanDerWaalsContact CE1-CD1 3.49Å; Y187-L518 HydrophobicContact CE1-CD2 3.53Å; Y187-L518 HydrophobicContact CE1-CG 4.04Å; Y187-L518 HydrophobicContact CE2-CD2 3.42Å; Y187-L518 VanDerWaalsContact CE2-CD2 3.42Å; Y187-L518 HydrophobicContact CE2-CG 4.44Å; Y187-L518 HydrophobicContact CG-CD2 3.91Å; L515-L518 WeakPolarHBondContact O-CB 3.35Å; L515-L518 PolarHBondContact O-N 2.86Å; Q516-L518 VanDerWaalsContact C-N 3.29Å; Q516-L518 PolarHBondContact O-N 3.47Å; L518-A520 VanDerWaalsContact C-N 3.3Å; L518-A520 PolarHBondContact O-N 3.03Å; L518-C521 WeakPolarHBondContact O-CB 3.3Å; L518-C521 PolarHBondContact O-N 2.98Å; L518-F522 HydrophobicContact CD1-CD2 4.36Å; L518-F522 HydrophobicContact CD1-CE2 3.63Å; L518-F522 HydrophobicContact CD1-CZ 3.91Å; L518-F522 HydrophobicContact CD2-CD2 4.01Å; L518-F522 HydrophobicContact CD2-CE2 3.48Å; L518-F522 VanDerWaalsContact CD2-CE2 3.48Å; L518-F522 HydrophobicContact CD2-CZ 4.48Å; L518-F522 HydrophobicContact CG-CD2 3.73Å; L518-F522 HydrophobicContact CG-CE2 3.36Å; L518-F522 HydrophobicContact CG-CZ 4.15Å; L518-F522 WeakPolarHBondContact O-CD2 3.17Å; L518-F522 PolarHBondContact O-N 3.18Å
519T83.8Confident82.8Confident71 Ų7130.6 Ų30.644%0.43617%0.165SC..Hα-helixtrans-64.4-36.2179.453.70000111.4L515 Q516 F522 G523L515-T519 PolarHBondContact O-N 3.37Å; L515-T519 PolarHBondContact O-OG1 3.1Å; Q516-T519 WeakPolarHBondContact CA-OG1 3.34Å; Q516-T519 PolarHBondContact O-OG1 3.4Å; T519-F522 PolarHBondContact O-N 3.03Å; T519-G523 PolarHBondContact O-N 3.33Å
520A87.6Confident83.7Confident4 Ų429.2 Ų29.23%0.03316%0.162CC..Hα-helixtrans-62.4-43.4171.500000112.6S32 F33 A36 Q516 L518 F522 G523 S524S32-A520 WeakPolarHBondContact O-CA 3.16Å; S32-A520 VanDerWaalsContact O-CB 3.26Å; S32-A520 WeakPolarHBondContact O-CB 3.27Å; F33-A520 HydrophobicContact CD1-CB 3.74Å; F33-A520 HydrophobicContact CE1-CB 3.66Å; F33-A520 HydrophobicContact CG-CB 4.26Å; F33-A520 HydrophobicContact CZ-CB 4.12Å; A36-A520 HydrophobicContact CB-CB 4.04Å; Q516-A520 VanDerWaalsContact O-CB 3.26Å; Q516-A520 WeakPolarHBondContact O-CB 3.48Å; Q516-A520 PolarHBondContact O-N 2.95Å; L518-A520 VanDerWaalsContact C-N 3.3Å; L518-A520 PolarHBondContact O-N 3.03Å; A520-F522 PolarHBondContact O-N 3.24Å; A520-G523 PolarHBondContact O-N 3.42Å; A520-S524 VanDerWaalsContact O-CB 3.29Å; A520-S524 WeakPolarHBondContact O-CB 3.48Å; A520-S524 PolarHBondContact O-N 3.05Å
521C89.6Confident84.8Confident9 Ų927.4 Ų27.46%0.06115%0.152CC..Hα-helixtrans-62-41.7175.3-67.60000112.5F54 I517 L518 F525F54-C521 WeakPolarHBondContact CB-O 3.48Å; F54-C521 HydrophobicContact CD1-CB 4.38Å; F54-C521 HydrophobicContact CD2-CB 3.59Å; F54-C521 HydrophobicContact CE1-CB 4.31Å; F54-C521 HydrophobicContact CE2-CB 3.51Å; F54-C521 VanDerWaalsContact CE2-SG 3.54Å; F54-C521 HydrophobicContact CG-CB 4.05Å; F54-C521 WeakPolarHBondContact CG-O 3.34Å; F54-C521 HydrophobicContact CZ-CB 3.89Å; I517-C521 PolarHBondContact O-N 3.36Å; I517-C521 PolarHBondContact O-SG 2.84Å; L518-C521 WeakPolarHBondContact O-CB 3.3Å; L518-C521 PolarHBondContact O-N 2.98Å; C521-F525 PolarHBondContact O-N 2.9Å
522F86.2Confident85.7Confident26 Ų2627 Ų2711%0.11415%0.15CC..Hα-helixtrans-75.1-33.5177.6-68.4-43.5000113.6T190 I191 N194 L518 T519 A520 F525 A526T190-F522 HydrophobicContact CG2-CB 3.91Å; T190-F522 HydrophobicContact CG2-CD2 3.24Å; T190-F522 HydrophobicContact CG2-CE2 3.78Å; T190-F522 HydrophobicContact CG2-CG 3.71Å; I191-F522 HydrophobicContact CD1-CE1 3.77Å; I191-F522 HydrophobicContact CD1-CE2 4.49Å; I191-F522 HydrophobicContact CD1-CZ 3.43Å; I191-F522 VanDerWaalsContact CD1-CZ 3.43Å; I191-F522 HydrophobicContact CG1-CZ 3.87Å; N194-F522 VanDerWaalsContact ND2-CD1 3.33Å; N194-F522 WeakPolarHBondContact ND2-CD1 3.29Å; L518-F522 HydrophobicContact CD1-CD2 4.36Å; L518-F522 HydrophobicContact CD1-CE2 3.63Å; L518-F522 HydrophobicContact CD1-CZ 3.91Å; L518-F522 HydrophobicContact CD2-CD2 4.01Å; L518-F522 HydrophobicContact CD2-CE2 3.48Å; L518-F522 VanDerWaalsContact CD2-CE2 3.48Å; L518-F522 HydrophobicContact CD2-CZ 4.48Å; L518-F522 HydrophobicContact CG-CD2 3.73Å; L518-F522 HydrophobicContact CG-CE2 3.36Å; L518-F522 HydrophobicContact CG-CZ 4.15Å; L518-F522 WeakPolarHBondContact O-CD2 3.17Å; L518-F522 PolarHBondContact O-N 3.18Å; T519-F522 PolarHBondContact O-N 3.03Å; A520-F522 PolarHBondContact O-N 3.24Å; F522-F525 PolarHBondContact O-N 3.13Å; F522-A526 PolarHBondContact O-N 3.4Å
523G87.6Confident86.3Confident24 Ų2426.1 Ų26.125%0.24715%0.147CC..Hα-helixtrans-58.4-50169.300000110.5T519 A520 F525 A526 H527T519-G523 PolarHBondContact O-N 3.33Å; A520-G523 PolarHBondContact O-N 3.42Å; G523-F525 VanDerWaalsContact C-N 3.33Å; G523-F525 PolarHBondContact O-N 3.19Å; G523-A526 PolarHBondContact O-N 3.5Å; G523-A526 VanDerWaalsContact O-N 3.13Å; G523-H527 WeakPolarHBondContact O-CB 3.3Å; G523-H527 PolarHBondContact O-CD2 2.78Å; G523-H527 PolarHBondContact O-N 3.33Å
524S90.2Very high86.9Confident0 Ų023.4 Ų23.40%013%0.134CC..Hα-helixtrans-60.7-39.3177179.90000112.2S32 A51 E55 A520 H527 G528S32-S524 WeakPolarHBondContact OG-CA 3.3Å; S32-S524 PolarHBondContact OG-N 3.33Å; S32-S524 VanDerWaalsContact OG-N 3.09Å; A51-S524 WeakPolarHBondContact CA-OG 3.24Å; E55-S524 VanDerWaalsContact CG-O 3.3Å; E55-S524 WeakPolarHBondContact CG-O 3.34Å; E55-S524 WeakPolarHBondContact CG-OG 3.32Å; E55-S524 PolarHBondContact OE1-OG 2.92Å; A520-S524 VanDerWaalsContact O-CB 3.29Å; A520-S524 WeakPolarHBondContact O-CB 3.48Å; A520-S524 PolarHBondContact O-N 3.05Å; S524-H527 PolarHBondContact O-N 2.98Å; S524-G528 PolarHBondContact O-N 3.23Å
525F90.4Very high87.7Confident14 Ų1420.5 Ų20.56%0.06112%0.121CC..Hα-helixtrans-61.2-45172.2179.5-97.6000113.3F54 L57 G58 L61 L62 I198 C521 F522 G523F54-F525 HydrophobicContact CB-CB 4.29Å; F54-F525 HydrophobicContact CD1-CB 4.23Å; F54-F525 WeakPolarHBondContact O-CA 3.25Å; L57-F525 HydrophobicContact CB-CD2 4.02Å; L57-F525 HydrophobicContact CB-CE2 3.97Å; G58-F525 VanDerWaalsContact CA-CE2 3.46Å; G58-F525 WeakPolarHBondContact CA-O 3.47Å; L61-F525 HydrophobicContact CB-CE2 4.45Å; L61-F525 HydrophobicContact CB-CZ 4.15Å; L61-F525 HydrophobicContact CD1-CE2 4.03Å; L61-F525 HydrophobicContact CD1-CZ 4.06Å; L62-F525 HydrophobicContact CD1-CD1 4.21Å; L62-F525 HydrophobicContact CD1-CE1 3.61Å; L62-F525 HydrophobicContact CD1-CZ 4.19Å; L62-F525 HydrophobicContact CG-CE1 4.14Å; L62-F525 HydrophobicContact CG-CZ 4.25Å; I198-F525 HydrophobicContact CD1-CE1 3.91Å; I198-F525 HydrophobicContact CD1-CZ 3.6Å; I198-F525 HydrophobicContact CG1-CE1 4.16Å; I198-F525 HydrophobicContact CG1-CZ 3.94Å; C521-F525 PolarHBondContact O-N 2.9Å; F522-F525 PolarHBondContact O-N 3.13Å; G523-F525 VanDerWaalsContact C-N 3.33Å; G523-F525 PolarHBondContact O-N 3.19Å
526A87.5Confident88.4Confident50 Ų5019.6 Ų19.641%0.41312%0.117SC..Hα-helixtrans-68-41.1177.400000111.8F522 G523 G529F522-A526 PolarHBondContact O-N 3.4Å; G523-A526 PolarHBondContact O-N 3.5Å; G523-A526 VanDerWaalsContact O-N 3.13Å; A526-G529 PolarHBondContact O-N 2.98Å
527H88.3Confident88.7Confident57 Ų5718.8 Ų18.826%0.26411%0.114SC..Hα-helixtrans-59.6-51.6175.9-94.5-79.3000111.9S32 G523 S524 G529 N530 D531S32-H527 PolarHBondContact OG-CD2 2.9Å; S32-H527 VanDerWaalsContact OG-CD2 3.25Å; G523-H527 WeakPolarHBondContact O-CB 3.3Å; G523-H527 PolarHBondContact O-CD2 2.78Å; G523-H527 PolarHBondContact O-N 3.33Å; S524-H527 PolarHBondContact O-N 2.98Å; H527-G529 PolarHBondContact O-N 3.21Å; H527-N530 WeakPolarHBondContact O-CA 3.42Å; H527-N530 WeakPolarHBondContact O-CB 3.43Å; H527-N530 PolarHBondContact O-N 3.26Å; H527-D531 WeakPolarHBondContact CB-OD2 3.42Å; H527-D531 IonicContact CG-OD2 2.64Å; H527-D531 IonicContact ND1-OD1 2.89Å; H527-D531 IonicContact ND1-OD2 2.57Å; H527-D531 VanDerWaalsContact O-CB 3.25Å; H527-D531 WeakPolarHBondContact O-CB 3.36Å; H527-D531 PolarHBondContact O-N 3.45Å
528G90.4Very high89.1Confident0 Ų016.8 Ų16.80%010%0.103CC..Hα-helixtrans-53.6-31.9-177.900000115S59 S524 V532S59-G528 WeakPolarHBondContact CA-O 3.38Å; S524-G528 PolarHBondContact O-N 3.23Å; G528-V532 WeakPolarHBondContact O-CB 3.45Å; G528-V532 WeakPolarHBondContact O-CG1 3.29Å; G528-V532 PolarHBondContact O-N 3.13Å
529G88.4Confident89.7Confident1 Ų115.3 Ų15.31%0.0110%0.096CC..Hα-helixtrans-69.5-43.1173.100000113.9G58 G63 A526 H527 S533G58-G529 WeakPolarHBondContact O-CA 3.43Å; G63-G529 WeakPolarHBondContact CA-O 3.16Å; A526-G529 PolarHBondContact O-N 2.98Å; H527-G529 PolarHBondContact O-N 3.21Å; G529-S533 PolarHBondContact O-N 2.95Å; G529-S533 PolarHBondContact O-OG 3.3Å
530N89.1Confident90.1Very high55 Ų5512 Ų1229%0.2948%0.076SC..Hα-helixtrans-67.6-42.7173.9-178.867.7000111.5H527 S533 N534H527-N530 WeakPolarHBondContact O-CA 3.42Å; H527-N530 WeakPolarHBondContact O-CB 3.43Å; H527-N530 PolarHBondContact O-N 3.26Å; N530-S533 WeakPolarHBondContact O-CA 3.25Å; N530-S533 VanDerWaalsContact O-CB 3.27Å; N530-S533 WeakPolarHBondContact O-CB 3.35Å; N530-S533 PolarHBondContact O-N 3.2Å; N530-S533 VanDerWaalsContact O-N 3.08Å; N530-N534 PolarHBondContact ND2-ND2 3Å; N530-N534 PolarHBondContact O-N 3.19Å; N530-N534 PolarHBondContact O-ND2 3.26Å
531D90.8Very high90.3Very high1 Ų111.9 Ų11.91%0.0057%0.074CC..Hα-helixtrans-74.5-39.8-168.3-66.1-3.2000111.1V24 H527 S533 N534 A535 I569V24-D531 HydrophobicContact CG1-CB 3.54Å; H527-D531 WeakPolarHBondContact CB-OD2 3.42Å; H527-D531 IonicContact CG-OD2 2.64Å; H527-D531 IonicContact ND1-OD1 2.89Å; H527-D531 IonicContact ND1-OD2 2.57Å; H527-D531 VanDerWaalsContact O-CB 3.25Å; H527-D531 WeakPolarHBondContact O-CB 3.36Å; H527-D531 PolarHBondContact O-N 3.45Å; D531-S533 PolarHBondContact O-N 2.92Å; D531-N534 PolarHBondContact O-N 3.49Å; D531-A535 PolarHBondContact O-N 3.36Å; D531-I569 HydrophobicContact CB-CD1 4.17Å
532V92.3Very high90.5Very high0 Ų011.4 Ų11.40%07%0.071CC..Hα-helixtrans-62.8-34.8168.576.70000111.7S59 G528 A535 I536 L562 I569S59-V532 WeakPolarHBondContact OG-CB 3.39Å; S59-V532 WeakPolarHBondContact OG-CG1 3.41Å; S59-V532 WeakPolarHBondContact OG-CG2 3.26Å; G528-V532 WeakPolarHBondContact O-CB 3.45Å; G528-V532 WeakPolarHBondContact O-CG1 3.29Å; G528-V532 PolarHBondContact O-N 3.13Å; V532-A535 PolarHBondContact O-N 3.15Å; V532-I536 HydrophobicContact CG2-CB 3.99Å; V532-I536 HydrophobicContact CG2-CG1 3.58Å; V532-I536 WeakPolarHBondContact O-CA 3.32Å; V532-I536 VanDerWaalsContact O-CB 3.25Å; V532-I536 WeakPolarHBondContact O-CB 3.19Å; V532-I536 PolarHBondContact O-N 3.33Å; V532-L562 HydrophobicContact CG1-CD2 4.03Å; V532-L562 HydrophobicContact CG2-CD2 4.28Å; V532-I569 HydrophobicContact CB-CD1 4.1Å
533S89.6Confident90.7Very high1 Ų112.9 Ų12.91%0.0078%0.076CC..Hα-helixtrans-68-40.4-178-59.90000111.3G63 V66 G67 I70 G529 N530 D531 A535 G537G63-S533 PolarHBondContact O-OG 2.99Å; V66-S533 WeakPolarHBondContact CB-OG 3.27Å; G67-S533 PolarHBondContact N-OG 3.4Å; G67-S533 VanDerWaalsContact N-OG 3.17Å; I70-S533 VanDerWaalsContact CD1-C 3.45Å; I70-S533 VanDerWaalsContact CD1-O 3.26Å; I70-S533 WeakPolarHBondContact CD1-O 3.4Å; G529-S533 PolarHBondContact O-N 2.95Å; G529-S533 PolarHBondContact O-OG 3.3Å; N530-S533 WeakPolarHBondContact O-CA 3.25Å; N530-S533 VanDerWaalsContact O-CB 3.27Å; N530-S533 WeakPolarHBondContact O-CB 3.35Å; N530-S533 PolarHBondContact O-N 3.2Å; N530-S533 VanDerWaalsContact O-N 3.08Å; D531-S533 PolarHBondContact O-N 2.92Å; S533-A535 VanDerWaalsContact C-N 3.26Å; S533-A535 PolarHBondContact O-N 3.41Å; S533-G537 WeakPolarHBondContact O-CA 3.34Å; S533-G537 PolarHBondContact O-N 3.37Å
534N90.2Very high90.8Very high1 Ų111.9 Ų11.91%0.0057%0.065CC..Hα-helixtrans-60-35.2173.9-64.3-38.9000112.6T115 I118 N530 D531T115-N534 VanDerWaalsContact CA-OD1 3.32Å; T115-N534 WeakPolarHBondContact CA-OD1 3Å; T115-N534 WeakPolarHBondContact CB-OD1 3.4Å; T115-N534 VanDerWaalsContact OG1-CG 3.27Å; T115-N534 PolarHBondContact OG1-ND2 2.95Å; T115-N534 PolarHBondContact OG1-OD1 3Å; I118-N534 HydrophobicContact CG2-CB 4.37Å; N530-N534 PolarHBondContact ND2-ND2 3Å; N530-N534 PolarHBondContact O-N 3.19Å; N530-N534 PolarHBondContact O-ND2 3.26Å; D531-N534 PolarHBondContact O-N 3.49Å
535A90.5Very high90.8Very high0 Ų011.9 Ų11.90%07%0.065CC..Hα-helixtrans-91.1-37.8-176.600000114.8L20 A21 V24 D531 V532 S533L20-A535 HydrophobicContact CB-CB 4.44Å; L20-A535 HydrophobicContact CD2-CB 4.44Å; L20-A535 HydrophobicContact CG-CB 3.99Å; A21-A535 HydrophobicContact CB-CB 3.81Å; V24-A535 HydrophobicContact CG2-CB 4.44Å; D531-A535 PolarHBondContact O-N 3.36Å; V532-A535 PolarHBondContact O-N 3.15Å; S533-A535 VanDerWaalsContact C-N 3.26Å; S533-A535 PolarHBondContact O-N 3.41Å
536I92.7Very high90.8Very high2 Ų213.7 Ų13.71%0.017%0.072CC..Hα-helixtrans-110.1-16.3-168.4-58.1-54000112.6A17 V532 L539 V540 L561 Y564A17-I536 HydrophobicContact CB-CD1 4.01Å; V532-I536 HydrophobicContact CG2-CB 3.99Å; V532-I536 HydrophobicContact CG2-CG1 3.58Å; V532-I536 WeakPolarHBondContact O-CA 3.32Å; V532-I536 VanDerWaalsContact O-CB 3.25Å; V532-I536 WeakPolarHBondContact O-CB 3.19Å; V532-I536 PolarHBondContact O-N 3.33Å; I536-L539 HydrophobicContact CD1-CD2 4.01Å; I536-L539 HydrophobicContact CG2-CB 4.39Å; I536-L539 HydrophobicContact CG2-CD2 4.37Å; I536-L539 CarbonylContact O-C 3.45Å; I536-L539 WeakPolarHBondContact O-CA 3.45Å; I536-L539 WeakPolarHBondContact O-CB 3.44Å; I536-L539 PolarHBondContact O-N 3.06Å; I536-V540 HydrophobicContact CG2-CG2 3.65Å; I536-V540 WeakPolarHBondContact O-CG2 3.45Å; I536-V540 PolarHBondContact O-N 3.39Å; I536-L561 HydrophobicContact CG2-CB 4.07Å; I536-Y564 HydrophobicContact CD1-CD1 4.17Å
537G91.3Very high90.8Very high4 Ų417.1 Ų17.14%0.0418%0.079CC..Hα-helixtrans-50.1-51.1175.100000113.6S533 V540 A541S533-G537 WeakPolarHBondContact O-CA 3.34Å; S533-G537 PolarHBondContact O-N 3.37Å; G537-V540 PolarHBondContact O-N 2.95Å; G537-A541 WeakPolarHBondContact O-CB 3.39Å; G537-A541 PolarHBondContact O-N 2.99Å
538P93.1Very high90.6Very high1 Ų118.8 Ų18.81%0.0069%0.087CC..Hα-helixtrans-66.1-31.3173.8-21.132.7000114.1I70 E91 M95 I118 A541 L542I70-P538 HydrophobicContact CG2-CG 4.37Å; E91-P538 HydrophobicContact CB-CB 4.42Å; E91-P538 WeakPolarHBondContact OE2-CA 3.47Å; E91-P538 WeakPolarHBondContact OE2-CB 3.46Å; M95-P538 HydrophobicContact CE-CB 4.44Å; M95-P538 HydrophobicContact CG-CB 3.55Å; M95-P538 HydrophobicContact CG-CG 4.01Å; M95-P538 HydrophobicContact SD-CB 3.89Å; I118-P538 HydrophobicContact CD1-CG 3.71Å; I118-P538 HydrophobicContact CG1-CG 3.87Å; P538-A541 VanDerWaalsContact O-CB 3.32Å; P538-A541 WeakPolarHBondContact O-CB 3.37Å; P538-A541 PolarHBondContact O-N 3.31Å; P538-L542 WeakPolarHBondContact O-CB 3.1Å; P538-L542 PolarHBondContact O-N 3.09Å
539L94.4Very high90.1Very high0 Ų020.4 Ų20.40%010%0.104CC..Hα-helixtrans-67.6-41.4174.6179.667.1000111.3F14 A17 M95 I536 A541 L542 W543 L561 Y564F14-L539 HydrophobicContact CD1-CD1 4.13Å; F14-L539 HydrophobicContact CD1-CD2 3.75Å; F14-L539 HydrophobicContact CD1-CG 4.47Å; F14-L539 HydrophobicContact CD2-CD1 4.09Å; F14-L539 HydrophobicContact CE1-CD1 4.28Å; F14-L539 HydrophobicContact CE1-CD2 3.75Å; F14-L539 HydrophobicContact CE1-CG 4.34Å; F14-L539 HydrophobicContact CE2-CD1 4.22Å; F14-L539 HydrophobicContact CG-CD1 4Å; F14-L539 HydrophobicContact CG-CD2 4.42Å; F14-L539 HydrophobicContact CZ-CD1 4.29Å; F14-L539 HydrophobicContact CZ-CD2 4.41Å; A17-L539 HydrophobicContact CB-CB 3.87Å; A17-L539 HydrophobicContact CB-CD1 4.19Å; A17-L539 HydrophobicContact CB-CD2 3.71Å; A17-L539 HydrophobicContact CB-CG 4.13Å; M95-L539 HydrophobicContact SD-CB 4.09Å; I536-L539 HydrophobicContact CD1-CD2 4.01Å; I536-L539 HydrophobicContact CG2-CB 4.39Å; I536-L539 HydrophobicContact CG2-CD2 4.37Å; I536-L539 CarbonylContact O-C 3.45Å; I536-L539 WeakPolarHBondContact O-CA 3.45Å; I536-L539 WeakPolarHBondContact O-CB 3.44Å; I536-L539 PolarHBondContact O-N 3.06Å; L539-A541 VanDerWaalsContact C-N 3.31Å; L539-L542 PolarHBondContact O-N 3.31Å; L539-W543 VanDerWaalsContact O-CB 3.3Å; L539-W543 WeakPolarHBondContact O-CB 3.24Å; L539-W543 PolarHBondContact O-N 2.82Å; L539-L561 HydrophobicContact CD2-CD2 3.98Å; L539-L561 HydrophobicContact CG-CD2 4.42Å; L539-Y564 HydrophobicContact CD2-CD1 4.1Å; L539-Y564 HydrophobicContact CD2-CE1 4.05Å
540V92.3Very high89.7Confident3 Ų321.7 Ų21.72%0.01812%0.117CC..Hα-helixtrans-66.6-35.9175.1171.70000110.5I536 G537 M544 T557 L561I536-V540 HydrophobicContact CG2-CG2 3.65Å; I536-V540 WeakPolarHBondContact O-CG2 3.45Å; I536-V540 PolarHBondContact O-N 3.39Å; G537-V540 PolarHBondContact O-N 2.95Å; V540-M544 HydrophobicContact CG1-CE 3.93Å; V540-M544 WeakPolarHBondContact O-CG 3.48Å; V540-M544 PolarHBondContact O-N 3Å; V540-M544 VanDerWaalsContact O-N 3.1Å; V540-T557 HydrophobicContact CB-CG2 4.44Å; V540-T557 HydrophobicContact CG1-CG2 3.87Å; V540-T557 HydrophobicContact CG2-CG2 3.72Å; V540-L561 HydrophobicContact CB-CD1 4.46Å; V540-L561 HydrophobicContact CG2-CB 4.01Å; V540-L561 HydrophobicContact CG2-CD1 3.69Å; V540-L561 HydrophobicContact CG2-CG 4.46Å
541A91.6Very high89.3Confident0 Ų019.2 Ų19.20%010%0.104CC..Hα-helixtrans-58.7-54.5170.900000111.3R71 E91 G537 P538 L539 M544 I545 Q553R71-A541 HydrophobicContact CB-CB 4.27Å; R71-A541 HydrophobicContact CG-CB 3.62Å; E91-A541 HydrophobicContact CG-CB 3.94Å; G537-A541 WeakPolarHBondContact O-CB 3.39Å; G537-A541 PolarHBondContact O-N 2.99Å; P538-A541 VanDerWaalsContact O-CB 3.32Å; P538-A541 WeakPolarHBondContact O-CB 3.37Å; P538-A541 PolarHBondContact O-N 3.31Å; L539-A541 VanDerWaalsContact C-N 3.31Å; A541-M544 PolarHBondContact O-N 3.19Å; A541-I545 WeakPolarHBondContact O-CD1 3.39Å; A541-I545 VanDerWaalsContact O-CG1 3.24Å; A541-I545 WeakPolarHBondContact O-CG1 3.45Å; A541-I545 PolarHBondContact O-N 3.42Å; A541-I545 VanDerWaalsContact O-N 3.11Å; A541-Q553 PolarHBondContact O-NE2 3.45Å
542L92.8Very high88.7Confident0 Ų022.3 Ų22.30%012%0.119CC..Hα-helixtrans-60.4-44.9178.5179.464.7000112.9V10 M88 E91 V92 M95 P538 L539 Y546V10-L542 HydrophobicContact CG2-CG 4.39Å; M88-L542 HydrophobicContact CB-CD1 3.62Å; M88-L542 HydrophobicContact CE-CD1 3.68Å; M88-L542 HydrophobicContact CG-CD1 3.9Å; E91-L542 HydrophobicContact CB-CB 4.23Å; V92-L542 HydrophobicContact CG2-CD1 4.31Å; V92-L542 HydrophobicContact CG2-CD2 3.62Å; M95-L542 HydrophobicContact CE-CD2 4.11Å; P538-L542 WeakPolarHBondContact O-CB 3.1Å; P538-L542 PolarHBondContact O-N 3.09Å; L539-L542 PolarHBondContact O-N 3.31Å; L542-Y546 WeakPolarHBondContact O-CB 3.25Å; L542-Y546 PolarHBondContact O-N 2.94Å; L542-Y546 VanDerWaalsContact O-N 3.08Å
543W92.1Very high87.9Confident56 Ų5622.3 Ų22.321%0.21212%0.119CC..Hα-helixtrans-61.5-47.7178.6176.5-91000111.8V10 F14 L539 Y546 E547 W560 L561V10-W543 HydrophobicContact CG1-CE3 4.03Å; V10-W543 HydrophobicContact CG1-CZ3 4.34Å; F14-W543 AromaticContact CE2-CE3 3.71Å; F14-W543 HydrophobicContact CE2-CE3 3.71Å; F14-W543 HydrophobicContact CE2-CZ3 4.03Å; F14-W543 AromaticContact CZ-CE3 3.78Å; F14-W543 HydrophobicContact CZ-CE3 3.78Å; F14-W543 HydrophobicContact CZ-CZ3 4.2Å; L539-W543 VanDerWaalsContact O-CB 3.3Å; L539-W543 WeakPolarHBondContact O-CB 3.24Å; L539-W543 PolarHBondContact O-N 2.82Å; W543-Y546 WeakPolarHBondContact O-CB 3.37Å; W543-Y546 PolarHBondContact O-N 3.43Å; W543-E547 PolarHBondContact NE1-OE2 2.9Å; W543-E547 WeakPolarHBondContact O-CB 3.34Å; W543-E547 PolarHBondContact O-N 2.84Å; W543-W560 HydrophobicContact CD2-CZ2 4.35Å; W543-W560 HydrophobicContact CH2-CZ2 4.32Å; W543-W560 HydrophobicContact CZ2-CZ2 4.09Å; W543-L561 HydrophobicContact CB-CD1 4.23Å; W543-L561 HydrophobicContact CG-CD1 4.11Å
544M89.1Confident87Confident3 Ų328 Ų282%0.01515%0.15CC..Hα-helixtrans-68.9-36.4-179.3-71.7-164-168.100113.1R71 V540 A541 Y546 E547 Q548 Q553 A555 A556 P558R71-M544 PolarHBondContact NH1-SD 3.09Å; V540-M544 HydrophobicContact CG1-CE 3.93Å; V540-M544 WeakPolarHBondContact O-CG 3.48Å; V540-M544 PolarHBondContact O-N 3Å; V540-M544 VanDerWaalsContact O-N 3.1Å; A541-M544 PolarHBondContact O-N 3.19Å; M544-Y546 VanDerWaalsContact C-N 3.27Å; M544-Y546 PolarHBondContact O-N 3.03Å; M544-E547 PolarHBondContact O-N 2.69Å; M544-Q548 VanDerWaalsContact O-CB 3.3Å; M544-Q548 WeakPolarHBondContact O-CB 3.4Å; M544-Q548 WeakPolarHBondContact O-CG 3.23Å; M544-Q548 PolarHBondContact O-N 3.42Å; M544-Q553 HydrophobicContact CB-CG 4.46Å; M544-A555 HydrophobicContact CE-CB 4.05Å; M544-A555 VanDerWaalsContact CE-O 3.27Å; M544-A555 WeakPolarHBondContact CE-O 3.26Å; M544-A555 HydrophobicContact SD-CB 3.76Å; M544-A556 WeakPolarHBondContact CE-O 3.25Å; M544-P558 HydrophobicContact CE-CG 4.48Å
545I89.9Confident86.1Confident0 Ų029.8 Ų29.80%017%0.165CC..Hα-helixtrans-60.1-42.2173.2-67.2161.6000110.3V84 L87 M88 A541 G549 Q553V84-I545 HydrophobicContact CG1-CG2 3.27Å; L87-I545 HydrophobicContact CD2-CD1 3.58Å; L87-I545 HydrophobicContact CD2-CG1 4.47Å; L87-I545 HydrophobicContact CG-CD1 3.75Å; M88-I545 HydrophobicContact CG-CB 4.24Å; M88-I545 HydrophobicContact CG-CG2 3.55Å; M88-I545 HydrophobicContact SD-CG2 3.91Å; A541-I545 WeakPolarHBondContact O-CD1 3.39Å; A541-I545 VanDerWaalsContact O-CG1 3.24Å; A541-I545 WeakPolarHBondContact O-CG1 3.45Å; A541-I545 PolarHBondContact O-N 3.42Å; A541-I545 VanDerWaalsContact O-N 3.11Å; I545-G549 VanDerWaalsContact O-CA 3.29Å; I545-G549 WeakPolarHBondContact O-CA 3.12Å; I545-G549 PolarHBondContact O-N 3.2Å; I545-Q553 HydrophobicContact CG1-CG 4.25Å
546Y89.6Confident85.4Confident53 Ų5332.5 Ų32.521%0.20819%0.187CC..Hα-helixtrans-66.5-47.8177.3179.7-97.7000112.9L3 L7 V10 M88 L542 W543 M544L3-Y546 HydrophobicContact CB-CD2 4.25Å; L3-Y546 HydrophobicContact CB-CE2 4.26Å; L3-Y546 WeakPolarHBondContact O-CE2 3.32Å; L7-Y546 HydrophobicContact CB-CE2 4.11Å; L7-Y546 HydrophobicContact CD1-CE1 4.37Å; L7-Y546 HydrophobicContact CD1-CE2 4.39Å; V10-Y546 HydrophobicContact CG2-CD1 4.25Å; V10-Y546 HydrophobicContact CG2-CD2 3.64Å; V10-Y546 HydrophobicContact CG2-CE2 4.32Å; V10-Y546 HydrophobicContact CG2-CG 3.61Å; M88-Y546 HydrophobicContact CE-CD2 4.16Å; L542-Y546 WeakPolarHBondContact O-CB 3.25Å; L542-Y546 PolarHBondContact O-N 2.94Å; L542-Y546 VanDerWaalsContact O-N 3.08Å; W543-Y546 WeakPolarHBondContact O-CB 3.37Å; W543-Y546 PolarHBondContact O-N 3.43Å; M544-Y546 VanDerWaalsContact C-N 3.27Å; M544-Y546 PolarHBondContact O-N 3.03Å
547E87.9Confident84.9Confident122 Ų12232.8 Ų32.857%0.5719%0.188SC*.Hα-helixtrans-70.7-38.2-175.8-175.6173.7-157.100113W543 M544W543-E547 PolarHBondContact NE1-OE2 2.9Å; W543-E547 WeakPolarHBondContact O-CB 3.34Å; W543-E547 PolarHBondContact O-N 2.84Å; M544-E547 PolarHBondContact O-N 2.69Å
548Q85.4Confident84.6Confident91 Ų9133.9 Ų33.943%0.42520%0.195SC..Hα-helixtrans-94.7-16.4-175.9-59.4176.713.900112.8M544 G550 M552M544-Q548 VanDerWaalsContact O-CB 3.3Å; M544-Q548 WeakPolarHBondContact O-CB 3.4Å; M544-Q548 WeakPolarHBondContact O-CG 3.23Å; M544-Q548 PolarHBondContact O-N 3.42Å; Q548-G550 PolarHBondContact O-N 3.47Å; Q548-M552 PolarHBondContact OE1-O 3.41Å
549G78.7Confident84.3Confident35 Ų3536.7 Ų36.736%0.36121%0.209SC..SBendtrans61.619.2-175.700000114.8I545I545-G549 VanDerWaalsContact O-CA 3.29Å; I545-G549 WeakPolarHBondContact O-CA 3.12Å; I545-G549 PolarHBondContact O-N 3.2Å
550G80.8Confident84.1Confident27 Ų2742.7 Ų42.728%0.27823%0.232SC..SBendtrans-133165-17900000111.4Q548Q548-G550 PolarHBondContact O-N 3.47Å
551V80.1Confident84.1Confident4 Ų442.6 Ų42.62%0.02423%0.231CC..SBendtrans-91.5-18.7-174.3179.80000112.7V77 V84 L87 Q553V77-V551 HydrophobicContact CB-CG1 3.72Å; V77-V551 HydrophobicContact CG2-CG1 4.47Å; V77-V551 WeakPolarHBondContact O-CG1 3.34Å; V84-V551 HydrophobicContact CB-CG2 4.29Å; V84-V551 HydrophobicContact CG1-CG2 4.15Å; V84-V551 HydrophobicContact CG2-CG2 3.67Å; L87-V551 HydrophobicContact CD2-CG1 3.54Å; V551-Q553 PolarHBondContact O-N 2.81Å
552M78.7Confident84.1Confident66 Ų6642.8 Ų42.833%0.32523%0.232SC..  trans-74.1123.5172.8-62.6-57.299.900109.9V77 N78 Q548V77-M552 HydrophobicContact CG2-CE 3.75Å; N78-M552 VanDerWaalsContact OD1-CE 3.27Å; N78-M552 WeakPolarHBondContact OD1-CE 3.41Å; Q548-M552 PolarHBondContact OE1-O 3.41Å
553Q74.7Confident84.1Confident0 Ų047.7 Ų47.70%025%0.254CS..  trans-108.446.4-174.9-61.9150.6-3200110.8R71 K72 A541 M544 I545 V551 A555R71-Q553 HydrophobicContact CG-CB 4.38Å; R71-Q553 HydrophobicContact CG-CG 4.5Å; R71-Q553 VanDerWaalsContact CZ-O 3.28Å; R71-Q553 PolarHBondContact NH1-O 3.13Å; R71-Q553 PolarHBondContact NH2-O 3.15Å; K72-Q553 VanDerWaalsContact CE-C 3.41Å; K72-Q553 WeakPolarHBondContact CE-O 3.43Å; K72-Q553 VanDerWaalsContact NZ-C 3.33Å; K72-Q553 PolarHBondContact NZ-O 2.91Å; A541-Q553 PolarHBondContact O-NE2 3.45Å; M544-Q553 HydrophobicContact CB-CG 4.46Å; I545-Q553 HydrophobicContact CG1-CG 4.25Å; V551-Q553 PolarHBondContact O-N 2.81Å; Q553-A555 VanDerWaalsContact C-N 3.31Å; Q553-A555 PolarHBondContact O-N 3.48Å
554D70.8Confident84.3Confident121 Ų12147.9 Ų47.965%0.64726%0.255SS*.  trans-77.7-9.1-170.7-67.1-36.5000115.1K72K72-D554 IonicContact NZ-OD1 3.29Å; K72-D554 PolarHBondContact NZ-OD1 3.43Å
555A72.2Confident84.5Confident38 Ų3847.8 Ų47.831%0.31425%0.254SS..SBendtrans-70.7152.717300000112.6R71 M544 Q553R71-A555 PolarHBondContact NH2-O 2.94Å; M544-A555 HydrophobicContact CE-CB 4.05Å; M544-A555 VanDerWaalsContact CE-O 3.27Å; M544-A555 WeakPolarHBondContact CE-O 3.26Å; M544-A555 HydrophobicContact SD-CB 3.76Å; Q553-A555 VanDerWaalsContact C-N 3.31Å; Q553-A555 PolarHBondContact O-N 3.48Å
556A75.9Confident84.7Confident56 Ų5647.8 Ų47.846%0.46325%0.254SS..PPolyproline II helixtrans-63.7140.2173.800000111.6P204 M544 P558P204-A556 HydrophobicContact CG-CB 3.72Å; M544-A556 WeakPolarHBondContact CE-O 3.25Å; A556-P558 WeakPolarHBondContact O-CD 3.46Å
557T82.1Confident85Confident8 Ų848 Ų485%0.04926%0.261CS..PPolyproline II helixtrans-61.7120.8178.7-61.20000111.6V540 I559 L562V540-T557 HydrophobicContact CB-CG2 4.44Å; V540-T557 HydrophobicContact CG1-CG2 3.87Å; V540-T557 HydrophobicContact CG2-CG2 3.72Å; T557-I559 PolarHBondContact O-N 3.4Å; T557-L562 HydrophobicContact CG2-CD1 4.22Å; T557-L562 HydrophobicContact CG2-CD2 3.91Å; T557-L562 HydrophobicContact CG2-CG 3.98Å
558P85.8Confident85.3Confident28 Ų2842.2 Ų42.218%0.18223%0.234CC..PPolyproline II helixtrans-61.7126.1178.5-23.732.3000112.5M544 A556 W560 L561M544-P558 HydrophobicContact CE-CG 4.48Å; A556-P558 WeakPolarHBondContact O-CD 3.46Å; P558-W560 HydrophobicContact CB-CG 4.4Å; P558-W560 PolarHBondContact O-N 3.48Å; P558-W560 VanDerWaalsContact O-N 3.17Å; P558-L561 HydrophobicContact CB-CD1 4.15Å; P558-L561 HydrophobicContact CB-CG 4.33Å; P558-L561 HydrophobicContact CG-CD1 3.97Å; P558-L561 WeakPolarHBondContact O-CB 3.32Å; P558-L561 PolarHBondContact O-N 2.94Å
559I85.3Confident85.7Confident59 Ų5937.9 Ų37.930%0.30321%0.214SC..Hα-helixtrans-59.9-31.3-177.2-58.2108.5000112.4M60 L205 T557 L561 L562 F563M60-I559 HydrophobicContact CE-CG2 3.78Å; L205-I559 HydrophobicContact CD1-CD1 3.7Å; L205-I559 HydrophobicContact CD1-CG1 3.89Å; T557-I559 PolarHBondContact O-N 3.4Å; I559-L561 VanDerWaalsContact C-N 3.26Å; I559-L561 PolarHBondContact O-N 3.07Å; I559-L562 WeakPolarHBondContact O-CB 3.4Å; I559-L562 PolarHBondContact O-N 2.89Å; I559-L562 VanDerWaalsContact O-N 3.16Å; I559-F563 PolarHBondContact O-N 3Å
560W91Very high86.4Confident127 Ų12737 Ų3748%0.48120%0.202SC..Hα-helixtrans-65.2-28.5178.373.2-97.1000112.9F14 W543 P558 Y564F14-W560 AromaticContact CE1-CH2 3.76Å; F14-W560 HydrophobicContact CE1-CH2 3.76Å; F14-W560 AromaticContact CE1-CZ3 3.71Å; F14-W560 HydrophobicContact CE1-CZ3 3.71Å; F14-W560 AromaticContact CZ-CH2 3.52Å; F14-W560 HydrophobicContact CZ-CH2 3.52Å; F14-W560 AromaticContact CZ-CZ3 4Å; F14-W560 HydrophobicContact CZ-CZ3 4Å; W543-W560 HydrophobicContact CD2-CZ2 4.35Å; W543-W560 HydrophobicContact CH2-CZ2 4.32Å; W543-W560 HydrophobicContact CZ2-CZ2 4.09Å; P558-W560 HydrophobicContact CB-CG 4.4Å; P558-W560 PolarHBondContact O-N 3.48Å; P558-W560 VanDerWaalsContact O-N 3.17Å; W560-Y564 VanDerWaalsContact O-CB 3.3Å; W560-Y564 WeakPolarHBondContact O-CB 3.36Å; W560-Y564 PolarHBondContact O-N 3.23Å
561L92.1Very high87Confident0 Ų038.2 Ų38.20%020%0.204CC..Hα-helixtrans-71.8-38.9172.9-70172.5000111.4F14 I536 L539 V540 W543 P558 I559 Y564 G565F14-L561 HydrophobicContact CE1-CD2 3.44Å; F14-L561 VanDerWaalsContact CE1-CD2 3.44Å; F14-L561 HydrophobicContact CZ-CD2 3.67Å; I536-L561 HydrophobicContact CG2-CB 4.07Å; L539-L561 HydrophobicContact CD2-CD2 3.98Å; L539-L561 HydrophobicContact CG-CD2 4.42Å; V540-L561 HydrophobicContact CB-CD1 4.46Å; V540-L561 HydrophobicContact CG2-CB 4.01Å; V540-L561 HydrophobicContact CG2-CD1 3.69Å; V540-L561 HydrophobicContact CG2-CG 4.46Å; W543-L561 HydrophobicContact CB-CD1 4.23Å; W543-L561 HydrophobicContact CG-CD1 4.11Å; P558-L561 HydrophobicContact CB-CD1 4.15Å; P558-L561 HydrophobicContact CB-CG 4.33Å; P558-L561 HydrophobicContact CG-CD1 3.97Å; P558-L561 WeakPolarHBondContact O-CB 3.32Å; P558-L561 PolarHBondContact O-N 2.94Å; I559-L561 VanDerWaalsContact C-N 3.26Å; I559-L561 PolarHBondContact O-N 3.07Å; L561-Y564 WeakPolarHBondContact O-CB 3.28Å; L561-Y564 PolarHBondContact O-N 3.29Å; L561-G565 PolarHBondContact O-N 3.39Å
562L91.7Very high87.5Confident4 Ų438 Ų382%0.02120%0.203CC..Hα-helixtrans-64.1-46.1173.8-59.1175000110.6S59 A64 V532 T557 I559 Y564 G565 G566S59-L562 PolarHBondContact OG-O 3.21Å; A64-L562 HydrophobicContact CB-CD1 4.15Å; V532-L562 HydrophobicContact CG1-CD2 4.03Å; V532-L562 HydrophobicContact CG2-CD2 4.28Å; T557-L562 HydrophobicContact CG2-CD1 4.22Å; T557-L562 HydrophobicContact CG2-CD2 3.91Å; T557-L562 HydrophobicContact CG2-CG 3.98Å; I559-L562 WeakPolarHBondContact O-CB 3.4Å; I559-L562 PolarHBondContact O-N 2.89Å; I559-L562 VanDerWaalsContact O-N 3.16Å; L562-Y564 PolarHBondContact O-N 3.06Å; L562-G565 PolarHBondContact O-N 3.32Å; L562-G566 PolarHBondContact O-N 3.21Å
563F93.6Very high88Confident103 Ų10334.9 Ų34.945%0.45219%0.187SC..Hα-helixtrans-59.5-43.5174.3-178.7-106000112.2T56 M60 I559 G565 G566 V567T56-F563 HydrophobicContact CG2-CD2 3.94Å; T56-F563 HydrophobicContact CG2-CE2 4.03Å; M60-F563 HydrophobicContact CG-CB 4.32Å; M60-F563 HydrophobicContact SD-CB 4.32Å; M60-F563 HydrophobicContact SD-CD2 3.72Å; M60-F563 HydrophobicContact SD-CG 4.47Å; I559-F563 PolarHBondContact O-N 3Å; F563-G565 VanDerWaalsContact C-N 3.34Å; F563-G565 PolarHBondContact O-N 3.4Å; F563-G566 PolarHBondContact O-N 2.87Å; F563-G566 VanDerWaalsContact O-N 3.13Å; F563-V567 HydrophobicContact CD1-CG2 4.35Å; F563-V567 HydrophobicContact CE1-CG2 3.91Å; F563-V567 HydrophobicContact CE2-CG2 4.3Å; F563-V567 HydrophobicContact CZ-CG2 3.89Å; F563-V567 WeakPolarHBondContact O-CG2 3.46Å; F563-V567 PolarHBondContact O-N 3.43Å
564Y95.3Very high88.7Confident61 Ų6140.7 Ų40.724%0.23921%0.21CC..Hα-helixtrans-55.8-45.4174.2175.5-101.5000112.4F14 F18 I536 L539 W560 L561 L562 V567 G568F14-Y564 HydrophobicContact CD1-CD1 4.3Å; F14-Y564 AromaticContact CD1-CE1 3.77Å; F14-Y564 HydrophobicContact CD1-CE1 3.77Å; F14-Y564 HydrophobicContact CD1-CE2 4.49Å; F14-Y564 AromaticContact CD1-CZ 3.86Å; F14-Y564 HydrophobicContact CE1-CE1 4.5Å; F14-Y564 PolarHBondContact O-OH 3.02Å; F18-Y564 HydrophobicContact CB-CE1 4.28Å; F18-Y564 HydrophobicContact CD2-CE1 4.37Å; F18-Y564 HydrophobicContact CD2-CE2 4.05Å; F18-Y564 AromaticContact CD2-CZ 3.9Å; I536-Y564 HydrophobicContact CD1-CD1 4.17Å; L539-Y564 HydrophobicContact CD2-CD1 4.1Å; L539-Y564 HydrophobicContact CD2-CE1 4.05Å; W560-Y564 VanDerWaalsContact O-CB 3.3Å; W560-Y564 WeakPolarHBondContact O-CB 3.36Å; W560-Y564 PolarHBondContact O-N 3.23Å; L561-Y564 WeakPolarHBondContact O-CB 3.28Å; L561-Y564 PolarHBondContact O-N 3.29Å; L562-Y564 PolarHBondContact O-N 3.06Å; Y564-V567 PolarHBondContact O-N 3.5Å; Y564-G568 PolarHBondContact O-N 3.22Å
565G94.1Very high89.6Confident0 Ų038.2 Ų38.20%020%0.198CC..Hα-helixtrans-65.9-38.9173.800000113.8L561 L562 F563 V567 G568 I569L561-G565 PolarHBondContact O-N 3.39Å; L562-G565 PolarHBondContact O-N 3.32Å; F563-G565 VanDerWaalsContact C-N 3.34Å; F563-G565 PolarHBondContact O-N 3.4Å; G565-V567 VanDerWaalsContact C-N 3.31Å; G565-V567 PolarHBondContact O-N 3Å; G565-G568 WeakPolarHBondContact O-CA 3.44Å; G565-G568 PolarHBondContact O-N 3.32Å; G565-G568 VanDerWaalsContact O-N 3.12Å; G565-I569 WeakPolarHBondContact O-CG1 3.48Å; G565-I569 PolarHBondContact O-N 2.94Å
566G93.7Very high90.2Very high0 Ų040.1 Ų40.10%020%0.198CC..Hα-helixtrans-57.9-42.1173.200000112.3L562 F563 I569 C570L562-G566 PolarHBondContact O-N 3.21Å; F563-G566 PolarHBondContact O-N 2.87Å; F563-G566 VanDerWaalsContact O-N 3.13Å; G566-I569 PolarHBondContact O-N 3.09Å; G566-C570 WeakPolarHBondContact O-CB 3.28Å; G566-C570 PolarHBondContact O-N 2.85Å; G566-C570 PolarHBondContact O-SG 3.18Å
567V95.1Very high90.3Very high58 Ų5837.5 Ų37.535%0.35218%0.176SC..Hα-helixtrans-64.5-40.3173.6174.50000111.7F18 F563 Y564 G565 C570 T571F18-V567 HydrophobicContact CE2-CG1 4.36Å; F563-V567 HydrophobicContact CD1-CG2 4.35Å; F563-V567 HydrophobicContact CE1-CG2 3.91Å; F563-V567 HydrophobicContact CE2-CG2 4.3Å; F563-V567 HydrophobicContact CZ-CG2 3.89Å; F563-V567 WeakPolarHBondContact O-CG2 3.46Å; F563-V567 PolarHBondContact O-N 3.43Å; Y564-V567 PolarHBondContact O-N 3.5Å; G565-V567 VanDerWaalsContact C-N 3.31Å; G565-V567 PolarHBondContact O-N 3Å; V567-C570 PolarHBondContact O-N 2.92Å; V567-T571 WeakPolarHBondContact O-CB 3.42Å; V567-T571 PolarHBondContact O-N 2.94Å; V567-T571 PolarHBondContact O-OG1 3.12Å
568G94.8Very high90Very high0 Ų043.3 Ų43.30%020%0.197CC..Hα-helixtrans-60.3-49.6173.500000112.8F22 Y564 G565 C570 T571 G572F22-G568 WeakPolarHBondContact CA-O 3.33Å; Y564-G568 PolarHBondContact O-N 3.22Å; G565-G568 WeakPolarHBondContact O-CA 3.44Å; G565-G568 PolarHBondContact O-N 3.32Å; G565-G568 VanDerWaalsContact O-N 3.12Å; G568-C570 PolarHBondContact O-N 3.09Å; G568-T571 WeakPolarHBondContact O-CB 3.45Å; G568-T571 PolarHBondContact O-N 3.28Å; G568-T571 VanDerWaalsContact O-N 3.1Å; G568-G572 PolarHBondContact O-N 3Å
569I93.4Very high89.4Confident0 Ų048.5 Ų48.50%021%0.213CC..Hα-helixtrans-56.3-50.5175.7-71.5165.9000110.7A21 E55 D531 V532 G565 G566 T571 G572 L573A21-I569 HydrophobicContact CB-CG1 4.15Å; A21-I569 WeakPolarHBondContact O-CA 3.31Å; A21-I569 WeakPolarHBondContact O-CG1 3.17Å; E55-I569 HydrophobicContact CB-CG2 4.39Å; E55-I569 WeakPolarHBondContact OE2-CG2 3.38Å; D531-I569 HydrophobicContact CB-CD1 4.17Å; V532-I569 HydrophobicContact CB-CD1 4.1Å; G565-I569 WeakPolarHBondContact O-CG1 3.48Å; G565-I569 PolarHBondContact O-N 2.94Å; G566-I569 PolarHBondContact O-N 3.09Å; I569-T571 VanDerWaalsContact C-N 3.28Å; I569-T571 PolarHBondContact O-N 3.09Å; I569-G572 PolarHBondContact O-N 3.35Å; I569-G572 VanDerWaalsContact O-N 3.1Å; I569-L573 PolarHBondContact O-N 3.33Å
570C93.1Very high88.7Confident17 Ų1746.1 Ų46.112%0.11520%0.201CC..Hα-helixtrans-57.3-41.2175.5-68.20000112S52 T56 G566 V567 G568 G572 L573 W574S52-C570 VanDerWaalsContact CA-SG 3.55Å; S52-C570 PolarHBondContact O-SG 2.92Å; T56-C570 PolarHBondContact OG1-SG 3.48Å; G566-C570 WeakPolarHBondContact O-CB 3.28Å; G566-C570 PolarHBondContact O-N 2.85Å; G566-C570 PolarHBondContact O-SG 3.18Å; V567-C570 PolarHBondContact O-N 2.92Å; G568-C570 PolarHBondContact O-N 3.09Å; C570-G572 VanDerWaalsContact C-N 3.33Å; C570-G572 PolarHBondContact O-N 3.26Å; C570-L573 WeakPolarHBondContact O-CB 3.43Å; C570-L573 PolarHBondContact O-N 3.46Å; C570-W574 PolarHBondContact O-N 3.02Å; C570-W574 VanDerWaalsContact O-N 3.09Å
571T93.6Very high88Confident52 Ų5240.1 Ų40.132%0.31918%0.179SC..Hα-helixtrans-63.4-40.7178.3-52.10000111F18 F22 V567 G568 I569 V575F18-T571 HydrophobicContact CE1-CG2 4.46Å; F18-T571 HydrophobicContact CZ-CG2 4.39Å; F22-T571 HydrophobicContact CD2-CG2 3.89Å; F22-T571 HydrophobicContact CE2-CG2 4.11Å; V567-T571 WeakPolarHBondContact O-CB 3.42Å; V567-T571 PolarHBondContact O-N 2.94Å; V567-T571 PolarHBondContact O-OG1 3.12Å; G568-T571 WeakPolarHBondContact O-CB 3.45Å; G568-T571 PolarHBondContact O-N 3.28Å; G568-T571 VanDerWaalsContact O-N 3.1Å; I569-T571 VanDerWaalsContact C-N 3.28Å; I569-T571 PolarHBondContact O-N 3.09Å; T571-V575 VanDerWaalsContact O-CG2 3.31Å; T571-V575 WeakPolarHBondContact O-CG2 3.36Å; T571-V575 PolarHBondContact O-N 2.9Å
572G90.9Very high87Confident0 Ų044.8 Ų44.80%020%0.201CC..Hα-helixtrans-60.2-49.1174.100000113.9F22 G568 I569 C570 W574 V575 W576 G577F22-G572 VanDerWaalsContact CD2-N 3.31Å; F22-G572 WeakPolarHBondContact O-CA 3.45Å; G568-G572 PolarHBondContact O-N 3Å; I569-G572 PolarHBondContact O-N 3.35Å; I569-G572 VanDerWaalsContact O-N 3.1Å; C570-G572 VanDerWaalsContact C-N 3.33Å; C570-G572 PolarHBondContact O-N 3.26Å; G572-W574 PolarHBondContact O-N 3.3Å; G572-V575 PolarHBondContact O-N 3.17Å; G572-W576 PolarHBondContact O-N 2.85Å; G572-G577 PolarHBondContact O-N 3.44Å; G572-G577 VanDerWaalsContact O-N 3.1Å
573L89.8Confident85.8Confident0 Ų046.2 Ų46.20%021%0.209CC..Iπ-helixtrans-50.4-55.2174.3160.652.7000112.2G25 V29 C48 A51 I569 C570 V575 G577 R578 I581G25-L573 WeakPolarHBondContact O-CA 3.47Å; G25-L573 PolarHBondContact O-N 3.43Å; V29-L573 HydrophobicContact CB-CD1 4.13Å; V29-L573 HydrophobicContact CG1-CD1 3.7Å; V29-L573 HydrophobicContact CG2-CB 3.98Å; V29-L573 HydrophobicContact CG2-CD1 3.88Å; V29-L573 HydrophobicContact CG2-CD2 4.16Å; V29-L573 HydrophobicContact CG2-CG 4.2Å; C48-L573 HydrophobicContact CB-CD1 4.14Å; C48-L573 HydrophobicContact CB-CG 4.39Å; A51-L573 HydrophobicContact CB-CD2 3.6Å; I569-L573 PolarHBondContact O-N 3.33Å; C570-L573 WeakPolarHBondContact O-CB 3.43Å; C570-L573 PolarHBondContact O-N 3.46Å; L573-V575 PolarHBondContact O-N 3.43Å; L573-G577 WeakPolarHBondContact O-CA 3.43Å; L573-G577 PolarHBondContact O-N 2.98Å; L573-G577 VanDerWaalsContact O-N 3.08Å; L573-R578 PolarHBondContact O-N 2.89Å; L573-I581 HydrophobicContact CD1-CD1 4.17Å
574W89.6Confident84.4Confident123 Ų12343.3 Ų43.347%0.46620%0.198SC..Iπ-helixtrans-67.6-34.8-175.3-8294.9000113C48 I49 S52 C570 G572C48-W574 HydrophobicContact CB-CD2 4.12Å; C48-W574 HydrophobicContact CB-CE3 4.31Å; C48-W574 HydrophobicContact CB-CH2 4.05Å; C48-W574 HydrophobicContact CB-CZ2 3.82Å; C48-W574 HydrophobicContact CB-CZ3 4.29Å; I49-W574 HydrophobicContact CG1-CH2 3.83Å; I49-W574 HydrophobicContact CG1-CZ2 3.73Å; S52-W574 PolarHBondContact OG-NE1 3.43Å; C570-W574 PolarHBondContact O-N 3.02Å; C570-W574 VanDerWaalsContact O-N 3.09Å; G572-W574 PolarHBondContact O-N 3.3Å
575V89.4Confident82.9Confident68 Ų6840.6 Ų40.641%0.41219%0.188SC..Iπ-helixtrans-84-51.4-175.6177.40000111.9F22 T571 G572 L573F22-V575 HydrophobicContact CE2-CB 3.8Å; F22-V575 HydrophobicContact CE2-CG1 4.17Å; F22-V575 HydrophobicContact CE2-CG2 4.04Å; F22-V575 HydrophobicContact CZ-CB 3.84Å; F22-V575 HydrophobicContact CZ-CG1 3.83Å; T571-V575 VanDerWaalsContact O-CG2 3.31Å; T571-V575 WeakPolarHBondContact O-CG2 3.36Å; T571-V575 PolarHBondContact O-N 2.9Å; G572-V575 PolarHBondContact O-N 3.17Å; L573-V575 PolarHBondContact O-N 3.43Å
576W84.9Confident81.3Confident78 Ų7848.1 Ų48.130%0.29522%0.221SC..Iπ-helixtrans-117-32.8-173.9-78.51.5000114.6F22 A26 L103 G572 R578 R579F22-W576 HydrophobicContact CE1-CD2 4.1Å; F22-W576 AromaticContact CE1-CE3 3.97Å; F22-W576 HydrophobicContact CE1-CE3 3.97Å; F22-W576 HydrophobicContact CE1-CZ3 4.38Å; F22-W576 HydrophobicContact CZ-CD2 4.38Å; F22-W576 HydrophobicContact CZ-CG 4.44Å; A26-W576 HydrophobicContact CB-CB 3.74Å; A26-W576 HydrophobicContact CB-CE3 4.44Å; L103-W576 HydrophobicContact CD2-CH2 4.18Å; L103-W576 HydrophobicContact CD2-CZ3 3.67Å; G572-W576 PolarHBondContact O-N 2.85Å; W576-R578 PolarHBondContact O-N 3.04Å; W576-R579 PolarHBondContact O-N 3.42Å
577G77.8Confident79.5Confident1 Ų153.5 Ų53.51%0.0125%0.25CC..Iπ-helixtrans-52.2-34.1-177.800000114.1A26 G572 L573 R579 V580 I581A26-G577 WeakPolarHBondContact O-CA 3.23Å; G572-G577 PolarHBondContact O-N 3.44Å; G572-G577 VanDerWaalsContact O-N 3.1Å; L573-G577 WeakPolarHBondContact O-CA 3.43Å; L573-G577 PolarHBondContact O-N 2.98Å; L573-G577 VanDerWaalsContact O-N 3.08Å; G577-R579 PolarHBondContact O-N 3.27Å; G577-V580 PolarHBondContact O-N 3.23Å; G577-I581 VanDerWaalsContact O-CG1 3.3Å; G577-I581 WeakPolarHBondContact O-CG1 3.25Å; G577-I581 PolarHBondContact O-N 2.95Å
578R74.8Confident77.5Confident131 Ų13156.3 Ų56.349%0.49426%0.262SS..Hα-helixtrans-50.7-28.4173.267.1171.7174.5154.4-4.5115.5L44 L573 W576 Q582L44-R578 HydrophobicContact CD2-CB 4Å; L44-R578 HydrophobicContact CG-CB 4.38Å; L573-R578 PolarHBondContact O-N 2.89Å; W576-R578 PolarHBondContact O-N 3.04Å; R578-Q582 WeakPolarHBondContact O-CG 3.27Å
579R73.4Confident75.4Confident136 Ų13660.2 Ų60.251%0.51329%0.286SS..Hα-helixtrans-82.2-40.8177.9-68.4178.4174170.6-2.1111.9W576 G577 Q582 T583W576-R579 PolarHBondContact O-N 3.42Å; G577-R579 PolarHBondContact O-N 3.27Å; R579-Q582 PolarHBondContact O-N 3.45Å; R579-T583 PolarHBondContact O-N 2.92Å
580V71.8Confident73.5Confident10 Ų1066.5 Ų66.56%0.06133%0.327CS..Hα-helixtrans-70-40.3-178.9-172.30000110.5A26 A30 G577 Q582 T583 M584A26-V580 WeakPolarHBondContact O-CG2 3.34Å; A30-V580 HydrophobicContact CB-CB 4.26Å; A30-V580 HydrophobicContact CB-CG1 3.73Å; G577-V580 PolarHBondContact O-N 3.23Å; V580-Q582 VanDerWaalsContact C-N 3.3Å; V580-Q582 PolarHBondContact O-N 3.01Å; V580-T583 PolarHBondContact O-N 3.06Å; V580-M584 HydrophobicContact CG1-CG 4.33Å; V580-M584 WeakPolarHBondContact O-CG 3.34Å; V580-M584 PolarHBondContact O-N 3.28Å
581I74.9Confident71.9Confident0 Ų067.5 Ų67.50%033%0.331CS..Hα-helixtrans-57.6-41.5173.7-63.1163.4000111.5V29 A30 V37 L44 L573 G577 G585V29-I581 HydrophobicContact CG1-CD1 3.85Å; V29-I581 HydrophobicContact CG1-CG1 4.32Å; A30-I581 HydrophobicContact CB-CG1 4.04Å; V37-I581 HydrophobicContact CB-CG2 3.84Å; V37-I581 HydrophobicContact CG1-CG2 3.96Å; V37-I581 HydrophobicContact CG2-CG2 3.85Å; L44-I581 HydrophobicContact CD1-CB 3.93Å; L44-I581 HydrophobicContact CD1-CD1 4.07Å; L44-I581 HydrophobicContact CD1-CG2 3.64Å; L573-I581 HydrophobicContact CD1-CD1 4.17Å; G577-I581 VanDerWaalsContact O-CG1 3.3Å; G577-I581 WeakPolarHBondContact O-CG1 3.25Å; G577-I581 PolarHBondContact O-N 2.95Å; I581-G585 PolarHBondContact O-N 3Å
582Q71.1Confident70.2Confident99 Ų9967.8 Ų67.846%0.46333%0.332SS..Hα-helixtrans-64.9-44.7178.5-76.5176.7-14.400112L44 R578 R579 V580 G585 K586L44-Q582 HydrophobicContact CD2-CG 4.21Å; R578-Q582 WeakPolarHBondContact O-CG 3.27Å; R579-Q582 PolarHBondContact O-N 3.45Å; V580-Q582 VanDerWaalsContact C-N 3.3Å; V580-Q582 PolarHBondContact O-N 3.01Å; Q582-G585 PolarHBondContact O-N 2.8Å; Q582-K586 WeakPolarHBondContact O-CB 3.38Å; Q582-K586 PolarHBondContact O-N 3.24Å; Q582-K586 VanDerWaalsContact O-N 3.09Å
583T67.7Low68.5Low33 Ų3368.4 Ų68.420%0.20234%0.336CS..Hα-helixtrans-68-44.4178.9-74.10000111.9R579 V580 G585 D587R579-T583 PolarHBondContact O-N 2.92Å; V580-T583 PolarHBondContact O-N 3.06Å; T583-G585 VanDerWaalsContact C-N 3.33Å; T583-G585 PolarHBondContact O-N 3.09Å; T583-D587 VanDerWaalsContact CA-OD2 3.24Å; T583-D587 WeakPolarHBondContact CA-OD2 3.4Å; T583-D587 WeakPolarHBondContact CB-OD2 3.35Å; T583-D587 HydrophobicContact CG2-CB 4.17Å; T583-D587 WeakPolarHBondContact CG2-OD2 3.43Å; T583-D587 WeakPolarHBondContact O-CB 3.44Å; T583-D587 PolarHBondContact O-N 3.24Å; T583-D587 PolarHBondContact OG1-OD2 3.41Å
584M64.3Low66.3Low43 Ų4369 Ų6921%0.21234%0.34CS..Hα-helixtrans-62.9-37.3176.5-70.9-71.9-70.200113A30 P111 V580 L588A30-M584 HydrophobicContact CB-CB 4.06Å; A30-M584 HydrophobicContact CB-CG 3.68Å; P111-M584 HydrophobicContact CB-SD 4.32Å; P111-M584 HydrophobicContact CG-SD 4.29Å; V580-M584 HydrophobicContact CG1-CG 4.33Å; V580-M584 WeakPolarHBondContact O-CG 3.34Å; V580-M584 PolarHBondContact O-N 3.28Å; M584-L588 HydrophobicContact CE-CD1 4.07Å; M584-L588 HydrophobicContact SD-CD1 3.49Å; M584-L588 WeakPolarHBondContact SD-CD1 3.43Å
585G62.4Low64.2Low4 Ų471.3 Ų71.34%0.04135%0.349CS..Hα-helixtrans-86.3-13-176.600000116G34 G38 I581 Q582 T583G34-G585 WeakPolarHBondContact O-CA 3.45Å; G38-G585 WeakPolarHBondContact CA-O 3.43Å; I581-G585 PolarHBondContact O-N 3Å; Q582-G585 PolarHBondContact O-N 2.8Å; T583-G585 VanDerWaalsContact C-N 3.33Å; T583-G585 PolarHBondContact O-N 3.09Å
586K61Low62.9Low157 Ų15771.5 Ų71.568%0.68335%0.346SS*.Hα-helixtrans-127.2-30.1-176.7-64.2-169.2174.3-166.50115.2Q582Q582-K586 WeakPolarHBondContact O-CB 3.38Å; Q582-K586 PolarHBondContact O-N 3.24Å; Q582-K586 VanDerWaalsContact O-N 3.09Å
587D55.4Low61.8Low113 Ų11371.2 Ų71.260%0.60435%0.349SS*.THydrogen-bonded Turntrans-101-9.4-166.8-54.2-26.6000113.1T583T583-D587 VanDerWaalsContact CA-OD2 3.24Å; T583-D587 WeakPolarHBondContact CA-OD2 3.4Å; T583-D587 WeakPolarHBondContact CB-OD2 3.35Å; T583-D587 HydrophobicContact CG2-CB 4.17Å; T583-D587 WeakPolarHBondContact CG2-OD2 3.43Å; T583-D587 WeakPolarHBondContact O-CB 3.44Å; T583-D587 PolarHBondContact O-N 3.24Å; T583-D587 PolarHBondContact OG1-OD2 3.41Å
588L54.5Low60.9Low118 Ų11875.1 Ų75.162%0.61837%0.368SS*.SBendtrans-93.9-58.3-179.5-79.9171.3000113.5M584M584-L588 HydrophobicContact CE-CD1 4.07Å; M584-L588 HydrophobicContact SD-CD1 3.49Å; M584-L588 WeakPolarHBondContact SD-CD1 3.43Å
589T50.5Low60.1Low82 Ų8271.8 Ų71.850%0.50336%0.36SS..  trans-148.5150175.949.70000109.8I591T589-I591 PolarHBondContact O-N 3.34Å
590P51.9Low59.2Low132 Ų13267.8 Ų67.886%0.85735%0.351SS*.  trans-66127.1164.629.1-32.3000108.8
591I61.4Low58.4Low38 Ų3871.6 Ų71.620%0.19537%0.37CS..  trans-115.6129.2-178.9-58.3172.8000108T35 S39 T589T35-I591 HydrophobicContact CG2-CD1 4.08Å; S39-I591 WeakPolarHBondContact CA-O 3.26Å; T589-I591 PolarHBondContact O-N 3.34Å
592T57.3Low57.2Low57 Ų5776.7 Ų76.735%0.3540%0.396SS..  trans-102.8160.3165.779.10000108.9D504 S594 R595D504-T592 PolarHBondContact OD2-OG1 3.31Å; T592-S594 PolarHBondContact O-N 3.08Å; T592-S594 VanDerWaalsContact O-N 3.08Å; T592-S594 PolarHBondContact OG1-N 3.22Å; T592-S594 PolarHBondContact OG1-OG 3Å; T592-R595 PolarHBondContact N-O 3.33Å; T592-R595 VanDerWaalsContact N-O 3.12Å; T592-R595 PolarHBondContact O-N 3.04Å; T592-R595 WeakPolarHBondContact OG1-CB 3.19Å; T592-R595 PolarHBondContact OG1-N 3.12Å; T592-R595 VanDerWaalsContact OG1-N 3.1Å
593P55.1Low56.2Low13 Ų1375 Ų758%0.08439%0.391CS..THydrogen-bonded Turntrans-61.2-20.1177.5-24.335.4000113.6V41 F509 F512V41-P593 HydrophobicContact CG2-CB 3.94Å; V41-P593 HydrophobicContact CG2-CG 3.58Å; F509-P593 HydrophobicContact CD2-CB 4.44Å; F509-P593 HydrophobicContact CD2-CG 3.63Å; F509-P593 HydrophobicContact CE1-CG 4.42Å; F509-P593 VanDerWaalsContact CE2-CD 3.4Å; F509-P593 HydrophobicContact CE2-CG 3.36Å; F509-P593 HydrophobicContact CG-CG 4.28Å; F509-P593 HydrophobicContact CZ-CG 3.79Å; F512-P593 HydrophobicContact CB-CB 4.36Å; F512-P593 VanDerWaalsContact CB-O 3.3Å; F512-P593 WeakPolarHBondContact CB-O 3.42Å
594S42.6Very low55.2Low12 Ų1278.5 Ų78.58%0.08441%0.407CS..THydrogen-bonded Turntrans-101.1-15.6-177.216.20000114.5D504 T592D504-S594 VanDerWaalsContact CG-OG 3.22Å; D504-S594 WeakPolarHBondContact OD2-CB 3.42Å; D504-S594 PolarHBondContact OD2-OG 3.47Å; T592-S594 PolarHBondContact O-N 3.08Å; T592-S594 VanDerWaalsContact O-N 3.08Å; T592-S594 PolarHBondContact OG1-N 3.22Å; T592-S594 PolarHBondContact OG1-OG 3Å
595R46.2Very low54.4Low173 Ų17381.7 Ų81.765%0.65343%0.425SS*.  trans-137.80-175.4-55.8-175.6-170.8-149-6.2111.1E502 D504 T592E502-R595 IonicContact OE2-NH2 3.78Å; E502-R595 PolarHBondContact OE2-NH2 3.26Å; D504-R595 IonicContact OD1-CZ 3.52Å; D504-R595 IonicContact OD1-NE 3.88Å; D504-R595 PolarHBondContact OD1-NE 3.23Å; D504-R595 IonicContact OD1-NH2 3.9Å; D504-R595 PolarHBondContact OD1-NH2 3.4Å; D504-R595 IonicContact OD2-NE 2.96Å; T592-R595 PolarHBondContact N-O 3.33Å; T592-R595 VanDerWaalsContact N-O 3.12Å; T592-R595 PolarHBondContact O-N 3.04Å; T592-R595 WeakPolarHBondContact OG1-CB 3.19Å; T592-R595 PolarHBondContact OG1-N 3.12Å; T592-R595 VanDerWaalsContact OG1-N 3.1Å

Retrieved 595 of 595 residues in 3052.6 ms (Link to these results)

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