A0A077Z138_TRITR Loading...

Nuclear receptor subfamily 2 group E member

AlphaFold DB , UniProt , Accession A0A077Z138, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 430 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

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
1M41.5Very low46.3Very low242 Ų242156 Ų156100%1.19273%0.731SS**  013.10-82.3-172.1173.600114.6
2R41.2Very low46.6Very low229 Ų229158 Ų15886%0.86474%0.736SS**  trans-92.2-2.6-176.5-76.1-176-175.5171.82.6115.9
3D50.9Low47.7Very low133 Ų133151.5 Ų151.571%0.71174%0.737SS**SBendtrans-95.4-17.3-167.3-57.8-56000116.7
4A49.8Very low49.7Very low82 Ų82152 Ų15268%0.67873%0.727SS**Hα-helixtrans-78.6-23.2178.500000113.4D6A4-D6 VanDerWaalsContact C-N 3.33Å
5A47.5Very low51.8Low53 Ų53147.5 Ų147.544%0.43871%0.708SS.*Hα-helixtrans-74.8-24.2179.100000112.6R9A5-R9 PolarHBondContact O-N 3.11Å
6D46.8Very low53.8Low95 Ų95142.5 Ų142.551%0.50869%0.685SS.*Hα-helixtrans-79.8-36.4-174.8-15937.4000112.6A4 R8 R9 R10A4-D6 VanDerWaalsContact C-N 3.33Å; D6-R8 VanDerWaalsContact C-N 3.33Å; D6-R8 PolarHBondContact O-N 3.11Å; D6-R9 WeakPolarHBondContact O-CB 3.5Å; D6-R9 PolarHBondContact O-N 3.38Å; D6-R9 VanDerWaalsContact O-N 3.11Å; D6-R10 PolarHBondContact O-N 3.23Å
7L46.6Very low55.5Low140 Ų140141.1 Ų141.173%0.73368%0.681SS**Hα-helixtrans-64.9-34.4174.6-104.680.7000113.1R9L7-R9 VanDerWaalsContact C-N 3.33Å
8R45Very low57.4Low211 Ų211141.9 Ų141.980%0.79669%0.69SS**Hα-helixtrans-74.4-24.6174.6-68-174.1-178.1-174.31.2112.5D6D6-R8 VanDerWaalsContact C-N 3.33Å; D6-R8 PolarHBondContact O-N 3.11Å
9R45.2Very low59.4Low167 Ų167137.3 Ų137.363%0.6367%0.669SS**Hα-helixtrans-73.9-32.7177.9-122.1-178.5-88.2169.1-10.2112.3A5 D6 L7 H11 K12A5-R9 PolarHBondContact O-N 3.11Å; D6-R9 WeakPolarHBondContact O-CB 3.5Å; D6-R9 PolarHBondContact O-N 3.38Å; D6-R9 VanDerWaalsContact O-N 3.11Å; L7-R9 VanDerWaalsContact C-N 3.33Å; R9-H11 PolarHBondContact O-N 3.18Å; R9-H11 VanDerWaalsContact O-N 3.15Å; R9-K12 PolarHBondContact O-N 3.15Å
10R45.3Very low61.2Low222 Ų222133.8 Ų133.884%0.83866%0.657SS**Hα-helixtrans-61.2-21.8177.7-108179.8172.7-175.7-0.5115.2D6D6-R10 PolarHBondContact O-N 3.23Å
11H49Very low63Low142 Ų142127.4 Ų127.466%0.65763%0.626SS**Hα-helixtrans-96.8-19175.8-99.4-46.5000114.8R9 G13R9-H11 PolarHBondContact O-N 3.18Å; R9-H11 VanDerWaalsContact O-N 3.15Å; H11-G13 VanDerWaalsContact C-N 3.32Å; H11-G13 PolarHBondContact O-N 3.48Å
12K50.5Low65.7Low180 Ų180121.5 Ų121.578%0.78359%0.593SS**Hα-helixtrans-74.5-18.9177.8-85.6-172.9173.3-173.60113.8R9R9-K12 PolarHBondContact O-N 3.15Å
13G61.2Low68.4Low73 Ų73110.6 Ų110.675%0.75355%0.552SS**THydrogen-bonded Turntrans-82.4-6.8-177.600000116.2H11H11-G13 VanDerWaalsContact C-N 3.32Å; H11-G13 PolarHBondContact O-N 3.48Å
14R74.6Confident70.7Confident159 Ų159104.3 Ų104.360%0.652%0.518SS*.SBendtrans-94.4-20.2-175.1-138.6-168.9-75.4-166.4-1.7113.9S29R14-S29 CarbonylContact O-C 3.58Å; R14-S29 WeakPolarHBondContact O-CA 3.31Å
15I81.5Confident72.9Confident85 Ų85106.4 Ų106.444%0.43651%0.514SS..  trans-93.9117-179.3-57.8177.2000107.9L17 H27I15-L17 HydrophobicContact CG2-CD2 4.02Å; I15-L17 PolarHBondContact O-N 3.31Å; I15-H27 HydrophobicContact CG2-CB 3.39Å
16L83.9Confident75.3Confident67 Ų67105 Ų10535%0.35150%0.499SS..EExtended strand (participates in β ladder)trans-82.997.3173-62.9158.7000107.2D18 I19 S28 F36L16-D18 PolarHBondContact O-N 3.32Å; L16-I19 HydrophobicContact CB-CB 3.93Å; L16-I19 HydrophobicContact CB-CD1 4.29Å; L16-I19 HydrophobicContact CB-CG1 4.28Å; L16-I19 HydrophobicContact CD1-CD1 4.05Å; L16-I19 HydrophobicContact CD2-CD1 4.39Å; L16-I19 HydrophobicContact CG-CD1 4.47Å; L16-I19 PolarHBondContact O-N 3.36Å; L16-S28 PolarHBondContact N-O 3.31Å; L16-F36 HydrophobicContact CD1-CD1 4.26Å; L16-F36 HydrophobicContact CD1-CE1 4.15Å
17L82.6Confident77.7Confident118 Ų118104.3 Ų104.362%0.61849%0.493SS*.EExtended strand (participates in β ladder)trans-62.8-33.7-177.5-65.2174.7000111.9I15 I19 H27I15-L17 HydrophobicContact CG2-CD2 4.02Å; I15-L17 PolarHBondContact O-N 3.31Å; L17-I19 VanDerWaalsContact C-N 3.33Å; L17-I19 PolarHBondContact O-N 3.39Å; L17-H27 PolarHBondContact O-CD2 3.47Å
18D89.7Confident80Confident157 Ų15797.6 Ų97.684%0.8446%0.458SS*.EExtended strand (participates in β ladder)trans-85-5.6-176.2-49.9-47.5000113.6L16L16-D18 PolarHBondContact O-N 3.32Å
19I94.9Very high82.4Confident54 Ų5488.2 Ų88.228%0.27742%0.424SS..EExtended strand (participates in β ladder)trans-117.4106.6-175.6-58.9176.9000109.4L16 L17 S28 F36L16-I19 HydrophobicContact CB-CB 3.93Å; L16-I19 HydrophobicContact CB-CD1 4.29Å; L16-I19 HydrophobicContact CB-CG1 4.28Å; L16-I19 HydrophobicContact CD1-CD1 4.05Å; L16-I19 HydrophobicContact CD2-CD1 4.39Å; L16-I19 HydrophobicContact CG-CD1 4.47Å; L16-I19 PolarHBondContact O-N 3.36Å; L17-I19 VanDerWaalsContact C-N 3.33Å; L17-I19 PolarHBondContact O-N 3.39Å; I19-S28 WeakPolarHBondContact O-CA 3.37Å; I19-S28 WeakPolarHBondContact O-CB 3.46Å; I19-S28 PolarHBondContact O-N 3.47Å; I19-F36 HydrophobicContact CD1-CE1 4.11Å; I19-F36 HydrophobicContact CD1-CZ 4.3Å; I19-F36 HydrophobicContact CG2-CB 3.65Å; I19-F36 HydrophobicContact CG2-CD1 3.69Å; I19-F36 HydrophobicContact CG2-CD2 4.02Å; I19-F36 HydrophobicContact CG2-CE1 4.3Å; I19-F36 HydrophobicContact CG2-CG 3.52Å
20P96.8Very high84.7Confident67 Ų6781 Ų8144%0.43540%0.401SS..EExtended strand (participates in β ladder)trans-77.5149.4-179.831.3-34.8000111.9K22P20-K22 PolarHBondContact O-N 3.27Å
21C98.3Very high87.1Confident0 Ų077.8 Ų77.80%039%0.394CS..  trans-66.1119.2172.3172.80000109.8V23 C24 Q25 D26 A37 C38C21-V23 PolarHBondContact O-N 3.32Å; C21-V23 PolarHBondContact SG-N 2.88Å; C21-C24 PolarHBondContact O-N 3.33Å; C21-Q25 WeakPolarHBondContact O-CA 3.29Å; C21-Q25 PolarHBondContact O-N 3.37Å; C21-D26 WeakPolarHBondContact CA-O 3.5Å; C21-D26 WeakPolarHBondContact CB-O 3.5Å; C21-D26 PolarHBondContact N-O 3.25Å; C21-A37 VanDerWaalsContact SG-CA 3.57Å; C21-C38 HydrophobicContact CB-CB 4.02Å; C21-C38 PolarHBondContact SG-N 3.29Å
22K98.1Very high89.5Confident118 Ų11873.1 Ų73.151%0.51337%0.372SS..THydrogen-bonded Turntrans-57.1-19.9179.2-67.1-165.2173.8-167.60114.4P20 I35 F36 V89P20-K22 PolarHBondContact O-N 3.27Å; K22-I35 HydrophobicContact CB-CD1 3.97Å; K22-I35 HydrophobicContact CD-CB 4.46Å; K22-F36 PolarHBondContact N-O 3.06Å; K22-V89 HydrophobicContact CB-CB 4.19Å; K22-V89 HydrophobicContact CB-CG1 4.36Å; K22-V89 HydrophobicContact CB-CG2 4.31Å
23V98.6Very high91.7Very high0 Ų066.6 Ų66.60%034%0.343CS..THydrogen-bonded Turntrans-86.1-49.7179.1-1770000112.4C21 I35 C41 I70 R82 K85 V89 M91C21-V23 PolarHBondContact O-N 3.32Å; C21-V23 PolarHBondContact SG-N 2.88Å; V23-I35 HydrophobicContact CG2-CD1 4.17Å; V23-C41 HydrophobicContact CB-CB 4.17Å; V23-C41 HydrophobicContact CG1-CB 4.37Å; V23-C41 HydrophobicContact CG2-CB 4.34Å; V23-I70 HydrophobicContact CG1-CG2 3.96Å; V23-I70 WeakPolarHBondContact O-CG2 3.48Å; V23-R82 HydrophobicContact CG1-CG 4.41Å; V23-K85 HydrophobicContact CG1-CB 4.4Å; V23-K85 HydrophobicContact CG1-CD 4.37Å; V23-K85 HydrophobicContact CG1-CG 4.29Å; V23-K85 WeakPolarHBondContact O-CD 2.97Å; V23-K85 WeakPolarHBondContact O-CE 3.4Å; V23-K85 PolarHBondContact O-NZ 2.95Å; V23-V89 HydrophobicContact CG2-CG2 3.7Å; V23-M91 HydrophobicContact CG2-CE 3.89Å; V23-M91 HydrophobicContact CG2-SD 4.5Å
24C98.3Very high93.4Very high0 Ų066.1 Ų66.10%034%0.338CS..THydrogen-bonded Turntrans-130.37.8-168.7750000114.8C21 D26 C38 C41 I70 D71 K72 R75C21-C24 PolarHBondContact O-N 3.33Å; C24-D26 PolarHBondContact O-N 3.29Å; C24-D26 VanDerWaalsContact SG-CB 3.5Å; C24-C38 VanDerWaalsContact SG-SG 3.61Å; C24-C41 VanDerWaalsContact SG-SG 3.66Å; C24-I70 HydrophobicContact CB-CG2 4.16Å; C24-D71 CarbonylContact O-C 3.5Å; C24-D71 VanDerWaalsContact O-C 3.28Å; C24-D71 WeakPolarHBondContact O-CA 3.34Å; C24-K72 PolarHBondContact O-N 3.24Å; C24-R75 HydrophobicContact CB-CB 4.13Å; C24-R75 PolarHBondContact SG-NH1 2.83Å
25Q97.5Very high94.5Very high127 Ų12759.1 Ų59.159%0.59331%0.312SS*.SBendtrans59.911.9-179.3-52.8-62.8-6.300115.8C21C21-Q25 WeakPolarHBondContact O-CA 3.29Å; C21-Q25 PolarHBondContact O-N 3.37Å
26D96.9Very high95.3Very high23 Ų2358.1 Ų58.112%0.12331%0.305CS..SBendtrans-76.3163.9169.5-165.513.6000110.2C21 C24 S28 C38 K72 R75C21-D26 WeakPolarHBondContact CA-O 3.5Å; C21-D26 WeakPolarHBondContact CB-O 3.5Å; C21-D26 PolarHBondContact N-O 3.25Å; C24-D26 PolarHBondContact O-N 3.29Å; C24-D26 VanDerWaalsContact SG-CB 3.5Å; D26-S28 PolarHBondContact O-N 2.95Å; D26-C38 HydrophobicContact CB-CB 4.17Å; D26-K72 HydrophobicContact CB-CB 4.21Å; D26-K72 HydrophobicContact CB-CD 4.22Å; D26-K72 HydrophobicContact CB-CG 4.02Å; D26-K72 VanDerWaalsContact OD1-CD 3.31Å; D26-K72 WeakPolarHBondContact OD1-CD 3.33Å; D26-K72 WeakPolarHBondContact OD1-CE 3.3Å; D26-K72 IonicContact OD1-NZ 3.49Å; D26-K72 PolarHBondContact OD1-NZ 2.79Å; D26-R75 IonicContact OD2-CZ 3.73Å; D26-R75 IonicContact OD2-NH1 2.87Å; D26-R75 PolarHBondContact OD2-NH1 2.87Å; D26-R75 IonicContact OD2-NH2 3.33Å; D26-R75 PolarHBondContact OD2-NH2 2.59Å
27H96.2Very high96Very high80 Ų8055 Ų5537%0.3729%0.288SS..EExtended strand (participates in β ladder)trans-60.6130.7-178.4-54.998.7000111.7I15 L17 C38I15-H27 HydrophobicContact CG2-CB 3.39Å; L17-H27 PolarHBondContact O-CD2 3.47Å; H27-C38 WeakPolarHBondContact O-CB 3.44Å
28S96.2Very high96.7Very high0 Ų049.5 Ų49.50%026%0.26CS..EExtended strand (participates in β ladder)trans-72.1144.9176.8-176.80000110.5L16 I19 D26 G30 A37L16-S28 PolarHBondContact N-O 3.31Å; I19-S28 WeakPolarHBondContact O-CA 3.37Å; I19-S28 WeakPolarHBondContact O-CB 3.46Å; I19-S28 PolarHBondContact O-N 3.47Å; D26-S28 PolarHBondContact O-N 2.95Å; S28-G30 PolarHBondContact OG-N 2.83Å; S28-G30 VanDerWaalsContact OG-N 3.11Å; S28-G30 PolarHBondContact OG-O 3.37Å; S28-A37 VanDerWaalsContact CA-O 3.31Å; S28-A37 WeakPolarHBondContact CA-O 3.49Å; S28-A37 PolarHBondContact OG-N 3.36Å; S28-A37 VanDerWaalsContact OG-N 3.12Å; S28-A37 PolarHBondContact OG-O 2.86Å
29S94.7Very high97Very high14 Ų1446.5 Ų46.510%0.09824%0.244CC..  trans-100.714.8169.254.20000112.6R14 H32 A37 D39R14-S29 CarbonylContact O-C 3.58Å; R14-S29 WeakPolarHBondContact O-CA 3.31Å; S29-H32 PolarHBondContact OG-NE2 3.22Å; S29-A37 PolarHBondContact N-O 2.71Å; S29-D39 WeakPolarHBondContact CB-OD1 3.37Å; S29-D39 VanDerWaalsContact OG-CG 3.22Å; S29-D39 PolarHBondContact OG-N 2.94Å; S29-D39 PolarHBondContact OG-OD1 2.63Å
30G94.1Very high97.1Very high14 Ų1445.2 Ų45.214%0.14424%0.244CC..SBendtrans118.5-167.6-176.100000113.7S28 H32 F36 A37S28-G30 PolarHBondContact OG-N 2.83Å; S28-G30 VanDerWaalsContact OG-N 3.11Å; S28-G30 PolarHBondContact OG-O 3.37Å; G30-H32 PolarHBondContact O-CD2 2.96Å; G30-H32 PolarHBondContact O-N 3.32Å; G30-F36 WeakPolarHBondContact O-CA 3.07Å; G30-A37 PolarHBondContact O-N 2.8Å
31K96.3Very high97.2Very high156 Ų15642 Ų4268%0.67822%0.223SC*.EExtended strand (participates in β ladder)trans-78.7117.4178-69.5-173.9180-179.90110.6I35 F36K31-I35 CarbonylContact C-O 3.59Å; K31-I35 VanDerWaalsContact CA-O 3.29Å; K31-I35 WeakPolarHBondContact CA-O 3.2Å; K31-F36 HydrophobicContact CG-CD1 4.07Å; K31-F36 HydrophobicContact CG-CE1 3.82Å; K31-F36 HydrophobicContact CG-CE2 4.47Å; K31-F36 HydrophobicContact CG-CZ 4.04Å
32H97.6Very high97.2Very high44 Ų4442.2 Ų42.220%0.20423%0.225CC..EExtended strand (participates in β ladder)trans-121.4120.4173.9-63.9-84000109.4S29 G30 G34 I35 A37 D39 A42S29-H32 PolarHBondContact OG-NE2 3.22Å; G30-H32 PolarHBondContact O-CD2 2.96Å; G30-H32 PolarHBondContact O-N 3.32Å; H32-G34 PolarHBondContact O-N 3.12Å; H32-I35 PolarHBondContact N-O 2.87Å; H32-I35 PolarHBondContact O-N 3.01Å; H32-A37 HydrophobicContact CB-CB 4.3Å; H32-A37 PolarHBondContact CD2-O 3.24Å; H32-D39 IonicContact CE1-OD1 3.78Å; H32-D39 IonicContact NE2-OD1 3.71Å; H32-A42 HydrophobicContact CB-CB 3.55Å
33Y97.9Very high97.2Very high42 Ų4237.2 Ų37.217%0.16521%0.207CC..THydrogen-bonded Turntrans5339.5-179.6-41.8-72.2000113.1A42 F45 K46 M91 N92 A95 V96Y33-A42 HydrophobicContact CE2-CB 4.04Å; Y33-A42 WeakPolarHBondContact CE2-O 3.49Å; Y33-F45 HydrophobicContact CD1-CD1 4.38Å; Y33-F45 HydrophobicContact CD1-CE1 4.48Å; Y33-F45 AromaticContact CD2-CD1 3.61Å; Y33-F45 HydrophobicContact CD2-CD1 3.61Å; Y33-F45 HydrophobicContact CD2-CE1 4.28Å; Y33-F45 HydrophobicContact CD2-CG 4.45Å; Y33-F45 HydrophobicContact CE2-CD1 4.09Å; Y33-F45 AromaticContact CG-CD1 3.79Å; Y33-F45 HydrophobicContact CG-CD1 3.79Å; Y33-F45 HydrophobicContact CG-CE1 4.01Å; Y33-K46 WeakPolarHBondContact OH-CB 3.5Å; Y33-K46 VanDerWaalsContact OH-CD 3.3Å; Y33-K46 WeakPolarHBondContact OH-CD 3.4Å; Y33-M91 WeakPolarHBondContact O-CA 3.01Å; Y33-N92 PolarHBondContact O-N 3.18Å; Y33-A95 HydrophobicContact CD1-CB 4.08Å; Y33-V96 HydrophobicContact CD1-CG2 3.78Å; Y33-V96 HydrophobicContact CE1-CG2 3.75Å
34G96.9Very high97.2Very high63 Ų6337.8 Ų37.865%0.64921%0.209SC*.THydrogen-bonded Turntrans97.8-14175.300000115.8H32H32-G34 PolarHBondContact O-N 3.12Å
35I97.8Very high97.2Very high13 Ų1337.8 Ų37.87%0.06721%0.209CC..EExtended strand (participates in β ladder)trans-129.1159.9-17766149000113.4K22 V23 K31 H32 A37 V89 M91K22-I35 HydrophobicContact CB-CD1 3.97Å; K22-I35 HydrophobicContact CD-CB 4.46Å; V23-I35 HydrophobicContact CG2-CD1 4.17Å; K31-I35 CarbonylContact C-O 3.59Å; K31-I35 VanDerWaalsContact CA-O 3.29Å; K31-I35 WeakPolarHBondContact CA-O 3.2Å; H32-I35 PolarHBondContact N-O 2.87Å; H32-I35 PolarHBondContact O-N 3.01Å; I35-A37 HydrophobicContact CD1-CB 4.3Å; I35-A37 HydrophobicContact CG1-CB 4.4Å; I35-A37 PolarHBondContact O-N 3.31Å; I35-V89 HydrophobicContact CD1-CB 4.36Å; I35-V89 HydrophobicContact CD1-CG2 3.35Å; I35-V89 WeakPolarHBondContact CG2-O 3.21Å; I35-M91 HydrophobicContact CD1-CE 3.7Å; I35-M91 HydrophobicContact CD1-CG 3.73Å; I35-M91 HydrophobicContact CG1-CE 3.96Å; I35-M91 HydrophobicContact CG1-CG 3.71Å
36F98Very high97.2Very high64 Ų6435.1 Ų35.128%0.28120%0.196SC..EExtended strand (participates in β ladder)trans-69.2114.3167.1-69.4-72.9000110.6L16 I19 K22 G30 K31L16-F36 HydrophobicContact CD1-CD1 4.26Å; L16-F36 HydrophobicContact CD1-CE1 4.15Å; I19-F36 HydrophobicContact CD1-CE1 4.11Å; I19-F36 HydrophobicContact CD1-CZ 4.3Å; I19-F36 HydrophobicContact CG2-CB 3.65Å; I19-F36 HydrophobicContact CG2-CD1 3.69Å; I19-F36 HydrophobicContact CG2-CD2 4.02Å; I19-F36 HydrophobicContact CG2-CE1 4.3Å; I19-F36 HydrophobicContact CG2-CG 3.52Å; K22-F36 PolarHBondContact N-O 3.06Å; G30-F36 WeakPolarHBondContact O-CA 3.07Å; K31-F36 HydrophobicContact CG-CD1 4.07Å; K31-F36 HydrophobicContact CG-CE1 3.82Å; K31-F36 HydrophobicContact CG-CE2 4.47Å; K31-F36 HydrophobicContact CG-CZ 4.04Å
37A98Very high97.3Very high0 Ų040.7 Ų40.70%022%0.215CC..  trans-138.4160.9179.300000112C21 S28 S29 G30 H32 I35 M91C21-A37 VanDerWaalsContact SG-CA 3.57Å; S28-A37 VanDerWaalsContact CA-O 3.31Å; S28-A37 WeakPolarHBondContact CA-O 3.49Å; S28-A37 PolarHBondContact OG-N 3.36Å; S28-A37 VanDerWaalsContact OG-N 3.12Å; S28-A37 PolarHBondContact OG-O 2.86Å; S29-A37 PolarHBondContact N-O 2.71Å; G30-A37 PolarHBondContact O-N 2.8Å; H32-A37 HydrophobicContact CB-CB 4.3Å; H32-A37 PolarHBondContact CD2-O 3.24Å; I35-A37 HydrophobicContact CD1-CB 4.3Å; I35-A37 HydrophobicContact CG1-CB 4.4Å; I35-A37 PolarHBondContact O-N 3.31Å; A37-M91 HydrophobicContact CB-CE 3.35Å
38C97.9Very high97.3Very high3 Ų337 Ų372%0.0220%0.198CC..  trans-81159.1169.565.90000110.4C21 C24 D26 H27 G40 C41 A42 R75C21-C38 HydrophobicContact CB-CB 4.02Å; C21-C38 PolarHBondContact SG-N 3.29Å; C24-C38 VanDerWaalsContact SG-SG 3.61Å; D26-C38 HydrophobicContact CB-CB 4.17Å; H27-C38 WeakPolarHBondContact O-CB 3.44Å; C38-G40 PolarHBondContact O-N 2.82Å; C38-G40 VanDerWaalsContact O-N 3.13Å; C38-C41 PolarHBondContact O-N 3.28Å; C38-C41 VanDerWaalsContact O-N 3.15Å; C38-C41 PolarHBondContact SG-N 2.99Å; C38-C41 VanDerWaalsContact SG-N 3.37Å; C38-C41 VanDerWaalsContact SG-SG 3.66Å; C38-A42 WeakPolarHBondContact O-CB 3.2Å; C38-A42 PolarHBondContact O-N 2.87Å; C38-R75 PolarHBondContact SG-NH1 3.25Å
39D96.6Very high97.4Very high95 Ų9539.2 Ų39.251%0.50821%0.21SC..Hα-helixtrans-55.9-32.8176.4-73.5-26.9000112.6S29 H32 G43S29-D39 WeakPolarHBondContact CB-OD1 3.37Å; S29-D39 VanDerWaalsContact OG-CG 3.22Å; S29-D39 PolarHBondContact OG-N 2.94Å; S29-D39 PolarHBondContact OG-OD1 2.63Å; H32-D39 IonicContact CE1-OD1 3.78Å; H32-D39 IonicContact NE2-OD1 3.71Å; D39-G43 PolarHBondContact O-N 3.11Å
40G97.6Very high97.4Very high27 Ų2742.7 Ų42.728%0.27822%0.221SC..Hα-helixtrans-62.5-48177.900000113C38 F44 R82C38-G40 PolarHBondContact O-N 2.82Å; C38-G40 VanDerWaalsContact O-N 3.13Å; G40-F44 VanDerWaalsContact O-CB 3.29Å; G40-F44 WeakPolarHBondContact O-CB 3.32Å; G40-F44 PolarHBondContact O-N 3.04Å; G40-F44 VanDerWaalsContact O-N 3.08Å; G40-R82 VanDerWaalsContact C-NH2 3.26Å; G40-R82 PolarHBondContact O-NH2 3.26Å
41C98.7Very high97.3Very high0 Ų049.2 Ų49.20%024%0.241CC..Hα-helixtrans-75.9-37.2179.3-69.50000111.9V23 C24 C38 F44 F45 R82 M91V23-C41 HydrophobicContact CB-CB 4.17Å; V23-C41 HydrophobicContact CG1-CB 4.37Å; V23-C41 HydrophobicContact CG2-CB 4.34Å; C24-C41 VanDerWaalsContact SG-SG 3.66Å; C38-C41 PolarHBondContact O-N 3.28Å; C38-C41 VanDerWaalsContact O-N 3.15Å; C38-C41 PolarHBondContact SG-N 2.99Å; C38-C41 VanDerWaalsContact SG-N 3.37Å; C38-C41 VanDerWaalsContact SG-SG 3.66Å; C41-F44 PolarHBondContact O-N 3.11Å; C41-F45 WeakPolarHBondContact O-CB 3.23Å; C41-F45 PolarHBondContact O-N 2.86Å; C41-R82 PolarHBondContact SG-NH2 3.14Å; C41-M91 HydrophobicContact CB-CE 4.3Å
42A98.2Very high97.3Very high4 Ų448 Ų483%0.03324%0.242CC..Hα-helixtrans-60.7-47.6174.100000111.8H32 Y33 C38 K46H32-A42 HydrophobicContact CB-CB 3.55Å; Y33-A42 HydrophobicContact CE2-CB 4.04Å; Y33-A42 WeakPolarHBondContact CE2-O 3.49Å; C38-A42 WeakPolarHBondContact O-CB 3.2Å; C38-A42 PolarHBondContact O-N 2.87Å; A42-K46 WeakPolarHBondContact O-CB 3.47Å; A42-K46 PolarHBondContact O-N 2.93Å; A42-K46 VanDerWaalsContact O-N 3.1Å
43G97.7Very high97.2Very high13 Ų1351.5 Ų51.513%0.13425%0.253CS..Hα-helixtrans-65.1-38.517700000112.8D39 R47D39-G43 PolarHBondContact O-N 3.11Å; G43-R47 WeakPolarHBondContact O-CG 3.49Å; G43-R47 VanDerWaalsContact O-CZ 3.3Å; G43-R47 PolarHBondContact O-N 3.48Å; G43-R47 PolarHBondContact O-NH1 2.82Å
44F98.7Very high97.2Very high12 Ų1258.1 Ų58.15%0.05329%0.285CS..Hα-helixtrans-61-55.7174.8171.2-100.2000111.4G40 C41 K46 R47 S48 Y55 R79 R82 L83G40-F44 VanDerWaalsContact O-CB 3.29Å; G40-F44 WeakPolarHBondContact O-CB 3.32Å; G40-F44 PolarHBondContact O-N 3.04Å; G40-F44 VanDerWaalsContact O-N 3.08Å; C41-F44 PolarHBondContact O-N 3.11Å; F44-K46 VanDerWaalsContact C-N 3.33Å; F44-K46 PolarHBondContact O-N 3.14Å; F44-R47 PolarHBondContact O-N 3.47Å; F44-R47 VanDerWaalsContact O-N 3.11Å; F44-S48 PolarHBondContact O-N 3.13Å; F44-S48 PolarHBondContact O-OG 3.2Å; F44-S48 VanDerWaalsContact O-OG 3.05Å; F44-Y55 HydrophobicContact CE2-CE2 4.03Å; F44-Y55 HydrophobicContact CZ-CD2 4.37Å; F44-Y55 AromaticContact CZ-CE2 3.79Å; F44-Y55 HydrophobicContact CZ-CE2 3.79Å; F44-R79 HydrophobicContact CE2-CB 4.12Å; F44-R79 HydrophobicContact CE2-CG 4.17Å; F44-R79 HydrophobicContact CZ-CB 4.18Å; F44-R79 WeakPolarHBondContact CZ-O 3.21Å; F44-R82 VanDerWaalsContact CD1-CD 3.43Å; F44-R82 HydrophobicContact CD1-CG 3.92Å; F44-R82 HydrophobicContact CE1-CB 3.88Å; F44-R82 HydrophobicContact CE1-CG 3.73Å; F44-R82 HydrophobicContact CZ-CB 4.1Å; F44-R82 HydrophobicContact CZ-CG 4.32Å; F44-L83 HydrophobicContact CE1-CB 3.82Å; F44-L83 HydrophobicContact CE1-CD1 4.33Å; F44-L83 HydrophobicContact CZ-CB 3.99Å
45F98.7Very high97.2Very high0 Ų057.8 Ų57.80%027%0.265CS..Hα-helixtrans-53.5-49.6179.8-175.2-103.9000111.9Y33 C41 R47 S48 I49 L83 C86 L87 M91 N92 K93 V96Y33-F45 HydrophobicContact CD1-CD1 4.38Å; Y33-F45 HydrophobicContact CD1-CE1 4.48Å; Y33-F45 AromaticContact CD2-CD1 3.61Å; Y33-F45 HydrophobicContact CD2-CD1 3.61Å; Y33-F45 HydrophobicContact CD2-CE1 4.28Å; Y33-F45 HydrophobicContact CD2-CG 4.45Å; Y33-F45 HydrophobicContact CE2-CD1 4.09Å; Y33-F45 AromaticContact CG-CD1 3.79Å; Y33-F45 HydrophobicContact CG-CD1 3.79Å; Y33-F45 HydrophobicContact CG-CE1 4.01Å; C41-F45 WeakPolarHBondContact O-CB 3.23Å; C41-F45 PolarHBondContact O-N 2.86Å; F45-R47 PolarHBondContact O-N 3.47Å; F45-S48 PolarHBondContact O-N 2.63Å; F45-S48 VanDerWaalsContact O-N 3.13Å; F45-I49 HydrophobicContact CD1-CG1 4.19Å; F45-I49 HydrophobicContact CD2-CG1 4.24Å; F45-I49 HydrophobicContact CE1-CG1 3.86Å; F45-I49 HydrophobicContact CE2-CD1 4.02Å; F45-I49 HydrophobicContact CE2-CG1 3.93Å; F45-I49 HydrophobicContact CG-CG1 4.38Å; F45-I49 HydrophobicContact CZ-CD1 4.07Å; F45-I49 HydrophobicContact CZ-CG1 3.73Å; F45-I49 WeakPolarHBondContact O-CG1 3.32Å; F45-I49 PolarHBondContact O-N 2.97Å; F45-L83 HydrophobicContact CD2-CD1 3.95Å; F45-L83 HydrophobicContact CE2-CD1 4.32Å; F45-C86 HydrophobicContact CD2-CB 3.59Å; F45-C86 HydrophobicContact CE2-CB 4.14Å; F45-C86 HydrophobicContact CG-CB 4.48Å; F45-L87 HydrophobicContact CE2-CD2 3.76Å; F45-L87 HydrophobicContact CE2-CG 4.28Å; F45-L87 HydrophobicContact CZ-CD2 4.19Å; F45-M91 HydrophobicContact CB-SD 3.61Å; F45-M91 HydrophobicContact CD1-CB 4.11Å; F45-M91 HydrophobicContact CD1-SD 4.09Å; F45-M91 HydrophobicContact CD2-CB 3.9Å; F45-M91 HydrophobicContact CD2-CG 4.47Å; F45-M91 HydrophobicContact CD2-SD 3.8Å; F45-M91 HydrophobicContact CE1-CB 3.82Å; F45-M91 HydrophobicContact CE2-CB 3.6Å; F45-M91 HydrophobicContact CE2-SD 4.48Å; F45-M91 HydrophobicContact CG-CB 4.14Å; F45-M91 HydrophobicContact CG-CG 4.5Å; F45-M91 HydrophobicContact CG-SD 3.57Å; F45-M91 VanDerWaalsContact CG-SD 3.57Å; F45-M91 HydrophobicContact CZ-CB 3.55Å; F45-M91 WeakPolarHBondContact CZ-O 3.34Å; F45-N92 WeakPolarHBondContact CE1-O 3.42Å; F45-K93 HydrophobicContact CZ-CB 4.15Å; F45-V96 HydrophobicContact CD1-CG2 3.93Å; F45-V96 HydrophobicContact CE1-CG2 3.7Å
46K97.9Very high97.1Very high70 Ų7061.7 Ų61.730%0.30429%0.289SS..Hα-helixtrans-53.4-47.4176.6-168.5177.468.7-1720113.4Y33 A42 F44 S48 R50 V96Y33-K46 WeakPolarHBondContact OH-CB 3.5Å; Y33-K46 VanDerWaalsContact OH-CD 3.3Å; Y33-K46 WeakPolarHBondContact OH-CD 3.4Å; A42-K46 WeakPolarHBondContact O-CB 3.47Å; A42-K46 PolarHBondContact O-N 2.93Å; A42-K46 VanDerWaalsContact O-N 3.1Å; F44-K46 VanDerWaalsContact C-N 3.33Å; F44-K46 PolarHBondContact O-N 3.14Å; K46-S48 VanDerWaalsContact C-N 3.34Å; K46-R50 WeakPolarHBondContact O-CB 3.48Å; K46-R50 VanDerWaalsContact O-CG 3.3Å; K46-R50 WeakPolarHBondContact O-CG 3.32Å; K46-R50 PolarHBondContact O-N 3.11Å; K46-R50 VanDerWaalsContact O-N 3.11Å; K46-V96 HydrophobicContact CG-CG1 4.13Å
47R97.1Very high97.1Very high141 Ų14159 Ų5953%0.53228%0.278SS..Hα-helixtrans-68.6-35.7-179.4-73.1-174.8-61.2-94.50.9111.9G43 F44 F45 R51G43-R47 WeakPolarHBondContact O-CG 3.49Å; G43-R47 VanDerWaalsContact O-CZ 3.3Å; G43-R47 PolarHBondContact O-N 3.48Å; G43-R47 PolarHBondContact O-NH1 2.82Å; F44-R47 PolarHBondContact O-N 3.47Å; F44-R47 VanDerWaalsContact O-N 3.11Å; F45-R47 PolarHBondContact O-N 3.47Å; R47-R51 PolarHBondContact O-N 2.75Å
48S98Very high97Very high1 Ų166.6 Ų66.61%0.00731%0.311CS..Hα-helixtrans-69.8-48-180-57.50000111.6F44 F45 K46 N52 R53 Y55F44-S48 PolarHBondContact O-N 3.13Å; F44-S48 PolarHBondContact O-OG 3.2Å; F44-S48 VanDerWaalsContact O-OG 3.05Å; F45-S48 PolarHBondContact O-N 2.63Å; F45-S48 VanDerWaalsContact O-N 3.13Å; K46-S48 VanDerWaalsContact C-N 3.34Å; S48-N52 PolarHBondContact O-N 2.81Å; S48-R53 PolarHBondContact O-N 3.22Å; S48-Y55 VanDerWaalsContact OG-CE2 3.28Å; S48-Y55 WeakPolarHBondContact OG-CE2 3.31Å; S48-Y55 PolarHBondContact OG-OH 3.4Å
49I97.5Very high96.8Very high48 Ų4867.1 Ų67.125%0.24632%0.316CS..Hα-helixtrans-65.7-47.9178.8-60.1-54.1000111.3F45 R51 N52 K93 V96F45-I49 HydrophobicContact CD1-CG1 4.19Å; F45-I49 HydrophobicContact CD2-CG1 4.24Å; F45-I49 HydrophobicContact CE1-CG1 3.86Å; F45-I49 HydrophobicContact CE2-CD1 4.02Å; F45-I49 HydrophobicContact CE2-CG1 3.93Å; F45-I49 HydrophobicContact CG-CG1 4.38Å; F45-I49 HydrophobicContact CZ-CD1 4.07Å; F45-I49 HydrophobicContact CZ-CG1 3.73Å; F45-I49 WeakPolarHBondContact O-CG1 3.32Å; F45-I49 PolarHBondContact O-N 2.97Å; I49-R51 VanDerWaalsContact C-N 3.26Å; I49-R51 PolarHBondContact O-N 3.33Å; I49-N52 PolarHBondContact O-N 3.43Å; I49-K93 HydrophobicContact CD1-CB 3.96Å; I49-K93 HydrophobicContact CG1-CB 4.23Å; I49-K93 HydrophobicContact CG2-CB 4.21Å; I49-V96 HydrophobicContact CB-CB 4.38Å; I49-V96 HydrophobicContact CB-CG1 4.33Å; I49-V96 HydrophobicContact CB-CG2 4.09Å; I49-V96 HydrophobicContact CG1-CG2 4.27Å; I49-V96 HydrophobicContact CG2-CB 4.02Å; I49-V96 HydrophobicContact CG2-CG1 4.25Å; I49-V96 HydrophobicContact CG2-CG2 4.12Å
50R93.7Very high96.6Very high87 Ų8770.6 Ų70.633%0.32832%0.322SS..Hα-helixtrans-58.7-35.3-177.8-79.6-173.5-179.9145.43.8115K46 V96 Q97K46-R50 WeakPolarHBondContact O-CB 3.48Å; K46-R50 VanDerWaalsContact O-CG 3.3Å; K46-R50 WeakPolarHBondContact O-CG 3.32Å; K46-R50 PolarHBondContact O-N 3.11Å; K46-R50 VanDerWaalsContact O-N 3.11Å; R50-V96 HydrophobicContact CG-CG1 3.68Å; R50-Q97 PolarHBondContact NE-O 3.32Å; R50-Q97 PolarHBondContact NH2-O 3.03Å
51R93.7Very high96.4Very high151 Ų15173.1 Ų73.157%0.5735%0.348SS*.THydrogen-bonded Turntrans-101.716.2-178.8-61.1-174.3-178.4-175.22.7112.1R47 I49 R53R47-R51 PolarHBondContact O-N 2.75Å; I49-R51 VanDerWaalsContact C-N 3.26Å; I49-R51 PolarHBondContact O-N 3.33Å; R51-R53 HydrophobicContact CB-CG 3.89Å; R51-R53 PolarHBondContact O-N 3.27Å
52N95.1Very high95.9Very high130 Ų13076.7 Ų76.770%0.69537%0.373SS*.THydrogen-bonded Turntrans39.249.6-176.1-164.328.4000112.7S48 I49 Q54S48-N52 PolarHBondContact O-N 2.81Å; I49-N52 PolarHBondContact O-N 3.43Å; N52-Q54 PolarHBondContact O-N 2.78Å
53R96.6Very high95.4Very high118 Ų11880.5 Ų80.545%0.44541%0.412SS..  trans-73.6118.9-170.2-65.3-59.9-162.1-174.94.4110.3S48 R51 Y55S48-R53 PolarHBondContact O-N 3.22Å; R51-R53 HydrophobicContact CB-CG 3.89Å; R51-R53 PolarHBondContact O-N 3.27Å; R53-Y55 HydrophobicContact CB-CD1 4.49Å; R53-Y55 HydrophobicContact CB-CD2 4.5Å; R53-Y55 HydrophobicContact CB-CE1 3.84Å; R53-Y55 HydrophobicContact CB-CE2 3.87Å; R53-Y55 VanDerWaalsContact CB-CZ 3.48Å; R53-Y55 HydrophobicContact CG-CE1 4.35Å
54Q96.1Very high95.1Very high180 Ų18086.3 Ų86.384%0.84144%0.436SS*.  trans-91.4115.3167.2-61.3-1781.700108.8N52N52-Q54 PolarHBondContact O-N 2.78Å
55Y97.9Very high94.7Very high56 Ų5691.3 Ų91.322%0.2246%0.459CS..  trans-106.3137.4178.7-59.4-61.1000110.9F44 S48 R53 R79 S80 L83F44-Y55 HydrophobicContact CE2-CE2 4.03Å; F44-Y55 HydrophobicContact CZ-CD2 4.37Å; F44-Y55 AromaticContact CZ-CE2 3.79Å; F44-Y55 HydrophobicContact CZ-CE2 3.79Å; S48-Y55 VanDerWaalsContact OG-CE2 3.28Å; S48-Y55 WeakPolarHBondContact OG-CE2 3.31Å; S48-Y55 PolarHBondContact OG-OH 3.4Å; R53-Y55 HydrophobicContact CB-CD1 4.49Å; R53-Y55 HydrophobicContact CB-CD2 4.5Å; R53-Y55 HydrophobicContact CB-CE1 3.84Å; R53-Y55 HydrophobicContact CB-CE2 3.87Å; R53-Y55 VanDerWaalsContact CB-CZ 3.48Å; R53-Y55 HydrophobicContact CG-CE1 4.35Å; Y55-R79 HydrophobicContact CD1-CB 3.84Å; Y55-R79 HydrophobicContact CD2-CB 3.89Å; Y55-R79 HydrophobicContact CE1-CB 4.14Å; Y55-R79 HydrophobicContact CE2-CB 4.17Å; Y55-R79 HydrophobicContact CG-CB 3.71Å; Y55-S80 WeakPolarHBondContact O-CB 3.36Å; Y55-S80 PolarHBondContact O-OG 3.48Å; Y55-L83 HydrophobicContact CD2-CB 4.2Å; Y55-L83 HydrophobicContact CD2-CD2 3.86Å; Y55-L83 HydrophobicContact CE2-CB 4.46Å; Y55-L83 HydrophobicContact CE2-CD2 4Å
56V96.4Very high94.5Very high96 Ų9693.4 Ų93.458%0.58248%0.481SS*.  trans-89.6140.8171.8-176.10000109.8R60V56-R60 HydrophobicContact CG1-CB 4.32Å; V56-R60 VanDerWaalsContact CG1-CD 3.42Å
57C97.7Very high94.3Very high7 Ų793.6 Ų93.65%0.04750%0.496CS..  trans-65.9142.5177.1-173.90000111.4A59 R60 E65 C68C57-A59 VanDerWaalsContact C-N 3.34Å; C57-A59 PolarHBondContact SG-N 2.7Å; C57-A59 VanDerWaalsContact SG-N 3.44Å; C57-R60 WeakPolarHBondContact O-CB 2.92Å; C57-R60 PolarHBondContact O-N 3.15Å; C57-E65 HydrophobicContact CB-CG 3.88Å; C57-C68 VanDerWaalsContact SG-SG 3.68Å
58K95.2Very high94.3Very high159 Ų15988.5 Ų88.569%0.69148%0.481SS*.THydrogen-bonded Turntrans-66.1-36.2174.7-177.4-175.2173.8-171.60112.2R60 C78K58-R60 PolarHBondContact O-N 2.82Å; K58-C78 HydrophobicContact CB-CB 4.46Å
59A94.9Very high94.3Very high15 Ų1593 Ų9312%0.12451%0.509CS..THydrogen-bonded Turntrans-84.918.2179.800000113.1C57 G61 S62 Q64C57-A59 VanDerWaalsContact C-N 3.34Å; C57-A59 PolarHBondContact SG-N 2.7Å; C57-A59 VanDerWaalsContact SG-N 3.44Å; A59-G61 PolarHBondContact O-N 3.31Å; A59-S62 PolarHBondContact O-N 3.32Å; A59-S62 VanDerWaalsContact O-N 3.14Å; A59-S62 PolarHBondContact O-OG 2.91Å; A59-S62 VanDerWaalsContact O-OG 3.05Å; A59-Q64 HydrophobicContact CB-CB 4.32Å; A59-Q64 WeakPolarHBondContact CB-O 3.43Å
60R92.3Very high94.3Very high168 Ų16891.3 Ų91.363%0.63450%0.5SS*.THydrogen-bonded Turntrans-60.8126.7177.6-177174-177.7-168.42.7109.2V56 C57 K58V56-R60 HydrophobicContact CG1-CB 4.32Å; V56-R60 VanDerWaalsContact CG1-CD 3.42Å; C57-R60 WeakPolarHBondContact O-CB 2.92Å; C57-R60 PolarHBondContact O-N 3.15Å; K58-R60 PolarHBondContact O-N 2.82Å
61G92.1Very high94.5Very high79 Ų7989.2 Ų89.281%0.81450%0.495SS*.THydrogen-bonded Turntrans84.3-4.7-178.800000115.8A59A59-G61 PolarHBondContact O-N 3.31Å
62S88.7Confident94.6Very high76 Ų7687.3 Ų87.353%0.53149%0.491SS..THydrogen-bonded Turntrans-99.811.6-179.876.70000114.2A59 Q64A59-S62 PolarHBondContact O-N 3.32Å; A59-S62 VanDerWaalsContact O-N 3.14Å; A59-S62 PolarHBondContact O-OG 2.91Å; A59-S62 VanDerWaalsContact O-OG 3.05Å; S62-Q64 PolarHBondContact O-N 3.31Å
63G87.8Confident94.7Very high83 Ų8386 Ų8686%0.85649%0.488SS*.THydrogen-bonded Turntrans74.6-4.8-177.200000115.8
64Q90.4Very high94.7Very high136 Ų13683.9 Ų83.964%0.63648%0.483SS*.  trans-114.527.8-179.5-64.2-175-29.200112.5A59 S62 G66 A67A59-Q64 HydrophobicContact CB-CB 4.32Å; A59-Q64 WeakPolarHBondContact CB-O 3.43Å; S62-Q64 PolarHBondContact O-N 3.31Å; Q64-G66 PolarHBondContact O-N 3.1Å; Q64-A67 PolarHBondContact O-N 3.35Å
65E92.1Very high94.7Very high116 Ų11677.3 Ų77.354%0.54245%0.451SS..THydrogen-bonded Turntrans-62.1136.5179-177.2159.2-160.100111.1C57 A67C57-E65 HydrophobicContact CB-CG 3.88Å; E65-A67 PolarHBondContact O-N 3Å
66G93.3Very high94.7Very high44 Ų4480.1 Ų80.145%0.45447%0.469SS..THydrogen-bonded Turntrans81.5-15.4-17600000115Q64 C81Q64-G66 PolarHBondContact O-N 3.1Å; G66-C81 VanDerWaalsContact CA-SG 3.56Å; G66-C81 PolarHBondContact O-SG 3.33Å; G66-C81 VanDerWaalsContact O-SG 3.36Å
67A94.8Very high94.7Very high74 Ų7480.9 Ų80.961%0.61247%0.467SS*.  trans-97.312.7-173.800000115.3Q64 E65 T69Q64-A67 PolarHBondContact O-N 3.35Å; E65-A67 PolarHBondContact O-N 3Å; A67-T69 PolarHBondContact O-N 3.39Å
68C97Very high94.7Very high34 Ų3480.8 Ų80.823%0.2347%0.466CS..  trans-63.7132.7180-55.60000112.2C57 I70 C78 C81C57-C68 VanDerWaalsContact SG-SG 3.68Å; C68-I70 PolarHBondContact O-N 2.81Å; C68-C78 HydrophobicContact CB-CB 3.55Å; C68-C78 VanDerWaalsContact SG-SG 3.65Å; C68-C81 HydrophobicContact CB-CB 3.85Å
69T96.5Very high94.8Very high96 Ų9680.7 Ų80.759%0.58946%0.461SS*.  trans-60.9129.2179.1-51.90000112.4A67A67-T69 PolarHBondContact O-N 3.39Å
70I98.1Very high95Very high12 Ų1281.4 Ų81.46%0.06247%0.466CS..  trans-119.195.7176-51.6-60.4000109.6V23 C24 C68 R75 C81 R82 K85V23-I70 HydrophobicContact CG1-CG2 3.96Å; V23-I70 WeakPolarHBondContact O-CG2 3.48Å; C24-I70 HydrophobicContact CB-CG2 4.16Å; C68-I70 PolarHBondContact O-N 2.81Å; I70-R75 HydrophobicContact CG2-CB 4.05Å; I70-C81 HydrophobicContact CD1-CB 4.03Å; I70-C81 HydrophobicContact CG1-CB 4.41Å; I70-R82 HydrophobicContact CD1-CB 3.89Å; I70-R82 HydrophobicContact CG2-CG 4.24Å; I70-K85 HydrophobicContact CB-CD 3.65Å; I70-K85 HydrophobicContact CG1-CB 4.5Å; I70-K85 HydrophobicContact CG1-CD 3.97Å; I70-K85 HydrophobicContact CG2-CD 3.94Å; I70-K85 PolarHBondContact O-NZ 2.71Å; I70-K85 VanDerWaalsContact O-NZ 3.09Å
71D97.3Very high95.3Very high43 Ų4373.7 Ų73.723%0.2344%0.437CS..SBendtrans-127.8-175.4174.761.531.1000110.4C24 T73 H74 R75C24-D71 CarbonylContact O-C 3.5Å; C24-D71 VanDerWaalsContact O-C 3.28Å; C24-D71 WeakPolarHBondContact O-CA 3.34Å; D71-T73 PolarHBondContact O-N 3.46Å; D71-T73 PolarHBondContact OD1-N 2.94Å; D71-T73 VanDerWaalsContact OD1-N 3.12Å; D71-T73 PolarHBondContact OD1-OG1 3.44Å; D71-T73 VanDerWaalsContact OD1-OG1 3.08Å; D71-H74 VanDerWaalsContact CG-ND1 3.32Å; D71-H74 WeakPolarHBondContact OD1-CA 3.28Å; D71-H74 WeakPolarHBondContact OD1-CB 3.25Å; D71-H74 IonicContact OD1-CG 2.74Å; D71-H74 PolarHBondContact OD1-N 3.05Å; D71-H74 IonicContact OD1-ND1 2.98Å; D71-H74 PolarHBondContact OD1-ND1 3.38Å; D71-H74 VanDerWaalsContact OD1-ND1 3.13Å; D71-H74 IonicContact OD2-CE1 3.89Å; D71-H74 IonicContact OD2-CG 3.34Å; D71-H74 IonicContact OD2-ND1 2.64Å; D71-H74 PolarHBondContact OD2-ND1 3.19Å; D71-R75 WeakPolarHBondContact O-CA 3.36Å; D71-R75 WeakPolarHBondContact O-CB 3.4Å; D71-R75 WeakPolarHBondContact O-CG 3.37Å; D71-R75 PolarHBondContact O-N 3.13Å
72K96.6Very high95.6Very high111 Ų11170.2 Ų70.248%0.48340%0.4SS..THydrogen-bonded Turntrans-59.5-42-177.2-179.3177179.7172.10113.3C24 D26C24-K72 PolarHBondContact O-N 3.24Å; D26-K72 HydrophobicContact CB-CB 4.21Å; D26-K72 HydrophobicContact CB-CD 4.22Å; D26-K72 HydrophobicContact CB-CG 4.02Å; D26-K72 VanDerWaalsContact OD1-CD 3.31Å; D26-K72 WeakPolarHBondContact OD1-CD 3.33Å; D26-K72 WeakPolarHBondContact OD1-CE 3.3Å; D26-K72 IonicContact OD1-NZ 3.49Å; D26-K72 PolarHBondContact OD1-NZ 2.79Å
73T96.6Very high96.1Very high103 Ų10367.7 Ų67.763%0.63238%0.38SS*.THydrogen-bonded Turntrans-83.5-35.3-17444.80000112.2D71D71-T73 PolarHBondContact O-N 3.46Å; D71-T73 PolarHBondContact OD1-N 2.94Å; D71-T73 VanDerWaalsContact OD1-N 3.12Å; D71-T73 PolarHBondContact OD1-OG1 3.44Å; D71-T73 VanDerWaalsContact OD1-OG1 3.08Å
74H96.6Very high96.6Very high74 Ų7468.1 Ų68.134%0.34336%0.363SS..THydrogen-bonded Turntrans-109.9-3.2-168-48.6125.7000113.7D71 N76 Q77D71-H74 VanDerWaalsContact CG-ND1 3.32Å; D71-H74 WeakPolarHBondContact OD1-CA 3.28Å; D71-H74 WeakPolarHBondContact OD1-CB 3.25Å; D71-H74 IonicContact OD1-CG 2.74Å; D71-H74 PolarHBondContact OD1-N 3.05Å; D71-H74 IonicContact OD1-ND1 2.98Å; D71-H74 PolarHBondContact OD1-ND1 3.38Å; D71-H74 VanDerWaalsContact OD1-ND1 3.13Å; D71-H74 IonicContact OD2-CE1 3.89Å; D71-H74 IonicContact OD2-CG 3.34Å; D71-H74 IonicContact OD2-ND1 2.64Å; D71-H74 PolarHBondContact OD2-ND1 3.19Å; H74-N76 PolarHBondContact O-N 2.98Å; H74-Q77 HydrophobicContact CB-CG 4.23Å; H74-Q77 PolarHBondContact CD2-NE2 3.34Å; H74-Q77 WeakPolarHBondContact O-CB 3.39Å; H74-Q77 WeakPolarHBondContact O-CG 3.32Å; H74-Q77 PolarHBondContact O-N 3.32Å
75R97.1Very high97Very high42 Ų4264.2 Ų64.216%0.15834%0.343CS..THydrogen-bonded Turntrans-51.2-20.9176.158.8-168.7-171.3-166.5-6115.4C24 D26 C38 I70 D71 R82C24-R75 HydrophobicContact CB-CB 4.13Å; C24-R75 PolarHBondContact SG-NH1 2.83Å; D26-R75 IonicContact OD2-CZ 3.73Å; D26-R75 IonicContact OD2-NH1 2.87Å; D26-R75 PolarHBondContact OD2-NH1 2.87Å; D26-R75 IonicContact OD2-NH2 3.33Å; D26-R75 PolarHBondContact OD2-NH2 2.59Å; C38-R75 PolarHBondContact SG-NH1 3.25Å; I70-R75 HydrophobicContact CG2-CB 4.05Å; D71-R75 WeakPolarHBondContact O-CA 3.36Å; D71-R75 WeakPolarHBondContact O-CB 3.4Å; D71-R75 WeakPolarHBondContact O-CG 3.37Å; D71-R75 PolarHBondContact O-N 3.13Å; R75-R82 VanDerWaalsContact O-CD 3.25Å; R75-R82 WeakPolarHBondContact O-CD 3.34Å
76N96.9Very high97.3Very high114 Ų11458.7 Ų58.761%0.6132%0.318SS*.THydrogen-bonded Turntrans-90.9-8179.4-67.4-32.2000114.2H74 R82H74-N76 PolarHBondContact O-N 2.98Å; N76-R82 PolarHBondContact OD1-NH1 3.34Å
77Q96.3Very high97.5Very high113 Ų11360.3 Ų60.353%0.52832%0.315SS..SBendtrans-72.3-34.7-175.1-65.3-176.714.300113.3H74H74-Q77 HydrophobicContact CB-CG 4.23Å; H74-Q77 PolarHBondContact CD2-NE2 3.34Å; H74-Q77 WeakPolarHBondContact O-CB 3.39Å; H74-Q77 WeakPolarHBondContact O-CG 3.32Å; H74-Q77 PolarHBondContact O-N 3.32Å
78C98Very high97.7Very high4 Ų464 Ų643%0.02732%0.32CS..  trans-133103.4177.1-173.10000110.8K58 C68 S80 C81 R82K58-C78 HydrophobicContact CB-CB 4.46Å; C68-C78 HydrophobicContact CB-CB 3.55Å; C68-C78 VanDerWaalsContact SG-SG 3.65Å; C78-S80 VanDerWaalsContact C-N 3.31Å; C78-S80 PolarHBondContact O-N 3.37Å; C78-C81 HydrophobicContact CB-CB 4.09Å; C78-C81 PolarHBondContact SG-N 2.93Å; C78-C81 VanDerWaalsContact SG-SG 3.64Å; C78-R82 WeakPolarHBondContact O-CB 3.32Å; C78-R82 PolarHBondContact O-N 3.16Å
79R98.1Very high97.7Very high157 Ų15764.3 Ų64.359%0.59232%0.321SS*.Hα-helixtrans-66-34.2178.7-63.4179.7-173.6169.51.8112.1F44 Y55 R82 L83F44-R79 HydrophobicContact CE2-CB 4.12Å; F44-R79 HydrophobicContact CE2-CG 4.17Å; F44-R79 HydrophobicContact CZ-CB 4.18Å; F44-R79 WeakPolarHBondContact CZ-O 3.21Å; Y55-R79 HydrophobicContact CD1-CB 3.84Å; Y55-R79 HydrophobicContact CD2-CB 3.89Å; Y55-R79 HydrophobicContact CE1-CB 4.14Å; Y55-R79 HydrophobicContact CE2-CB 4.17Å; Y55-R79 HydrophobicContact CG-CB 3.71Å; R79-R82 PolarHBondContact O-N 3.15Å; R79-L83 WeakPolarHBondContact O-CB 3.4Å; R79-L83 PolarHBondContact O-N 2.83Å
80S98.3Very high97.8Very high31 Ų3161.8 Ų61.822%0.21731%0.314CS..Hα-helixtrans-62.6-58.1178.1-1730000111.3Y55 C78 R82 L83 N84Y55-S80 WeakPolarHBondContact O-CB 3.36Å; Y55-S80 PolarHBondContact O-OG 3.48Å; C78-S80 VanDerWaalsContact C-N 3.31Å; C78-S80 PolarHBondContact O-N 3.37Å; S80-R82 VanDerWaalsContact C-N 3.28Å; S80-R82 PolarHBondContact O-N 3.13Å; S80-L83 PolarHBondContact O-N 3.09Å; S80-L83 VanDerWaalsContact O-N 3.15Å; S80-N84 WeakPolarHBondContact O-CB 3.31Å; S80-N84 PolarHBondContact O-N 3.03Å
81C98.4Very high97.8Very high6 Ų661.5 Ų61.54%0.04131%0.313CS..Hα-helixtrans-59.2-36.7175.9-70.70000112.6G66 C68 I70 C78 K85G66-C81 VanDerWaalsContact CA-SG 3.56Å; G66-C81 PolarHBondContact O-SG 3.33Å; G66-C81 VanDerWaalsContact O-SG 3.36Å; C68-C81 HydrophobicContact CB-CB 3.85Å; I70-C81 HydrophobicContact CD1-CB 4.03Å; I70-C81 HydrophobicContact CG1-CB 4.41Å; C78-C81 HydrophobicContact CB-CB 4.09Å; C78-C81 PolarHBondContact SG-N 2.93Å; C78-C81 VanDerWaalsContact SG-SG 3.64Å; C81-K85 VanDerWaalsContact O-CB 3.31Å; C81-K85 WeakPolarHBondContact O-CB 3.47Å; C81-K85 PolarHBondContact O-N 3.02Å
82R98.7Very high97.8Very high6 Ų663.2 Ų63.22%0.02332%0.322CS..Hα-helixtrans-64-45.5175.9-167-167.9-172.1162.1-0.9112.3V23 G40 C41 F44 I70 R75 N76 C78 R79 S80 K85 C86V23-R82 HydrophobicContact CG1-CG 4.41Å; G40-R82 VanDerWaalsContact C-NH2 3.26Å; G40-R82 PolarHBondContact O-NH2 3.26Å; C41-R82 PolarHBondContact SG-NH2 3.14Å; F44-R82 VanDerWaalsContact CD1-CD 3.43Å; F44-R82 HydrophobicContact CD1-CG 3.92Å; F44-R82 HydrophobicContact CE1-CB 3.88Å; F44-R82 HydrophobicContact CE1-CG 3.73Å; F44-R82 HydrophobicContact CZ-CB 4.1Å; F44-R82 HydrophobicContact CZ-CG 4.32Å; I70-R82 HydrophobicContact CD1-CB 3.89Å; I70-R82 HydrophobicContact CG2-CG 4.24Å; R75-R82 VanDerWaalsContact O-CD 3.25Å; R75-R82 WeakPolarHBondContact O-CD 3.34Å; N76-R82 PolarHBondContact OD1-NH1 3.34Å; C78-R82 WeakPolarHBondContact O-CB 3.32Å; C78-R82 PolarHBondContact O-N 3.16Å; R79-R82 PolarHBondContact O-N 3.15Å; S80-R82 VanDerWaalsContact C-N 3.28Å; S80-R82 PolarHBondContact O-N 3.13Å; R82-K85 PolarHBondContact O-N 2.87Å; R82-C86 PolarHBondContact O-N 3.09Å; R82-C86 PolarHBondContact O-SG 3.41Å; R82-C86 VanDerWaalsContact O-SG 3.33Å
83L98.6Very high97.8Very high22 Ų2263.4 Ų63.412%0.11532%0.323CS..Hα-helixtrans-67-41.9178.8-178.760.9000110.8F44 F45 Y55 R79 S80 K85 C86 L87F44-L83 HydrophobicContact CE1-CB 3.82Å; F44-L83 HydrophobicContact CE1-CD1 4.33Å; F44-L83 HydrophobicContact CZ-CB 3.99Å; F45-L83 HydrophobicContact CD2-CD1 3.95Å; F45-L83 HydrophobicContact CE2-CD1 4.32Å; Y55-L83 HydrophobicContact CD2-CB 4.2Å; Y55-L83 HydrophobicContact CD2-CD2 3.86Å; Y55-L83 HydrophobicContact CE2-CB 4.46Å; Y55-L83 HydrophobicContact CE2-CD2 4Å; R79-L83 WeakPolarHBondContact O-CB 3.4Å; R79-L83 PolarHBondContact O-N 2.83Å; S80-L83 PolarHBondContact O-N 3.09Å; S80-L83 VanDerWaalsContact O-N 3.15Å; L83-K85 VanDerWaalsContact C-N 3.33Å; L83-K85 PolarHBondContact O-N 3.33Å; L83-C86 WeakPolarHBondContact O-CB 3.15Å; L83-C86 PolarHBondContact O-N 2.94Å; L83-L87 HydrophobicContact CG-CD1 4.47Å; L83-L87 PolarHBondContact O-N 3.09Å
84N98.2Very high97.7Very high92 Ų9265.2 Ų65.249%0.49232%0.324SS..Hα-helixtrans-59.6-46.2175-165.420.7000110.9S80 C86 L87 Q88S80-N84 WeakPolarHBondContact O-CB 3.31Å; S80-N84 PolarHBondContact O-N 3.03Å; N84-C86 VanDerWaalsContact C-N 3.33Å; N84-C86 PolarHBondContact O-N 2.7Å; N84-L87 PolarHBondContact O-N 3.31Å; N84-L87 VanDerWaalsContact O-N 3.13Å; N84-Q88 WeakPolarHBondContact O-CB 3.41Å; N84-Q88 PolarHBondContact O-N 2.78Å
85K98.5Very high97.7Very high54 Ų5463.9 Ų63.924%0.23533%0.326CS..Hα-helixtrans-61.7-39.2175.5-167.2171.3-174.3-175.90112.4V23 I70 C81 R82 L83 L87 Q88 V89V23-K85 HydrophobicContact CG1-CB 4.4Å; V23-K85 HydrophobicContact CG1-CD 4.37Å; V23-K85 HydrophobicContact CG1-CG 4.29Å; V23-K85 WeakPolarHBondContact O-CD 2.97Å; V23-K85 WeakPolarHBondContact O-CE 3.4Å; V23-K85 PolarHBondContact O-NZ 2.95Å; I70-K85 HydrophobicContact CB-CD 3.65Å; I70-K85 HydrophobicContact CG1-CB 4.5Å; I70-K85 HydrophobicContact CG1-CD 3.97Å; I70-K85 HydrophobicContact CG2-CD 3.94Å; I70-K85 PolarHBondContact O-NZ 2.71Å; I70-K85 VanDerWaalsContact O-NZ 3.09Å; C81-K85 VanDerWaalsContact O-CB 3.31Å; C81-K85 WeakPolarHBondContact O-CB 3.47Å; C81-K85 PolarHBondContact O-N 3.02Å; R82-K85 PolarHBondContact O-N 2.87Å; L83-K85 VanDerWaalsContact C-N 3.33Å; L83-K85 PolarHBondContact O-N 3.33Å; K85-L87 VanDerWaalsContact C-N 3.34Å; K85-L87 PolarHBondContact O-N 2.85Å; K85-Q88 PolarHBondContact O-N 2.91Å; K85-V89 HydrophobicContact CG-CG1 4.33Å; K85-V89 WeakPolarHBondContact O-CG1 3.4Å; K85-V89 VanDerWaalsContact O-CG2 3.31Å; K85-V89 WeakPolarHBondContact O-CG2 3.2Å; K85-V89 PolarHBondContact O-N 3.15Å
86C98.7Very high97.6Very high0 Ų062.9 Ų62.90%032%0.324CS..Hα-helixtrans-56.4-46.6172.9-75.70000112F45 R82 L83 N84 V89 M91F45-C86 HydrophobicContact CD2-CB 3.59Å; F45-C86 HydrophobicContact CE2-CB 4.14Å; F45-C86 HydrophobicContact CG-CB 4.48Å; R82-C86 PolarHBondContact O-N 3.09Å; R82-C86 PolarHBondContact O-SG 3.41Å; R82-C86 VanDerWaalsContact O-SG 3.33Å; L83-C86 WeakPolarHBondContact O-CB 3.15Å; L83-C86 PolarHBondContact O-N 2.94Å; N84-C86 VanDerWaalsContact C-N 3.33Å; N84-C86 PolarHBondContact O-N 2.7Å; C86-V89 WeakPolarHBondContact O-CG2 3.31Å; C86-M91 HydrophobicContact CB-CB 4.4Å; C86-M91 HydrophobicContact CB-CG 4.21Å; C86-M91 HydrophobicContact CB-SD 3.63Å; C86-M91 WeakPolarHBondContact O-CB 3.45Å; C86-M91 WeakPolarHBondContact O-CG 3.5Å; C86-M91 PolarHBondContact O-N 3.28Å
87L98.2Very high97.2Very high78 Ų7863.3 Ų63.341%0.40832%0.323SS..Hα-helixtrans-68.1-44.7178.2-67168000111.4F45 L83 N84 K85 V89 G90F45-L87 HydrophobicContact CE2-CD2 3.76Å; F45-L87 HydrophobicContact CE2-CG 4.28Å; F45-L87 HydrophobicContact CZ-CD2 4.19Å; L83-L87 HydrophobicContact CG-CD1 4.47Å; L83-L87 PolarHBondContact O-N 3.09Å; N84-L87 PolarHBondContact O-N 3.31Å; N84-L87 VanDerWaalsContact O-N 3.13Å; K85-L87 VanDerWaalsContact C-N 3.34Å; K85-L87 PolarHBondContact O-N 2.85Å; L87-V89 VanDerWaalsContact C-N 3.32Å; L87-V89 PolarHBondContact O-N 3.26Å; L87-G90 WeakPolarHBondContact O-CA 3.36Å; L87-G90 PolarHBondContact O-N 2.73Å
88Q98Very high96.6Very high153 Ų15365.4 Ų65.472%0.71533%0.332SS*.Hα-helixtrans-58.6-40.7179.9-173-174.516.900112.5N84 K85 G90N84-Q88 WeakPolarHBondContact O-CB 3.41Å; N84-Q88 PolarHBondContact O-N 2.78Å; K85-Q88 PolarHBondContact O-N 2.91Å; Q88-G90 PolarHBondContact O-N 3Å
89V98.3Very high95.5Very high39 Ų3971.2 Ų71.224%0.23636%0.359CS..THydrogen-bonded Turntrans-78.3-0.6177.3-57.30000113.4K22 V23 I35 K85 C86 L87K22-V89 HydrophobicContact CB-CB 4.19Å; K22-V89 HydrophobicContact CB-CG1 4.36Å; K22-V89 HydrophobicContact CB-CG2 4.31Å; V23-V89 HydrophobicContact CG2-CG2 3.7Å; I35-V89 HydrophobicContact CD1-CB 4.36Å; I35-V89 HydrophobicContact CD1-CG2 3.35Å; I35-V89 WeakPolarHBondContact CG2-O 3.21Å; K85-V89 HydrophobicContact CG-CG1 4.33Å; K85-V89 WeakPolarHBondContact O-CG1 3.4Å; K85-V89 VanDerWaalsContact O-CG2 3.31Å; K85-V89 WeakPolarHBondContact O-CG2 3.2Å; K85-V89 PolarHBondContact O-N 3.15Å; C86-V89 WeakPolarHBondContact O-CG2 3.31Å; L87-V89 VanDerWaalsContact C-N 3.32Å; L87-V89 PolarHBondContact O-N 3.26Å
90G98.2Very high94.2Very high44 Ų4472 Ų7245%0.45436%0.362SS..THydrogen-bonded Turntrans9327.4174.800000115.5L87 Q88 N92L87-G90 WeakPolarHBondContact O-CA 3.36Å; L87-G90 PolarHBondContact O-N 2.73Å; Q88-G90 PolarHBondContact O-N 3Å; G90-N92 PolarHBondContact O-N 3.2Å
91M98.5Very high92.6Very high6 Ų673 Ų733%0.0338%0.377CS..  trans-64.9120167.5-71.8-168.3164.300110.1V23 Y33 I35 A37 C41 F45 C86 K93V23-M91 HydrophobicContact CG2-CE 3.89Å; V23-M91 HydrophobicContact CG2-SD 4.5Å; Y33-M91 WeakPolarHBondContact O-CA 3.01Å; I35-M91 HydrophobicContact CD1-CE 3.7Å; I35-M91 HydrophobicContact CD1-CG 3.73Å; I35-M91 HydrophobicContact CG1-CE 3.96Å; I35-M91 HydrophobicContact CG1-CG 3.71Å; A37-M91 HydrophobicContact CB-CE 3.35Å; C41-M91 HydrophobicContact CB-CE 4.3Å; F45-M91 HydrophobicContact CB-SD 3.61Å; F45-M91 HydrophobicContact CD1-CB 4.11Å; F45-M91 HydrophobicContact CD1-SD 4.09Å; F45-M91 HydrophobicContact CD2-CB 3.9Å; F45-M91 HydrophobicContact CD2-CG 4.47Å; F45-M91 HydrophobicContact CD2-SD 3.8Å; F45-M91 HydrophobicContact CE1-CB 3.82Å; F45-M91 HydrophobicContact CE2-CB 3.6Å; F45-M91 HydrophobicContact CE2-SD 4.48Å; F45-M91 HydrophobicContact CG-CB 4.14Å; F45-M91 HydrophobicContact CG-CG 4.5Å; F45-M91 HydrophobicContact CG-SD 3.57Å; F45-M91 VanDerWaalsContact CG-SD 3.57Å; F45-M91 HydrophobicContact CZ-CB 3.55Å; F45-M91 WeakPolarHBondContact CZ-O 3.34Å; C86-M91 HydrophobicContact CB-CB 4.4Å; C86-M91 HydrophobicContact CB-CG 4.21Å; C86-M91 HydrophobicContact CB-SD 3.63Å; C86-M91 WeakPolarHBondContact O-CB 3.45Å; C86-M91 WeakPolarHBondContact O-CG 3.5Å; C86-M91 PolarHBondContact O-N 3.28Å; M91-K93 PolarHBondContact O-N 2.93Å
92N97.5Very high90.8Very high78 Ų7878.6 Ų78.642%0.41741%0.413SS..  trans-77.5111.8-178.4-174.1-3.8000111.1Y33 F45 G90 E94 A95Y33-N92 PolarHBondContact O-N 3.18Å; F45-N92 WeakPolarHBondContact CE1-O 3.42Å; G90-N92 PolarHBondContact O-N 3.2Å; N92-E94 VanDerWaalsContact C-N 3.27Å; N92-E94 PolarHBondContact O-N 3.14Å; N92-E94 WeakPolarHBondContact OD1-CB 3.45Å; N92-E94 PolarHBondContact OD1-N 3.26Å; N92-A95 HydrophobicContact CB-CB 4.06Å; N92-A95 WeakPolarHBondContact O-CB 3.37Å; N92-A95 PolarHBondContact O-N 3.45Å
93K96.4Very high88.8Confident116 Ų11686.5 Ų86.550%0.50444%0.443SS..G310 helixtrans-61.8-33.5175.354.3163.7-1791600112.8F45 I49 M91 A95 V96F45-K93 HydrophobicContact CZ-CB 4.15Å; I49-K93 HydrophobicContact CD1-CB 3.96Å; I49-K93 HydrophobicContact CG1-CB 4.23Å; I49-K93 HydrophobicContact CG2-CB 4.21Å; M91-K93 PolarHBondContact O-N 2.93Å; K93-A95 VanDerWaalsContact C-N 3.26Å; K93-A95 PolarHBondContact O-N 2.81Å; K93-V96 WeakPolarHBondContact O-CB 3.38Å; K93-V96 WeakPolarHBondContact O-CG2 3.37Å; K93-V96 PolarHBondContact O-N 2.73Å; K93-V96 VanDerWaalsContact O-N 3.15Å
94E95.2Very high86.6Confident140 Ų14089.6 Ų89.665%0.65446%0.459SS*.G310 helixtrans-73.4-19.8-178.6-51.7-52.7139.800112N92 V96N92-E94 VanDerWaalsContact C-N 3.27Å; N92-E94 PolarHBondContact O-N 3.14Å; N92-E94 WeakPolarHBondContact OD1-CB 3.45Å; N92-E94 PolarHBondContact OD1-N 3.26Å; E94-V96 PolarHBondContact O-N 3.29Å
95A94.9Very high85Confident47 Ų4788.6 Ų88.639%0.38846%0.46SS..G310 helixtrans-74.7-717300000112.9Y33 N92 K93 Q97Y33-A95 HydrophobicContact CD1-CB 4.08Å; N92-A95 HydrophobicContact CB-CB 4.06Å; N92-A95 WeakPolarHBondContact O-CB 3.37Å; N92-A95 PolarHBondContact O-N 3.45Å; K93-A95 VanDerWaalsContact C-N 3.26Å; K93-A95 PolarHBondContact O-N 2.81Å; A95-Q97 PolarHBondContact O-N 3.18Å
96V95.1Very high83.4Confident20 Ų2089.4 Ų89.412%0.12147%0.469CS..  trans-81.199.7177.8-179.30000109.5Y33 F45 K46 I49 R50 K93 E94Y33-V96 HydrophobicContact CD1-CG2 3.78Å; Y33-V96 HydrophobicContact CE1-CG2 3.75Å; F45-V96 HydrophobicContact CD1-CG2 3.93Å; F45-V96 HydrophobicContact CE1-CG2 3.7Å; K46-V96 HydrophobicContact CG-CG1 4.13Å; I49-V96 HydrophobicContact CB-CB 4.38Å; I49-V96 HydrophobicContact CB-CG1 4.33Å; I49-V96 HydrophobicContact CB-CG2 4.09Å; I49-V96 HydrophobicContact CG1-CG2 4.27Å; I49-V96 HydrophobicContact CG2-CB 4.02Å; I49-V96 HydrophobicContact CG2-CG1 4.25Å; I49-V96 HydrophobicContact CG2-CG2 4.12Å; R50-V96 HydrophobicContact CG-CG1 3.68Å; K93-V96 WeakPolarHBondContact O-CB 3.38Å; K93-V96 WeakPolarHBondContact O-CG2 3.37Å; K93-V96 PolarHBondContact O-N 2.73Å; K93-V96 VanDerWaalsContact O-N 3.15Å; E94-V96 PolarHBondContact O-N 3.29Å
97Q88.6Confident81.8Confident124 Ų12490.8 Ų90.858%0.57948%0.477SS*.PPolyproline II helixtrans-59.1149.4174.1-63178.8-31.900111.7R50 A95R50-Q97 PolarHBondContact NE-O 3.32Å; R50-Q97 PolarHBondContact NH2-O 3.03Å; A95-Q97 PolarHBondContact O-N 3.18Å
98H83.3Confident80.4Confident157 Ų15794 Ų9473%0.72748%0.483SS*.PPolyproline II helixtrans-57.2166.1170.869.680.4000111.8R100H98-R100 PolarHBondContact O-N 3.19Å
99E76.1Confident79.3Confident126 Ų12695.1 Ų95.159%0.58948%0.481SS*.PPolyproline II helixtrans-59.5130.5175.4-66.1-156.116400109.7G101E99-G101 PolarHBondContact O-N 3.45Å
100R70.5Confident78.1Confident174 Ų17498.1 Ų98.166%0.65749%0.492SS*.PPolyproline II helixtrans-66.2127.1164.4-62.9-178.5-175.4178.90.4105.1H98H98-R100 PolarHBondContact O-N 3.19Å
101G64.5Low76.9Confident51 Ų5197 Ų9753%0.52648%0.476SS..PPolyproline II helixtrans-53.7171.8169.300000111.1E99 R103E99-G101 PolarHBondContact O-N 3.45Å; G101-R103 PolarHBondContact O-N 3.44Å
102P60.3Low75.9Confident123 Ų12399.7 Ų99.780%0.79950%0.495SS*.SBendtrans-43.8130.5174.2-24.232.2000109.5N104P102-N104 PolarHBondContact O-N 3.33Å; P102-N104 PolarHBondContact O-OD1 2.91Å
103R58.2Low74.9Confident173 Ų173100.2 Ų100.265%0.65350%0.497SS*.  trans-63.1101.8177.7-85.1-171.9173.7115-7.8107.7G101 S105 T106G101-R103 PolarHBondContact O-N 3.44Å; R103-S105 PolarHBondContact O-N 3.23Å; R103-T106 PolarHBondContact O-N 3.45Å
104N51.9Low73.9Confident86 Ų8696.4 Ų96.446%0.4648%0.481SS..Hα-helixtrans-54.8-20171.2-77.25.8000111.8P102 T106 L107 R108P102-N104 PolarHBondContact O-N 3.33Å; P102-N104 PolarHBondContact O-OD1 2.91Å; N104-T106 VanDerWaalsContact C-N 3.32Å; N104-T106 PolarHBondContact O-N 3Å; N104-L107 PolarHBondContact O-N 2.84Å; N104-R108 VanDerWaalsContact O-CB 3.32Å; N104-R108 WeakPolarHBondContact O-CB 3.47Å; N104-R108 VanDerWaalsContact O-CG 3.31Å; N104-R108 WeakPolarHBondContact O-CG 3.29Å; N104-R108 PolarHBondContact O-N 3.28Å
105S64.5Low73.1Confident72 Ų7292.8 Ų92.850%0.50346%0.463SS..Hα-helixtrans-61.7-36.3172.768.10000113.4R103 R109R103-S105 PolarHBondContact O-N 3.23Å; S105-R109 VanDerWaalsContact O-CB 3.25Å; S105-R109 WeakPolarHBondContact O-CB 3.26Å; S105-R109 PolarHBondContact O-N 3.13Å
106T65.4Low72.1Confident71 Ų7199.2 Ų99.244%0.43648%0.482SS..Hα-helixtrans-69.7-42.8177.4-560000109.7R103 N104 R109 Q110R103-T106 PolarHBondContact O-N 3.45Å; N104-T106 VanDerWaalsContact C-N 3.32Å; N104-T106 PolarHBondContact O-N 3Å; T106-R109 PolarHBondContact O-N 3.01Å; T106-Q110 HydrophobicContact CG2-CG 4.49Å; T106-Q110 WeakPolarHBondContact O-CB 3.25Å; T106-Q110 VanDerWaalsContact O-CG 3.3Å; T106-Q110 WeakPolarHBondContact O-CG 3.3Å; T106-Q110 PolarHBondContact O-N 3.2Å
107L64.5Low70.1Confident29 Ų29100.2 Ų100.215%0.15250%0.497CS..Hα-helixtrans-63.8-49.4175.3-171.7151.1000111.3N104 R109 Q110 M111 V317 N385N104-L107 PolarHBondContact O-N 2.84Å; L107-R109 VanDerWaalsContact C-N 3.25Å; L107-R109 PolarHBondContact O-N 2.82Å; L107-Q110 PolarHBondContact O-N 2.92Å; L107-Q110 VanDerWaalsContact O-N 3.14Å; L107-M111 WeakPolarHBondContact O-CB 3.41Å; L107-M111 PolarHBondContact O-N 3.11Å; L107-V317 HydrophobicContact CD2-CG1 4.35Å; L107-V317 HydrophobicContact CD2-CG2 4.17Å; L107-N385 HydrophobicContact CD1-CB 3.22Å; L107-N385 HydrophobicContact CG-CB 4.43Å
108R68.8Low68.2Low144 Ų14496.7 Ų96.754%0.54349%0.485SS..Hα-helixtrans-56.1-40.1174.3-76.3-174.3-174.7-175.85111.5N104 S112 D313N104-R108 VanDerWaalsContact O-CB 3.32Å; N104-R108 WeakPolarHBondContact O-CB 3.47Å; N104-R108 VanDerWaalsContact O-CG 3.31Å; N104-R108 WeakPolarHBondContact O-CG 3.29Å; N104-R108 PolarHBondContact O-N 3.28Å; R108-S112 VanDerWaalsContact O-CB 3.28Å; R108-S112 WeakPolarHBondContact O-CB 3.36Å; R108-S112 PolarHBondContact O-N 2.94Å; R108-S112 PolarHBondContact O-OG 3.05Å; R108-D313 IonicContact CZ-OD2 3.98Å; R108-D313 IonicContact NH2-OD2 3.21Å; R108-D313 PolarHBondContact NH2-OD2 3.38Å
109R75.6Confident66.2Low177 Ų17793.1 Ų93.167%0.66848%0.483SS*.Hα-helixtrans-66.3-49.2174.8-176.2178.6177.9-175.9-0.6111.4S105 T106 L107 M111 S112 L113S105-R109 VanDerWaalsContact O-CB 3.25Å; S105-R109 WeakPolarHBondContact O-CB 3.26Å; S105-R109 PolarHBondContact O-N 3.13Å; T106-R109 PolarHBondContact O-N 3.01Å; L107-R109 VanDerWaalsContact C-N 3.25Å; L107-R109 PolarHBondContact O-N 2.82Å; R109-M111 VanDerWaalsContact C-N 3.31Å; R109-M111 PolarHBondContact O-N 3.32Å; R109-S112 WeakPolarHBondContact CA-OG 3.41Å; R109-S112 PolarHBondContact O-N 2.91Å; R109-S112 PolarHBondContact O-OG 3.47Å; R109-L113 HydrophobicContact CG-CD1 4.14Å; R109-L113 VanDerWaalsContact O-CG 3.31Å; R109-L113 WeakPolarHBondContact O-CG 3.2Å; R109-L113 PolarHBondContact O-N 2.95Å
110Q72.9Confident64.6Low103 Ų10392.6 Ų92.648%0.48148%0.484SS..Hα-helixtrans-59.6-44.1177.8-75.7173.3-14.500111.3T106 L107 L113 F114T106-Q110 HydrophobicContact CG2-CG 4.49Å; T106-Q110 WeakPolarHBondContact O-CB 3.25Å; T106-Q110 VanDerWaalsContact O-CG 3.3Å; T106-Q110 WeakPolarHBondContact O-CG 3.3Å; T106-Q110 PolarHBondContact O-N 3.2Å; L107-Q110 PolarHBondContact O-N 2.92Å; L107-Q110 VanDerWaalsContact O-N 3.14Å; Q110-L113 PolarHBondContact O-N 3.15Å; Q110-F114 VanDerWaalsContact O-CB 3.25Å; Q110-F114 WeakPolarHBondContact O-CB 3.31Å; Q110-F114 PolarHBondContact O-N 2.85Å
111M72.3Confident63.1Low20 Ų2092.1 Ų92.110%0.09949%0.494CS..Hα-helixtrans-58.3-51.8173-164.774.2176.900110.7L107 R109 L113 F114 F115 V317 A320 V321 L382L107-M111 WeakPolarHBondContact O-CB 3.41Å; L107-M111 PolarHBondContact O-N 3.11Å; R109-M111 VanDerWaalsContact C-N 3.31Å; R109-M111 PolarHBondContact O-N 3.32Å; M111-L113 VanDerWaalsContact C-N 3.26Å; M111-L113 PolarHBondContact O-N 3.11Å; M111-F114 PolarHBondContact O-N 3.36Å; M111-F115 HydrophobicContact CE-CD2 3.58Å; M111-F115 HydrophobicContact CE-CE1 4.33Å; M111-F115 HydrophobicContact CE-CE2 3Å; M111-F115 HydrophobicContact CE-CG 4.48Å; M111-F115 HydrophobicContact CE-CZ 3.43Å; M111-F115 VanDerWaalsContact CE-CZ 3.43Å; M111-F115 HydrophobicContact CG-CD2 3.89Å; M111-F115 HydrophobicContact CG-CE2 4.13Å; M111-F115 VanDerWaalsContact O-CD2 3.29Å; M111-F115 WeakPolarHBondContact O-CD2 3.45Å; M111-F115 PolarHBondContact O-N 3.33Å; M111-F115 HydrophobicContact SD-CD2 3.65Å; M111-F115 HydrophobicContact SD-CE2 3.26Å; M111-F115 WeakPolarHBondContact SD-CE2 3.3Å; M111-F115 HydrophobicContact SD-CZ 4.24Å; M111-V317 HydrophobicContact CE-CB 4.3Å; M111-V317 HydrophobicContact CE-CG1 3.87Å; M111-V317 HydrophobicContact CE-CG2 4.45Å; M111-V317 HydrophobicContact SD-CG1 3.98Å; M111-A320 HydrophobicContact CE-CB 3.42Å; M111-A320 VanDerWaalsContact CE-CB 3.42Å; M111-V321 HydrophobicContact CE-CG2 4.13Å; M111-L382 HydrophobicContact SD-CD1 3.66Å; M111-L382 HydrophobicContact SD-CD2 3.74Å; M111-L382 HydrophobicContact SD-CG 4.28Å
112S77Confident61.7Low62 Ų6296.8 Ų96.843%0.43451%0.507SS..Hα-helixtrans-58.9-38.7178.871.50000112.1R108 R109 K116R108-S112 VanDerWaalsContact O-CB 3.28Å; R108-S112 WeakPolarHBondContact O-CB 3.36Å; R108-S112 PolarHBondContact O-N 2.94Å; R108-S112 PolarHBondContact O-OG 3.05Å; R109-S112 WeakPolarHBondContact CA-OG 3.41Å; R109-S112 PolarHBondContact O-N 2.91Å; R109-S112 PolarHBondContact O-OG 3.47Å; S112-K116 WeakPolarHBondContact O-CB 3.47Å; S112-K116 PolarHBondContact O-N 3.41Å
113L76.4Confident60.6Low89 Ų8997.7 Ų97.747%0.46651%0.505SS..Hα-helixtrans-71.2-43.4177.6-68.7171.5000111.8R109 Q110 M111 G117R109-L113 HydrophobicContact CG-CD1 4.14Å; R109-L113 VanDerWaalsContact O-CG 3.31Å; R109-L113 WeakPolarHBondContact O-CG 3.2Å; R109-L113 PolarHBondContact O-N 2.95Å; Q110-L113 PolarHBondContact O-N 3.15Å; M111-L113 VanDerWaalsContact C-N 3.26Å; M111-L113 PolarHBondContact O-N 3.11Å; L113-G117 PolarHBondContact O-N 2.9Å
114F75.4Confident59.3Low37 Ų3794.2 Ų94.216%0.16251%0.507CS..Hα-helixtrans-64.9-41.6-177.9-170.6-95.6000111.9Q110 M111 K324 M375 L379 L382Q110-F114 VanDerWaalsContact O-CB 3.25Å; Q110-F114 WeakPolarHBondContact O-CB 3.31Å; Q110-F114 PolarHBondContact O-N 2.85Å; M111-F114 PolarHBondContact O-N 3.36Å; F114-K324 HydrophobicContact CE1-CG 4.13Å; F114-M375 HydrophobicContact CE1-CE 4.28Å; F114-M375 HydrophobicContact CE2-CE 4.17Å; F114-M375 HydrophobicContact CE2-SD 4.08Å; F114-M375 HydrophobicContact CZ-CE 3.79Å; F114-M375 VanDerWaalsContact CZ-O 3.28Å; F114-M375 WeakPolarHBondContact CZ-O 3.38Å; F114-M375 HydrophobicContact CZ-SD 4.22Å; F114-L379 HydrophobicContact CD1-CD2 4.47Å; F114-L379 HydrophobicContact CE1-CD2 3.52Å; F114-L379 HydrophobicContact CE1-CG 3.87Å; F114-L379 HydrophobicContact CZ-CD2 4.05Å; F114-L379 HydrophobicContact CZ-CG 3.87Å; F114-L382 HydrophobicContact CD1-CD1 3.83Å; F114-L382 HydrophobicContact CE1-CD1 4.27Å; F114-L382 HydrophobicContact CG-CD1 4.23Å
115F78.3Confident58.3Low64 Ų6495.6 Ų95.628%0.28152%0.52SS..Hα-helixtrans-84.5-25.9-179.8-75.6-93.6000113.6M111 G117 A320 K324 L382M111-F115 HydrophobicContact CE-CD2 3.58Å; M111-F115 HydrophobicContact CE-CE1 4.33Å; M111-F115 HydrophobicContact CE-CE2 3Å; M111-F115 HydrophobicContact CE-CG 4.48Å; M111-F115 HydrophobicContact CE-CZ 3.43Å; M111-F115 VanDerWaalsContact CE-CZ 3.43Å; M111-F115 HydrophobicContact CG-CD2 3.89Å; M111-F115 HydrophobicContact CG-CE2 4.13Å; M111-F115 VanDerWaalsContact O-CD2 3.29Å; M111-F115 WeakPolarHBondContact O-CD2 3.45Å; M111-F115 PolarHBondContact O-N 3.33Å; M111-F115 HydrophobicContact SD-CD2 3.65Å; M111-F115 HydrophobicContact SD-CE2 3.26Å; M111-F115 WeakPolarHBondContact SD-CE2 3.3Å; M111-F115 HydrophobicContact SD-CZ 4.24Å; F115-G117 VanDerWaalsContact C-N 3.32Å; F115-A320 HydrophobicContact CE1-CB 3.86Å; F115-A320 VanDerWaalsContact CE1-O 3.24Å; F115-A320 WeakPolarHBondContact CE1-O 3.46Å; F115-A320 HydrophobicContact CZ-CB 3.91Å; F115-A320 WeakPolarHBondContact CZ-O 3.19Å; F115-K324 HydrophobicContact CE1-CB 3.71Å; F115-K324 HydrophobicContact CE1-CG 4.23Å; F115-K324 HydrophobicContact CZ-CB 3.95Å; F115-K324 HydrophobicContact CZ-CG 4.46Å; F115-L382 HydrophobicContact CE2-CD1 3.78Å
116K75.8Confident56.8Low182 Ų18298.1 Ų98.179%0.79154%0.535SS*.Hα-helixtrans-74.6-21.2177-170.7171-175.8177.50113.2S112S112-K116 WeakPolarHBondContact O-CB 3.47Å; S112-K116 PolarHBondContact O-N 3.41Å
117G53.1Low55.2Low41 Ų41102.8 Ų102.842%0.42356%0.557SS.*THydrogen-bonded Turntrans-90.64.2-17400000116.8L113 F115 A119L113-G117 PolarHBondContact O-N 2.9Å; F115-G117 VanDerWaalsContact C-N 3.32Å; G117-A119 VanDerWaalsContact C-N 3.26Å; G117-A119 PolarHBondContact O-N 3.18Å
118S47.5Very low53.7Low49 Ų49105.9 Ų105.934%0.34359%0.586SS.*THydrogen-bonded Turntrans-81.2-1.5178.6-61.70000114.3L120 K324S118-L120 PolarHBondContact O-N 2.71Å; S118-K324 VanDerWaalsContact CB-NZ 3.32Å; S118-K324 VanDerWaalsContact OG-CE 3.28Å; S118-K324 WeakPolarHBondContact OG-CE 3.3Å; S118-K324 PolarHBondContact OG-NZ 2.88Å
119A41.1Very low51.9Low82 Ų82107.1 Ų107.168%0.67860%0.602SS**  trans-94.673.1164.800000109.2G117 D121G117-A119 VanDerWaalsContact C-N 3.26Å; G117-A119 PolarHBondContact O-N 3.18Å; A119-D121 VanDerWaalsContact C-N 3.26Å
120L42.9Very low49.7Very low116 Ų116104.7 Ų104.761%0.60761%0.607SS**  trans-92.622.7171.2-105170.8000112.1S118 L123 L371S118-L120 PolarHBondContact O-N 2.71Å; L120-L123 HydrophobicContact CD2-CD1 4.31Å; L120-L371 HydrophobicContact CD1-CD1 4.44Å
121D39.2Very low47.6Very low164 Ų164105.6 Ų105.688%0.87762%0.622SS**  trans-92.81.3174-87.7-33.3000114.1A119A119-D121 VanDerWaalsContact C-N 3.26Å
122D35.8Very low45.5Very low148 Ų148116.4 Ų116.479%0.79166%0.662SS**  trans-99.520-176.7-124.3-5.2000114.7S124D122-S124 PolarHBondContact O-N 3.08Å
123L36.7Very low43.1Very low143 Ų143122.3 Ų122.375%0.74969%0.685SS**  trans-94.981.5163.7-75.6165.8000108.8L120L120-L123 HydrophobicContact CD2-CD1 4.31Å
124S29.5Very low40.9Very low100 Ų100121.4 Ų121.470%0.69970%0.697SS**PPolyproline II helixtrans-48.9133.3162.5-73.90000109.8D122D122-S124 PolarHBondContact O-N 3.08Å
125P32.3Very low38.5Very low115 Ų115129.5 Ų129.575%0.74773%0.732SS**PPolyproline II helixtrans-66.4137-171.7-15.528.5000111L127P125-L127 PolarHBondContact O-N 3.36Å
126P33Very low36Very low125 Ų125135 Ų13581%0.81276%0.764SS**PPolyproline II helixtrans-65.1130.7171.425.6-27.9000109A128P126-A128 PolarHBondContact O-N 3.04Å
127L32.1Very low33.6Very low169 Ų169130.9 Ų130.989%0.88576%0.763SS**  trans-38.6126.4-176.8-68.8163.5000112.9P125 L129P125-L127 PolarHBondContact O-N 3.36Å; L127-L129 PolarHBondContact O-N 3.33Å
128A32.1Very low32.4Very low93 Ų93134.6 Ų134.677%0.76978%0.78SS**  trans-55.4106.4176.400000111.5P126 T130P126-A128 PolarHBondContact O-N 3.04Å; A128-T130 PolarHBondContact O-N 3.38Å
129L30.1Very low31.4Very low170 Ų170138.5 Ų138.589%0.8980%0.804SS**  trans-81.1101.6157.9-76168.2000107.5L127 P131L127-L129 PolarHBondContact O-N 3.33Å; L129-P131 WeakPolarHBondContact O-CD 3.29Å
130T29.5Very low30.4Very low126 Ų126139.7 Ų139.777%0.77381%0.808SS**  trans-61124.3176.551.90000111.1A128 R132A128-T130 PolarHBondContact O-N 3.38Å; T130-R132 PolarHBondContact O-N 3.46Å
131P30.5Very low29.5Very low122 Ų122139.1 Ų139.179%0.79281%0.813SS**  trans-79.2118.3169.3-4.221.9000109.4L129 M133L129-P131 WeakPolarHBondContact O-CD 3.29Å; P131-M133 PolarHBondContact O-N 2.95Å; P131-M133 VanDerWaalsContact O-N 3.16Å
132R26.4Very low28.7Very low247 Ų247136.3 Ų136.393%0.93281%0.807SS**  trans-66.7104.8172.3-172180-175.1-169.21.8109T130 G134T130-R132 PolarHBondContact O-N 3.46Å; R132-G134 PolarHBondContact O-N 2.82Å; R132-G134 VanDerWaalsContact O-N 3.14Å
133M27.6Very low28.1Very low186 Ų186138 Ų13892%0.91681%0.81SS**  trans-68106.3172.6-74.1-154.7170.700110.5P131P131-M133 PolarHBondContact O-N 2.95Å; P131-M133 VanDerWaalsContact O-N 3.16Å
134G29.9Very low27.4Very low70 Ų70139.5 Ų139.572%0.72281%0.813SS**  trans-83.2125.1167.900000110.7R132R132-G134 PolarHBondContact O-N 2.82Å; R132-G134 VanDerWaalsContact O-N 3.14Å
135K24.3Very low27Very low207 Ų207142 Ų14290%0.982%0.818SS**  trans-57.4133.7175.1-63.7171.9175.8-179.60111.6
136L26.2Very low26.6Very low180 Ų180142.3 Ų142.394%0.94282%0.822SS**  trans-127.9123.6155.7-82165.4000108.7
137A25.1Very low25.9Very low95 Ų95147 Ų14779%0.78583%0.829SS**PPolyproline II helixtrans-87.5161.4-174.800000111.9
138P28.3Very low25.4Very low120 Ų120142.7 Ų142.778%0.77983%0.826SS**PPolyproline II helixtrans-98.7152.8-16537.1-30.9000113.1
139P26.3Very low24.9Very low130 Ų130144.3 Ų144.384%0.84483%0.826SS**PPolyproline II helixtrans-90.8141.9166.333.2-27.9000112.2
140S21.6Very low24.5Very low108 Ų108143.9 Ų143.976%0.75583%0.825SS**  trans-85.5174.717748.70000113.4
141S22.9Very low24.2Very low103 Ų103141.5 Ų141.572%0.7283%0.826SS**  trans79.799.4159.8530000119.9
142S22.7Very low23.8Very low106 Ų106140.8 Ų140.874%0.74183%0.83SS**  44.1118.9117.848.50000120.6
143E24.1Very low23.6Very low184 Ų184140.9 Ų140.986%0.8683%0.83SS**  174.9127.9115.1-93.8175.117000112.5
144E21.6Very low23.3Very low174 Ų174140.6 Ų140.681%0.81383%0.827SS**  trans48.5125.9143.2-55.1-155.9140.700126.1
145L21.2Very low23Very low151 Ų151142.4 Ų142.479%0.79183%0.826SS**  trans17125.6139.3-78.785.5000121
146C22.4Very low22.9Very low123 Ų123140 Ų14083%0.83182%0.821SS**  -177.8147.2104.2-92.40000112.7
147F18.8Very low22.7Very low222 Ų222140.6 Ų140.697%0.97482%0.817SS**  trans-63.7141.9178.6-80.5-104.6000113.5
148G22.2Very low22.6Very low79 Ų79141.6 Ų141.681%0.81481%0.813SS**  trans172.1112.7168.200000112.8
149T21.5Very low22.4Very low127 Ų127138.6 Ų138.678%0.77980%0.804SS**  trans-64153.5-172.448.70000116
150N21.6Very low22.2Very low162 Ų162142.8 Ų142.887%0.86680%0.804SS**  trans82120.8156-64.8-24.4000119.1
151G22.4Very low22.4Very low76 Ų76145.5 Ų145.578%0.78481%0.81SS**  trans114.975.1144.700000114.3R153G151-R153 PolarHBondContact O-N 3.39Å
152A22.2Very low22.9Very low106 Ų106148.9 Ų148.988%0.87682%0.815SS**  trans-47.8120.3171.100000112.9
153R21.9Very low23.1Very low249 Ų249151.3 Ų151.394%0.9481%0.812SS**  trans-132.990154.3-143.2178.2-169.5-160.13.1107.6G151G151-R153 PolarHBondContact O-N 3.39Å
154Q22.4Very low23.2Very low180 Ų180152.2 Ų152.284%0.84181%0.814SS**  trans-94.5157.3166.6-81.3-81.3-10.800109.3
155P23.9Very low23.4Very low108 Ų108153.6 Ų153.670%0.70182%0.82SS**  trans-94.5166.2-143.736.2-37.8000115.2F157P155-F157 PolarHBondContact O-N 3.44Å
156I22.6Very low23.8Very low157 Ų157151.1 Ų151.181%0.80582%0.821SS**  trans-58.6111.5174.8-59.7158.2000109.5T158I156-T158 HydrophobicContact CG2-CG2 4.1Å
157F20.8Very low24Very low193 Ų193149.3 Ų149.385%0.84682%0.815SS**  trans-116.3103156.8-153-98.8000109P155P155-F157 PolarHBondContact O-N 3.44Å
158T23.7Very low24.4Very low116 Ų116142.9 Ų142.971%0.71280%0.803SS**  trans-68.2130.3168.444.90000110I156I156-T158 HydrophobicContact CG2-CG2 4.1Å
159G23.3Very low24.6Very low57 Ų57144 Ų14459%0.58880%0.796SS**  trans121.198.4161.900000113.1
160Y22.4Very low25.1Very low217 Ų217147.1 Ų147.185%0.85180%0.795SS**  trans162.375.7137.7-104.5-91.2000108.5
161N26.4Very low25.4Very low165 Ų165146.2 Ų146.288%0.88279%0.789SS**  trans-14665.6163.6-91.4-37.7000108
162Q33.6Very low25.8Very low175 Ų175152.2 Ų152.282%0.81879%0.794SS**SBendtrans-130.915.9167.4-158.2177.4-20.700112.6
163F27.1Very low26.1Very low156 Ų156155.7 Ų155.768%0.68480%0.797SS**SBendtrans-135.2138.3171-67.5-84.3000107.7
164F24.9Very low26.3Very low203 Ų203150.7 Ų150.789%0.8979%0.789SS**SBendtrans9243.8-170.1-51.7-76.9000117.7
165Q26.9Very low27Very low204 Ų204147.5 Ų147.595%0.95378%0.784SS**  trans-127.764.5135.6-88.4-170.6-17.500108.7
166A28.8Very low27.1Very low98 Ų98148 Ų14881%0.8179%0.785SS**  trans-130.760.4179.800000110
167A26Very low27.2Very low85 Ų85151.9 Ų151.970%0.70279%0.79SS**  trans-157.952.4166.300000111.1
168A27Very low27.5Very low88 Ų88152.8 Ų152.873%0.72779%0.793SS**  trans-141.866.4169.300000112.2Y170A168-Y170 VanDerWaalsContact C-N 3.29Å; A168-Y170 PolarHBondContact O-N 3.37Å
169P28Very low27.7Very low101 Ų101155.5 Ų155.566%0.65680%0.8SS**THydrogen-bonded Turntrans-90.837.7179.538.2-34.1000113.3
170Y30.6Very low27.8Very low194 Ų194160.4 Ų160.476%0.76181%0.812SS**THydrogen-bonded Turntrans-132.34.9176.1-67.2-67.2000116.6A168A168-Y170 VanDerWaalsContact C-N 3.29Å; A168-Y170 PolarHBondContact O-N 3.37Å
171L27.9Very low28Very low142 Ų142154.7 Ų154.774%0.74381%0.809SS**SBendtrans-122.4128.6167.4-61.6175000107.3
172F31.4Very low27.8Very low203 Ų203150.6 Ų150.689%0.8981%0.807SS**  trans92.162.8-178.9-45.5-68.2000117.1
173L28.9Very low27.3Very low179 Ų179150.3 Ų150.394%0.93781%0.81SS**  trans-116.981.9143.5-95144.3000109.1
174N25.3Very low27Very low144 Ų144146 Ų14677%0.7781%0.81SS**  trans-155123.3142.2-141.6-18.9000111.9
175P37.1Very low27Very low112 Ų112142.2 Ų142.273%0.72781%0.806SS**  trans-98108.9-175.234-25000111.4
176T26.1Very low26.7Very low119 Ų119142.5 Ų142.573%0.7380%0.804SS**  trans-157.815.2161.810.30000116.2K178T176-K178 PolarHBondContact O-N 3.05Å
177W24.4Very low26.4Very low239 Ų239142.9 Ų142.991%0.90580%0.801SS**  trans-100.568.5172.8-72.274.7000110.4
178K27Very low26Very low212 Ų212143 Ų14392%0.92280%0.802SS**  trans-126.525.1165.9-133.8-178.1-173.3-176.10112.1T176T176-K178 PolarHBondContact O-N 3.05Å
179M28.5Very low25.8Very low172 Ų172143.5 Ų143.585%0.84781%0.806SS**SBendtrans-127.518.2-174.3-129.5175.378.800115
180L26.2Very low25.4Very low160 Ų160146.4 Ų146.484%0.83881%0.811SS**SBendtrans-14770.5170.3-78.9170.8000110.4
181A25.4Very low24.9Very low97 Ų97144.2 Ų144.280%0.80281%0.808SS**  trans-16586.3153.500000106.1
182G22.2Very low24.5Very low80 Ų80144.2 Ų144.283%0.82580%0.804SS**  trans-61.1139174.400000110.4G184G182-G184 PolarHBondContact O-N 3.08Å
183N22.9Very low23.9Very low168 Ų168144.9 Ų144.990%0.89880%0.801SS**  trans-59.3127.9164.2-70.5-26.1000109.5
184G21.4Very low23.5Very low66 Ų66140.8 Ų140.868%0.6879%0.787SS**  trans-153.881.1163.600000109.9G182 F186G182-G184 PolarHBondContact O-N 3.08Å; G184-F186 PolarHBondContact O-N 3.12Å
185P25.3Very low23.4Very low124 Ų124139.3 Ų139.381%0.80579%0.788SS**  trans-73.9112.6165.527.7-27.2000108.8
186F21.4Very low22.7Very low209 Ų209138.6 Ų138.692%0.91779%0.792SS**PPolyproline II helixtrans-71.5147.5165-118.8-92.5000109.9G184G184-F186 PolarHBondContact O-N 3.12Å
187S20.6Very low23.1Very low106 Ų106138.2 Ų138.274%0.74179%0.791SS**PPolyproline II helixtrans-46.1146.8178.8-171.60000115
188A19Very low23.1Very low88 Ų88134.5 Ų134.573%0.72779%0.788SS**PPolyproline II helixtrans-48136.2154.700000111.6
189A22.5Very low23Very low98 Ų98128.7 Ų128.781%0.8177%0.774SS**  trans-156.3112.7152.400000108.6
190E19.5Very low22.8Very low163 Ų163127.5 Ų127.576%0.76277%0.768SS**  trans-29.8153160.9-121.594.5173.300117.7
191E19.8Very low22.8Very low147 Ų147128.6 Ų128.669%0.68777%0.774SS**  trans89123.4131.9-84.6-17513600123.6
192Q19.7Very low22.7Very low143 Ų143132.1 Ų132.167%0.66877%0.772SS**  94.8115.3122.8-83.2-179.716.500120.1
193R19.3Very low22.8Very low216 Ų216133.4 Ų133.482%0.81577%0.768SS**  66.9115127.3-88.2-169.2171.4-153.4-2.2118.8
194S20Very low23Very low94 Ų94131.1 Ų131.166%0.65776%0.762SS**  87.8143.2115.9-60.20000118.9
195S22.2Very low23.3Very low112 Ų112134.8 Ų134.878%0.78377%0.772SS**  trans78.699152.139.90000119
196A24.4Very low23.3Very low97 Ų97135.5 Ų135.580%0.80276%0.764SS**  84.1157118.800000118.3
197P33.6Very low23.8Very low111 Ų111130.7 Ų130.772%0.72175%0.754SS**  trans-114.3149.2-133.738.6-28.6000111.9
198L25Very low24Very low162 Ų162133.4 Ų133.485%0.84876%0.759SS**  trans-143.4102.9149.1-77.1-179.3000109.3M200L198-M200 PolarHBondContact O-N 2.68Å
199S24.1Very low24.4Very low90 Ų90136.7 Ų136.763%0.62976%0.764SS**  trans-8.9109.6130.647.50000113.7
200M24.7Very low24.6Very low146 Ų146140.4 Ų140.472%0.71976%0.764SS**  trans176.762.1135.1-87.5-50.315100107L198 F202L198-M200 PolarHBondContact O-N 2.68Å; M200-F202 HydrophobicContact CB-CD2 4.2Å; M200-F202 HydrophobicContact CB-CE2 4.38Å; M200-F202 HydrophobicContact CG-CE2 4.25Å; M200-F202 PolarHBondContact O-N 3.13Å; M200-F202 HydrophobicContact SD-CD2 4.32Å; M200-F202 HydrophobicContact SD-CE2 3.75Å
201L25.1Very low24.9Very low183 Ų183138.9 Ų138.996%0.95877%0.77SS**  trans-73.579.1162.3-76.3171.3000107.7S203L201-S203 PolarHBondContact O-N 2.76Å
202F24.8Very low25.4Very low172 Ų172135.7 Ų135.775%0.75477%0.769SS**  trans-61.8113.7153.7-83.9-86.3000108.4M200M200-F202 HydrophobicContact CB-CD2 4.2Å; M200-F202 HydrophobicContact CB-CE2 4.38Å; M200-F202 HydrophobicContact CG-CE2 4.25Å; M200-F202 PolarHBondContact O-N 3.13Å; M200-F202 HydrophobicContact SD-CD2 4.32Å; M200-F202 HydrophobicContact SD-CE2 3.75Å
203S23.4Very low25.9Very low107 Ų107134.6 Ų134.675%0.74878%0.777SS**  trans48146.6134.8-89.90000122.6L201L201-S203 PolarHBondContact O-N 2.76Å
204P28.2Very low26.8Very low120 Ų120127.1 Ų127.178%0.77976%0.758SS**  trans-92.1129.8-160.235.7-29000111.9
205T25.8Very low27.8Very low143 Ų143126.8 Ų126.888%0.87776%0.756SS**  trans-111.7118.1154.342.50000108.5
206H25.7Very low28.8Very low139 Ų139126.6 Ų126.664%0.64475%0.749SS**  trans-23.3157.7157.7-110.8-98.5000114.4
207P33Very low30Very low108 Ų108126 Ų12670%0.70173%0.733SS**  -157.6112.752.336.3-11.5000117.2
208L25.3Very low30.9Very low163 Ų163125 Ų12585%0.85373%0.733SS**  trans-145.3104147.6-75-178.7000108.6Q210L208-Q210 PolarHBondContact O-N 3.31Å
209L27Very low32.3Very low157 Ų157120.4 Ų120.482%0.82272%0.719SS**  trans-62.388.7166.9-9687.6000108.4
210Q27.1Very low33.8Very low176 Ų176117.6 Ų117.682%0.82270%0.697SS**  trans-60.7131.1142.6-86.9170.4-21.300106.5L208 A212L208-Q210 PolarHBondContact O-N 3.31Å; Q210-A212 VanDerWaalsContact C-N 3.33Å; Q210-A212 PolarHBondContact O-N 3.31Å
211C25.6Very low35.5Very low130 Ų130117.9 Ų117.988%0.87870%0.695SS**  trans-48.4106.8164.6-72.70000106.8S213C211-S213 PolarHBondContact O-N 2.92Å
212A28.6Very low37.7Very low80 Ų80111.4 Ų111.466%0.66167%0.667SS**  trans-51.5116.1170.400000105.3Q210 S214Q210-A212 VanDerWaalsContact C-N 3.33Å; Q210-A212 PolarHBondContact O-N 3.31Å; A212-S214 PolarHBondContact O-N 3.28Å; A212-S214 PolarHBondContact O-OG 3.08Å
213S30.6Very low39.8Very low120 Ų120104.4 Ų104.484%0.83964%0.637SS**  trans-5177.7146.8430000106.5C211 S215C211-S213 PolarHBondContact O-N 2.92Å; S213-S215 PolarHBondContact O-N 3.35Å
214S39.5Very low41.9Very low60 Ų60100.8 Ų100.842%0.4261%0.61SS.*  trans-61.6109.5162.727.80000103.1A212 V216A212-S214 PolarHBondContact O-N 3.28Å; A212-S214 PolarHBondContact O-OG 3.08Å; S214-V216 PolarHBondContact O-N 2.93Å; S214-V216 VanDerWaalsContact O-N 3.07Å
215S40.7Very low43.9Very low87 Ų8797 Ų9761%0.60859%0.587SS**  trans-39.5120.7152.751.20000106.3S213 N217S213-S215 PolarHBondContact O-N 3.35Å; S215-N217 PolarHBondContact O-N 3Å; S215-N217 PolarHBondContact O-OD1 3.45Å; S215-N217 PolarHBondContact OG-OD1 3.27Å
216V43.4Very low46.4Very low107 Ų10796.2 Ų96.265%0.64857%0.568SS**  trans-49.1108.8177.3-174.90000106.4S214 D220S214-V216 PolarHBondContact O-N 2.93Å; S214-V216 VanDerWaalsContact O-N 3.07Å; V216-D220 HydrophobicContact CG1-CB 4.43Å
217N49.2Very low48.7Very low85 Ų8589.7 Ų89.746%0.45554%0.538SS..  trans-77.9148.2-168-81.2-33.3000108.1S215 A219 D220S215-N217 PolarHBondContact O-N 3Å; S215-N217 PolarHBondContact O-OD1 3.45Å; S215-N217 PolarHBondContact OG-OD1 3.27Å; N217-A219 HydrophobicContact CB-CB 4.38Å; N217-A219 PolarHBondContact O-N 2.79Å; N217-D220 PolarHBondContact N-OD2 3.39Å; N217-D220 VanDerWaalsContact N-OD2 3.14Å; N217-D220 WeakPolarHBondContact O-CB 3.25Å; N217-D220 PolarHBondContact O-N 3.08Å
218A51.2Low50.6Low89 Ų8991.7 Ų91.774%0.73653%0.531SS*.Hα-helixtrans-53.4-26.8172.100000112.6F221 A222A218-F221 PolarHBondContact O-N 2.98Å; A218-A222 PolarHBondContact O-N 3.38Å
219A55.4Low52.9Low67 Ų6789.6 Ų89.655%0.55452%0.52SS*.Hα-helixtrans-62.6-36.9172.600000113.4N217 A222 E223N217-A219 HydrophobicContact CB-CB 4.38Å; N217-A219 PolarHBondContact O-N 2.79Å; A219-A222 PolarHBondContact O-N 3.16Å; A219-E223 WeakPolarHBondContact O-CB 3.37Å; A219-E223 PolarHBondContact O-N 2.81Å
220D55.6Low55Low30 Ų3083.7 Ų83.716%0.1649%0.49CS..Hα-helixtrans-66.4-42.6178.3-60.7-27.7000110.1V216 N217 E223 V224V216-D220 HydrophobicContact CG1-CB 4.43Å; N217-D220 PolarHBondContact N-OD2 3.39Å; N217-D220 VanDerWaalsContact N-OD2 3.14Å; N217-D220 WeakPolarHBondContact O-CB 3.25Å; N217-D220 PolarHBondContact O-N 3.08Å; D220-E223 PolarHBondContact O-N 2.9Å; D220-V224 VanDerWaalsContact O-CG2 3.29Å; D220-V224 WeakPolarHBondContact O-CG2 3.31Å; D220-V224 PolarHBondContact O-N 3.41Å
221F61Low57Low152 Ų15275.8 Ų75.867%0.66745%0.453SS*.Hα-helixtrans-66.6-40177.2-171.1-93.8000112.3A218 E223 V224 S225A218-F221 PolarHBondContact O-N 2.98Å; F221-E223 VanDerWaalsContact C-N 3.35Å; F221-V224 PolarHBondContact O-N 3.3Å; F221-S225 WeakPolarHBondContact CE1-OG 3.07Å; F221-S225 VanDerWaalsContact O-CB 3.3Å; F221-S225 WeakPolarHBondContact O-CB 3.38Å; F221-S225 PolarHBondContact O-N 3.47Å; F221-S225 PolarHBondContact O-OG 3.49Å
222A69.7Low59Low47 Ų4774.3 Ų74.339%0.38843%0.433SS..Hα-helixtrans-64.1-40175.800000111.9A218 A219 S225 R226A218-A222 PolarHBondContact O-N 3.38Å; A219-A222 PolarHBondContact O-N 3.16Å; A222-S225 PolarHBondContact O-N 3.17Å; A222-R226 WeakPolarHBondContact O-CB 3.48Å; A222-R226 PolarHBondContact O-N 3.46Å
223E70.5Confident60.9Low26 Ų2679.8 Ų79.812%0.12144%0.436CS..Hα-helixtrans-66.5-46.1175.4-174.164-171.600111.8A219 D220 F221 S225 R226 I227A219-E223 WeakPolarHBondContact O-CB 3.37Å; A219-E223 PolarHBondContact O-N 2.81Å; D220-E223 PolarHBondContact O-N 2.9Å; F221-E223 VanDerWaalsContact C-N 3.35Å; E223-S225 VanDerWaalsContact C-N 3.3Å; E223-S225 PolarHBondContact O-N 3.47Å; E223-R226 PolarHBondContact O-N 2.91Å; E223-R226 IonicContact OE2-CZ 2.76Å; E223-R226 IonicContact OE2-NH1 3.68Å; E223-R226 PolarHBondContact OE2-NH1 3.43Å; E223-I227 HydrophobicContact CG-CD1 4Å; E223-I227 WeakPolarHBondContact O-CB 3.43Å; E223-I227 VanDerWaalsContact O-CG1 3.31Å; E223-I227 WeakPolarHBondContact O-CG1 3.28Å; E223-I227 PolarHBondContact O-N 3.16Å
224V66.4Low62.7Low30 Ų3075 Ų7518%0.18240%0.403CS..Hα-helixtrans-59.9-42.1175172.20000111D220 F221 I227 R228 Y337 Y361D220-V224 VanDerWaalsContact O-CG2 3.29Å; D220-V224 WeakPolarHBondContact O-CG2 3.31Å; D220-V224 PolarHBondContact O-N 3.41Å; F221-V224 PolarHBondContact O-N 3.3Å; V224-I227 PolarHBondContact O-N 3.35Å; V224-R228 WeakPolarHBondContact O-CB 3.24Å; V224-R228 PolarHBondContact O-N 2.89Å; V224-Y337 WeakPolarHBondContact CG2-OH 2.82Å; V224-Y361 HydrophobicContact CG1-CD2 4.24Å; V224-Y361 HydrophobicContact CG1-CE2 4.17Å; V224-Y361 HydrophobicContact CG2-CD2 4.1Å
225S71.5Confident63.9Low42 Ų4273.1 Ų73.129%0.29439%0.39SS..Hα-helixtrans-63.8-44177.1-60.50000111.7F221 A222 E223 R228 L229F221-S225 WeakPolarHBondContact CE1-OG 3.07Å; F221-S225 VanDerWaalsContact O-CB 3.3Å; F221-S225 WeakPolarHBondContact O-CB 3.38Å; F221-S225 PolarHBondContact O-N 3.47Å; F221-S225 PolarHBondContact O-OG 3.49Å; A222-S225 PolarHBondContact O-N 3.17Å; E223-S225 VanDerWaalsContact C-N 3.3Å; E223-S225 PolarHBondContact O-N 3.47Å; S225-R228 PolarHBondContact O-N 3.33Å; S225-L229 WeakPolarHBondContact O-CG 3.25Å; S225-L229 PolarHBondContact O-N 3.23Å
226R77.6Confident65.1Low125 Ų12575 Ų7547%0.47239%0.389SS..Hα-helixtrans-60-47.8174.4-177.4-171.8-70.11023.5111A222 E223 R228 L229 L230A222-R226 WeakPolarHBondContact O-CB 3.48Å; A222-R226 PolarHBondContact O-N 3.46Å; E223-R226 PolarHBondContact O-N 2.91Å; E223-R226 IonicContact OE2-CZ 2.76Å; E223-R226 IonicContact OE2-NH1 3.68Å; E223-R226 PolarHBondContact OE2-NH1 3.43Å; R226-R228 VanDerWaalsContact C-N 3.32Å; R226-R228 PolarHBondContact O-N 3.29Å; R226-L229 PolarHBondContact O-N 3.17Å; R226-L230 HydrophobicContact CG-CD1 3.95Å; R226-L230 WeakPolarHBondContact O-CB 3.15Å; R226-L230 WeakPolarHBondContact O-CD1 3.21Å; R226-L230 WeakPolarHBondContact O-CG 3.37Å; R226-L230 PolarHBondContact O-N 2.99Å
227I73.3Confident66Low2 Ų275.7 Ų75.71%0.0138%0.38CS..Hα-helixtrans-58.7-43.6176.4-74.2171000110.7E223 V224 L229 L230 I231 V333 A336 Y337 I340E223-I227 HydrophobicContact CG-CD1 4Å; E223-I227 WeakPolarHBondContact O-CB 3.43Å; E223-I227 VanDerWaalsContact O-CG1 3.31Å; E223-I227 WeakPolarHBondContact O-CG1 3.28Å; E223-I227 PolarHBondContact O-N 3.16Å; V224-I227 PolarHBondContact O-N 3.35Å; I227-L229 PolarHBondContact O-N 3.24Å; I227-L230 WeakPolarHBondContact O-CB 2.97Å; I227-L230 PolarHBondContact O-N 3.34Å; I227-I231 HydrophobicContact CG2-CD1 3.54Å; I227-I231 HydrophobicContact CG2-CG1 4.35Å; I227-I231 WeakPolarHBondContact O-CB 3.38Å; I227-I231 VanDerWaalsContact O-CD1 3.27Å; I227-I231 WeakPolarHBondContact O-CD1 3.28Å; I227-I231 WeakPolarHBondContact O-CG1 3.28Å; I227-I231 PolarHBondContact O-N 3.01Å; I227-V333 HydrophobicContact CG2-CG1 4.09Å; I227-A336 HydrophobicContact CG2-CB 3.36Å; I227-Y337 HydrophobicContact CD1-CD1 4.16Å; I227-Y337 HydrophobicContact CD1-CE1 3.57Å; I227-Y337 HydrophobicContact CD1-CE2 4.31Å; I227-I340 HydrophobicContact CD1-CD1 3.83Å; I227-I340 HydrophobicContact CG1-CD1 4.16Å
228R74Confident67Low151 Ų15172 Ų7257%0.5736%0.36SS*.Hα-helixtrans-61.1-45.4178.1-159.3179.2-140.2-142.64.4112.3V224 S225 R226 L230 I231 E232V224-R228 WeakPolarHBondContact O-CB 3.24Å; V224-R228 PolarHBondContact O-N 2.89Å; S225-R228 PolarHBondContact O-N 3.33Å; R226-R228 VanDerWaalsContact C-N 3.32Å; R226-R228 PolarHBondContact O-N 3.29Å; R228-L230 VanDerWaalsContact C-N 3.35Å; R228-L230 PolarHBondContact O-N 2.88Å; R228-I231 WeakPolarHBondContact O-CB 3.32Å; R228-I231 PolarHBondContact O-N 3.49Å; R228-E232 WeakPolarHBondContact O-CG 3.42Å; R228-E232 PolarHBondContact O-N 3.07Å
229L73.2Confident67.6Low118 Ų11873 Ų7362%0.61835%0.352SS*.Hα-helixtrans-62.7-40.7175.8-69.5170.1000112.2S225 R226 I227 I231 E232 R233S225-L229 WeakPolarHBondContact O-CG 3.25Å; S225-L229 PolarHBondContact O-N 3.23Å; R226-L229 PolarHBondContact O-N 3.17Å; I227-L229 PolarHBondContact O-N 3.24Å; L229-I231 VanDerWaalsContact C-N 3.32Å; L229-I231 PolarHBondContact O-N 2.9Å; L229-E232 PolarHBondContact O-N 2.92Å; L229-R233 WeakPolarHBondContact O-CB 3.28Å; L229-R233 PolarHBondContact O-N 2.65Å; L229-R233 VanDerWaalsContact O-N 3.12Å
230L70.9Confident67.9Low34 Ų3475.6 Ų75.618%0.17836%0.357CS..Hα-helixtrans-61-41.6175.8-74.5164000112.2R226 I227 R228 S234 T264R226-L230 HydrophobicContact CG-CD1 3.95Å; R226-L230 WeakPolarHBondContact O-CB 3.15Å; R226-L230 WeakPolarHBondContact O-CD1 3.21Å; R226-L230 WeakPolarHBondContact O-CG 3.37Å; R226-L230 PolarHBondContact O-N 2.99Å; I227-L230 WeakPolarHBondContact O-CB 2.97Å; I227-L230 PolarHBondContact O-N 3.34Å; R228-L230 VanDerWaalsContact C-N 3.35Å; R228-L230 PolarHBondContact O-N 2.88Å; L230-S234 WeakPolarHBondContact O-CB 3.26Å; L230-S234 PolarHBondContact O-N 2.75Å; L230-S234 PolarHBondContact O-OG 3.37Å; L230-T264 HydrophobicContact CD2-CG2 4.19Å; L230-T264 VanDerWaalsContact CD2-OG1 3.24Å; L230-T264 WeakPolarHBondContact CD2-OG1 3.24Å
231I69.4Low68.2Low10 Ų1078.4 Ų78.45%0.05137%0.367CS..Hα-helixtrans-65.6-54175.3-70.1157.4000110.4I227 R228 L229 R233 S234 C235 P332 V333 A336I227-I231 HydrophobicContact CG2-CD1 3.54Å; I227-I231 HydrophobicContact CG2-CG1 4.35Å; I227-I231 WeakPolarHBondContact O-CB 3.38Å; I227-I231 VanDerWaalsContact O-CD1 3.27Å; I227-I231 WeakPolarHBondContact O-CD1 3.28Å; I227-I231 WeakPolarHBondContact O-CG1 3.28Å; I227-I231 PolarHBondContact O-N 3.01Å; R228-I231 WeakPolarHBondContact O-CB 3.32Å; R228-I231 PolarHBondContact O-N 3.49Å; L229-I231 VanDerWaalsContact C-N 3.32Å; L229-I231 PolarHBondContact O-N 2.9Å; I231-R233 VanDerWaalsContact C-N 3.28Å; I231-R233 PolarHBondContact O-N 2.72Å; I231-S234 WeakPolarHBondContact O-CA 3.37Å; I231-S234 WeakPolarHBondContact O-CB 3.06Å; I231-S234 PolarHBondContact O-N 3.08Å; I231-C235 WeakPolarHBondContact O-CB 3.36Å; I231-C235 PolarHBondContact O-N 3.07Å; I231-C235 PolarHBondContact O-SG 3.28Å; I231-P332 HydrophobicContact CB-CB 4.48Å; I231-P332 HydrophobicContact CD1-CB 3.98Å; I231-P332 WeakPolarHBondContact CD1-O 3.45Å; I231-P332 HydrophobicContact CG1-CB 4.4Å; I231-P332 HydrophobicContact CG2-CB 3.39Å; I231-P332 HydrophobicContact CG2-CG 4.39Å; I231-V333 HydrophobicContact CD1-CB 4.46Å; I231-V333 HydrophobicContact CD1-CG2 4.07Å; I231-A336 HydrophobicContact CD1-CB 3.82Å; I231-A336 HydrophobicContact CG1-CB 4.04Å
232E67Low68.6Low98 Ų9874.1 Ų74.146%0.45835%0.351SS..Hα-helixtrans-55.5-44.8-175.4-78.1172.9-172.900111.2R228 L229 S234 H236R228-E232 WeakPolarHBondContact O-CG 3.42Å; R228-E232 PolarHBondContact O-N 3.07Å; L229-E232 PolarHBondContact O-N 2.92Å; E232-S234 VanDerWaalsContact C-N 3.33Å; E232-S234 PolarHBondContact O-N 3.23Å; E232-H236 WeakPolarHBondContact O-CB 3.48Å; E232-H236 PolarHBondContact O-N 2.88Å
233R69.8Low68.8Low195 Ų19573.6 Ų73.674%0.73635%0.345SS*.Hα-helixtrans-61.8-39.1176.4-175.1176.4139.6175.6-5.1112.8L229 I231 Y237L229-R233 WeakPolarHBondContact O-CB 3.28Å; L229-R233 PolarHBondContact O-N 2.65Å; L229-R233 VanDerWaalsContact O-N 3.12Å; I231-R233 VanDerWaalsContact C-N 3.28Å; I231-R233 PolarHBondContact O-N 2.72Å; R233-Y237 PolarHBondContact O-N 2.99Å
234S66.9Low68.9Low19 Ų1978 Ų7813%0.13338%0.375CS..Hα-helixtrans-74.9-45.8-179.2-57.60000112.2L230 I231 E232 Y237 F238L230-S234 WeakPolarHBondContact O-CB 3.26Å; L230-S234 PolarHBondContact O-N 2.75Å; L230-S234 PolarHBondContact O-OG 3.37Å; I231-S234 WeakPolarHBondContact O-CA 3.37Å; I231-S234 WeakPolarHBondContact O-CB 3.06Å; I231-S234 PolarHBondContact O-N 3.08Å; E232-S234 VanDerWaalsContact C-N 3.33Å; E232-S234 PolarHBondContact O-N 3.23Å; S234-Y237 PolarHBondContact O-N 3.47Å; S234-F238 PolarHBondContact O-N 3.02Å; S234-F238 VanDerWaalsContact O-N 3.16Å
235C65.3Low69.2Low21 Ų2179.6 Ų79.614%0.14240%0.398CS..Hα-helixtrans-65-44.3178.7-69.90000111.4I231 Y237 F238 L239 F295I231-C235 WeakPolarHBondContact O-CB 3.36Å; I231-C235 PolarHBondContact O-N 3.07Å; I231-C235 PolarHBondContact O-SG 3.28Å; C235-Y237 VanDerWaalsContact C-N 3.34Å; C235-Y237 PolarHBondContact O-N 3.44Å; C235-F238 PolarHBondContact O-N 3.28Å; C235-L239 HydrophobicContact CB-CD1 4.47Å; C235-L239 WeakPolarHBondContact O-CB 3.42Å; C235-L239 VanDerWaalsContact O-CG 3.29Å; C235-L239 WeakPolarHBondContact O-CG 3.39Å; C235-L239 PolarHBondContact O-N 3.28Å; C235-F295 HydrophobicContact CB-CE1 4.2Å; C235-F295 HydrophobicContact CB-CZ 4.29Å; C235-F295 VanDerWaalsContact SG-CZ 3.59Å
236H65.1Low69.9Low127 Ų12784 Ų8459%0.58841%0.408SS*.Hα-helixtrans-60.1-44.2178.3-175-96.4000111.6E232 F238 L240E232-H236 WeakPolarHBondContact O-CB 3.48Å; E232-H236 PolarHBondContact O-N 2.88Å; H236-F238 VanDerWaalsContact C-N 3.34Å; H236-F238 PolarHBondContact O-N 3.46Å; H236-L240 WeakPolarHBondContact CE1-CD1 3.04Å; H236-L240 WeakPolarHBondContact O-CB 3.48Å; H236-L240 VanDerWaalsContact O-CG 3.27Å; H236-L240 WeakPolarHBondContact O-CG 3.4Å; H236-L240 PolarHBondContact O-N 3.27Å
237Y63.9Low70.3Confident122 Ų12279.6 Ų79.648%0.47839%0.394SS..Hα-helixtrans-62.9-39.1177.4-174.5-92000112.8R233 S234 C235 K241R233-Y237 PolarHBondContact O-N 2.99Å; S234-Y237 PolarHBondContact O-N 3.47Å; C235-Y237 VanDerWaalsContact C-N 3.34Å; C235-Y237 PolarHBondContact O-N 3.44Å; Y237-K241 PolarHBondContact OH-NZ 2.87Å
238F68.8Low71Confident7 Ų783.5 Ų83.53%0.03141%0.41CS..Hα-helixtrans-77-50.6-178.3-171.2-101.7000112.6S234 C235 H236 L240 K241 I242 N250 R253 L254 F295S234-F238 PolarHBondContact O-N 3.02Å; S234-F238 VanDerWaalsContact O-N 3.16Å; C235-F238 PolarHBondContact O-N 3.28Å; H236-F238 VanDerWaalsContact C-N 3.34Å; H236-F238 PolarHBondContact O-N 3.46Å; F238-L240 VanDerWaalsContact C-N 3.27Å; F238-L240 PolarHBondContact O-N 3.18Å; F238-K241 PolarHBondContact O-N 3.48Å; F238-I242 HydrophobicContact CD1-CD1 3.55Å; F238-I242 HydrophobicContact CD1-CG1 3.65Å; F238-I242 HydrophobicContact CE1-CD1 3.26Å; F238-I242 HydrophobicContact CE1-CG1 3.36Å; F238-I242 HydrophobicContact CG-CG1 4.46Å; F238-I242 HydrophobicContact CZ-CD1 4.26Å; F238-I242 HydrophobicContact CZ-CG1 3.96Å; F238-I242 WeakPolarHBondContact O-CG1 3.49Å; F238-I242 PolarHBondContact O-N 3.39Å; F238-N250 HydrophobicContact CZ-CB 4.41Å; F238-R253 HydrophobicContact CD2-CB 4.08Å; F238-R253 HydrophobicContact CE2-CB 3.7Å; F238-L254 HydrophobicContact CD1-CD2 4.29Å; F238-L254 HydrophobicContact CD2-CD2 3.66Å; F238-L254 HydrophobicContact CD2-CG 4.31Å; F238-L254 HydrophobicContact CE1-CD2 3.95Å; F238-L254 HydrophobicContact CE1-CG 4.45Å; F238-L254 HydrophobicContact CE2-CD1 4.46Å; F238-L254 HydrophobicContact CE2-CD2 3.27Å; F238-L254 HydrophobicContact CE2-CG 3.46Å; F238-L254 VanDerWaalsContact CE2-CG 3.46Å; F238-L254 HydrophobicContact CG-CD2 4.16Å; F238-L254 HydrophobicContact CZ-CD1 4.08Å; F238-L254 HydrophobicContact CZ-CD2 3.44Å; F238-L254 VanDerWaalsContact CZ-CD2 3.44Å; F238-L254 HydrophobicContact CZ-CG 3.56Å; F238-F295 HydrophobicContact CB-CE1 4.23Å; F238-F295 HydrophobicContact CB-CZ 4.25Å; F238-F295 HydrophobicContact CD1-CB 4Å; F238-F295 AromaticContact CD1-CD1 3.41Å; F238-F295 HydrophobicContact CD1-CD1 3.41Å; F238-F295 VanDerWaalsContact CD1-CD1 3.41Å; F238-F295 HydrophobicContact CD1-CD2 4.08Å; F238-F295 AromaticContact CD1-CE1 3.8Å; F238-F295 HydrophobicContact CD1-CE1 3.8Å; F238-F295 HydrophobicContact CD1-CE2 4.43Å; F238-F295 AromaticContact CD1-CG 3.57Å; F238-F295 HydrophobicContact CD1-CG 3.57Å; F238-F295 HydrophobicContact CD1-CZ 4.3Å; F238-F295 HydrophobicContact CE1-CB 3.56Å; F238-F295 AromaticContact CE1-CD1 3.91Å; F238-F295 HydrophobicContact CE1-CD1 3.91Å; F238-F295 HydrophobicContact CE1-CD2 4.3Å; F238-F295 AromaticContact CE1-CG 3.68Å; F238-F295 HydrophobicContact CE1-CG 3.68Å; F238-F295 HydrophobicContact CG-CD1 4.34Å; F238-F295 HydrophobicContact CG-CE1 4.35Å; F238-F295 HydrophobicContact CG-CG 4.44Å; F238-F295 HydrophobicContact CG-CZ 4.49Å; F238-F295 HydrophobicContact CZ-CB 4.38Å
239L65.5Low71.7Confident109 Ų10980.2 Ų80.257%0.57140%0.402SS*.Hα-helixtrans-58.7-36.7-176.5-72173.8000112.5C235 K241 I242C235-L239 HydrophobicContact CB-CD1 4.47Å; C235-L239 WeakPolarHBondContact O-CB 3.42Å; C235-L239 VanDerWaalsContact O-CG 3.29Å; C235-L239 WeakPolarHBondContact O-CG 3.39Å; C235-L239 PolarHBondContact O-N 3.28Å; L239-K241 PolarHBondContact O-N 3.47Å; L239-K241 VanDerWaalsContact O-N 3.09Å; L239-I242 HydrophobicContact CD2-CD1 3.91Å
240L60.4Low72.4Confident123 Ų12375.2 Ų75.264%0.64438%0.376SS*.THydrogen-bonded Turntrans-62.3-15.3176.3-75.6176.3000114.1H236 F238H236-L240 WeakPolarHBondContact CE1-CD1 3.04Å; H236-L240 WeakPolarHBondContact O-CB 3.48Å; H236-L240 VanDerWaalsContact O-CG 3.27Å; H236-L240 WeakPolarHBondContact O-CG 3.4Å; H236-L240 PolarHBondContact O-N 3.27Å; F238-L240 VanDerWaalsContact C-N 3.27Å; F238-L240 PolarHBondContact O-N 3.18Å
241K63Low73.3Confident88 Ų8873.6 Ų73.638%0.38337%0.367SS..THydrogen-bonded Turntrans-129.211.4-172.1-55.5-170.1-178.31790114.6Y237 F238 L239 S243 R253Y237-K241 PolarHBondContact OH-NZ 2.87Å; F238-K241 PolarHBondContact O-N 3.48Å; L239-K241 PolarHBondContact O-N 3.47Å; L239-K241 VanDerWaalsContact O-N 3.09Å; K241-S243 PolarHBondContact O-N 2.99Å; K241-R253 VanDerWaalsContact CB-NH1 3.29Å; K241-R253 PolarHBondContact O-NE 2.91Å
242I68.7Low74.3Confident62 Ų6275.7 Ų75.732%0.31839%0.386SS..PPolyproline II helixtrans-70.2120.3173.9-61.7179.3000108.8F238 L239F238-I242 HydrophobicContact CD1-CD1 3.55Å; F238-I242 HydrophobicContact CD1-CG1 3.65Å; F238-I242 HydrophobicContact CE1-CD1 3.26Å; F238-I242 HydrophobicContact CE1-CG1 3.36Å; F238-I242 HydrophobicContact CG-CG1 4.46Å; F238-I242 HydrophobicContact CZ-CD1 4.26Å; F238-I242 HydrophobicContact CZ-CG1 3.96Å; F238-I242 WeakPolarHBondContact O-CG1 3.49Å; F238-I242 PolarHBondContact O-N 3.39Å; L239-I242 HydrophobicContact CD2-CD1 3.91Å
243S73.1Confident75.2Confident37 Ų3775 Ų7526%0.25938%0.379SS..PPolyproline II helixtrans-98.6118.1167.2-63.90000108.8K241 R246 N250K241-S243 PolarHBondContact O-N 2.99Å; S243-R246 PolarHBondContact O-N 3.39Å; S243-N250 PolarHBondContact N-OD1 3.44Å; S243-N250 PolarHBondContact O-ND2 3.39Å
244P72.7Confident76.3Confident118 Ų11865.7 Ų65.777%0.76634%0.344SS*.THydrogen-bonded Turntrans-60.614417724.4-31.8000110.5R246P244-R246 PolarHBondContact O-N 2.9Å
245G74.2Confident77.4Confident64 Ų6465.6 Ų65.666%0.6634%0.342SS*.THydrogen-bonded Turntrans76.9-11.9-178.700000116.1I247G245-I247 PolarHBondContact O-N 3.21Å
246R84.4Confident78.5Confident135 Ų13569.8 Ų69.851%0.50936%0.358SS..  trans-9763.9179.8-58.7-164.2-178.7-171.30.9112.6S243 P244 K248 E249 N250S243-R246 PolarHBondContact O-N 3.39Å; P244-R246 PolarHBondContact O-N 2.9Å; R246-K248 VanDerWaalsContact C-N 3.33Å; R246-K248 PolarHBondContact O-N 2.89Å; R246-E249 HydrophobicContact CB-CB 4.12Å; R246-E249 HydrophobicContact CB-CG 4.31Å; R246-E249 WeakPolarHBondContact CD-OE1 3.4Å; R246-E249 WeakPolarHBondContact CD-OE2 3.26Å; R246-E249 IonicContact CZ-OE1 2.61Å; R246-E249 IonicContact NE-OE1 3.81Å; R246-E249 IonicContact NE-OE2 2.71Å; R246-E249 IonicContact NH1-OE1 3.9Å; R246-E249 PolarHBondContact NH1-OE1 2.82Å; R246-E249 IonicContact NH1-OE2 2.95Å; R246-E249 PolarHBondContact NH1-OE2 3.36Å; R246-E249 PolarHBondContact O-N 3.37Å; R246-N250 PolarHBondContact O-N 3.19Å; R246-N250 PolarHBondContact O-ND2 3.16Å
247I87.8Confident79.6Confident32 Ų3264.5 Ų64.516%0.16433%0.334CS..Hα-helixtrans-56.6-41.3-172.5-167.1163.3000113.5G245 N250 A251 L297 P302 L395G245-I247 PolarHBondContact O-N 3.21Å; I247-N250 PolarHBondContact O-N 3.39Å; I247-A251 VanDerWaalsContact O-CB 3.26Å; I247-A251 WeakPolarHBondContact O-CB 3.47Å; I247-A251 PolarHBondContact O-N 3.03Å; I247-L297 HydrophobicContact CG1-CD1 3.98Å; I247-L297 HydrophobicContact CG1-CG 4.17Å; I247-P302 HydrophobicContact CD1-CB 3.93Å; I247-P302 HydrophobicContact CD1-CG 4.21Å; I247-L395 HydrophobicContact CD1-CD2 4.32Å; I247-L395 HydrophobicContact CG1-CD2 4.08Å
248K88Confident80.9Confident83 Ų8358.7 Ų58.736%0.36131%0.311SS..Hα-helixtrans-68.2-39.3-179.9-68.6-176.6173.3179.10112.7R246 A251 A252 D398 V399R246-K248 VanDerWaalsContact C-N 3.33Å; R246-K248 PolarHBondContact O-N 2.89Å; K248-A251 WeakPolarHBondContact O-CB 3.3Å; K248-A251 PolarHBondContact O-N 3.21Å; K248-A252 PolarHBondContact O-N 3.26Å; K248-D398 IonicContact NZ-OD2 2.72Å; K248-D398 PolarHBondContact NZ-OD2 2.73Å; K248-V399 HydrophobicContact CD-CG2 3.97Å
249E87Confident81.9Confident83 Ų8358.6 Ų58.639%0.38831%0.311SS..Hα-helixtrans-66.5-44.2175.1-68.2-177.7-169.500111.4R246 A251 A252 R253R246-E249 HydrophobicContact CB-CB 4.12Å; R246-E249 HydrophobicContact CB-CG 4.31Å; R246-E249 WeakPolarHBondContact CD-OE1 3.4Å; R246-E249 WeakPolarHBondContact CD-OE2 3.26Å; R246-E249 IonicContact CZ-OE1 2.61Å; R246-E249 IonicContact NE-OE1 3.81Å; R246-E249 IonicContact NE-OE2 2.71Å; R246-E249 IonicContact NH1-OE1 3.9Å; R246-E249 PolarHBondContact NH1-OE1 2.82Å; R246-E249 IonicContact NH1-OE2 2.95Å; R246-E249 PolarHBondContact NH1-OE2 3.36Å; R246-E249 PolarHBondContact O-N 3.37Å; E249-A251 VanDerWaalsContact C-N 3.31Å; E249-A251 PolarHBondContact O-N 2.98Å; E249-A252 PolarHBondContact O-N 3.4Å; E249-R253 WeakPolarHBondContact O-CG 3.48Å; E249-R253 PolarHBondContact O-N 2.95Å; E249-R253 VanDerWaalsContact O-N 3.09Å
250N88.4Confident82.9Confident13 Ų1355.1 Ų55.17%0.0730%0.296CS..Hα-helixtrans-63.8-38.7176.2-66-26.2000111.1F238 S243 R246 I247 R253 L254 L297F238-N250 HydrophobicContact CZ-CB 4.41Å; S243-N250 PolarHBondContact N-OD1 3.44Å; S243-N250 PolarHBondContact O-ND2 3.39Å; R246-N250 PolarHBondContact O-N 3.19Å; R246-N250 PolarHBondContact O-ND2 3.16Å; I247-N250 PolarHBondContact O-N 3.39Å; N250-R253 PolarHBondContact O-N 2.84Å; N250-L254 WeakPolarHBondContact O-CG 3.38Å; N250-L254 PolarHBondContact O-N 3.41Å; N250-L297 HydrophobicContact CB-CD1 3.68Å
251A90.9Very high84.2Confident0 Ų049.7 Ų49.70%027%0.267CS..Hα-helixtrans-60.9-43.8173.400000112I247 K248 E249 R253 L254 L255 F288 L297 L395 F396I247-A251 VanDerWaalsContact O-CB 3.26Å; I247-A251 WeakPolarHBondContact O-CB 3.47Å; I247-A251 PolarHBondContact O-N 3.03Å; K248-A251 WeakPolarHBondContact O-CB 3.3Å; K248-A251 PolarHBondContact O-N 3.21Å; E249-A251 VanDerWaalsContact C-N 3.31Å; E249-A251 PolarHBondContact O-N 2.98Å; A251-R253 VanDerWaalsContact C-N 3.33Å; A251-R253 PolarHBondContact O-N 3.25Å; A251-L254 PolarHBondContact O-N 3.23Å; A251-L255 WeakPolarHBondContact O-CB 3.25Å; A251-L255 PolarHBondContact O-N 3.06Å; A251-F288 HydrophobicContact CB-CZ 4.09Å; A251-F288 WeakPolarHBondContact O-CE2 3.25Å; A251-L297 HydrophobicContact CB-CD2 4.15Å; A251-L395 HydrophobicContact CB-CB 4.22Å; A251-L395 HydrophobicContact CB-CD1 3.89Å; A251-L395 HydrophobicContact CB-CD2 4.28Å; A251-L395 HydrophobicContact CB-CG 4.36Å; A251-F396 HydrophobicContact CB-CE1 4.01Å; A251-F396 HydrophobicContact CB-CZ 3.88Å
252A89.2Confident85.5Confident54 Ų5445.5 Ų45.545%0.44625%0.248SC..Hα-helixtrans-61.6-40.4176.200000112.3K248 E249 L255 F256K248-A252 PolarHBondContact O-N 3.26Å; E249-A252 PolarHBondContact O-N 3.4Å; A252-L255 PolarHBondContact O-N 2.74Å; A252-F256 PolarHBondContact O-N 2.86Å
253R87Confident86.5Confident83 Ų8347.3 Ų47.331%0.31325%0.254SS..Hα-helixtrans-63.7-41.9174.1-67.2174-170.7-79.23.9112.2F238 K241 E249 N250 A251 L255 F256 L257F238-R253 HydrophobicContact CD2-CB 4.08Å; F238-R253 HydrophobicContact CE2-CB 3.7Å; K241-R253 VanDerWaalsContact CB-NH1 3.29Å; K241-R253 PolarHBondContact O-NE 2.91Å; E249-R253 WeakPolarHBondContact O-CG 3.48Å; E249-R253 PolarHBondContact O-N 2.95Å; E249-R253 VanDerWaalsContact O-N 3.09Å; N250-R253 PolarHBondContact O-N 2.84Å; A251-R253 VanDerWaalsContact C-N 3.33Å; A251-R253 PolarHBondContact O-N 3.25Å; R253-L255 VanDerWaalsContact C-N 3.34Å; R253-F256 WeakPolarHBondContact O-CB 3.46Å; R253-F256 PolarHBondContact O-N 3.36Å; R253-L257 PolarHBondContact O-N 3.1Å
254L91.1Very high87Confident0 Ų047.6 Ų47.60%025%0.254CS..Hα-helixtrans-67.4-35.7175.5-70.8-178.5000111.9F238 N250 A251 F256 L257 T258 F288 L291 F295 L297F238-L254 HydrophobicContact CD1-CD2 4.29Å; F238-L254 HydrophobicContact CD2-CD2 3.66Å; F238-L254 HydrophobicContact CD2-CG 4.31Å; F238-L254 HydrophobicContact CE1-CD2 3.95Å; F238-L254 HydrophobicContact CE1-CG 4.45Å; F238-L254 HydrophobicContact CE2-CD1 4.46Å; F238-L254 HydrophobicContact CE2-CD2 3.27Å; F238-L254 HydrophobicContact CE2-CG 3.46Å; F238-L254 VanDerWaalsContact CE2-CG 3.46Å; F238-L254 HydrophobicContact CG-CD2 4.16Å; F238-L254 HydrophobicContact CZ-CD1 4.08Å; F238-L254 HydrophobicContact CZ-CD2 3.44Å; F238-L254 VanDerWaalsContact CZ-CD2 3.44Å; F238-L254 HydrophobicContact CZ-CG 3.56Å; N250-L254 WeakPolarHBondContact O-CG 3.38Å; N250-L254 PolarHBondContact O-N 3.41Å; A251-L254 PolarHBondContact O-N 3.23Å; L254-F256 VanDerWaalsContact C-N 3.33Å; L254-L257 CarbonylContact O-C 3.57Å; L254-L257 WeakPolarHBondContact O-CB 3.49Å; L254-L257 PolarHBondContact O-N 3.28Å; L254-L257 VanDerWaalsContact O-N 3.15Å; L254-T258 PolarHBondContact O-N 3.47Å; L254-T258 PolarHBondContact O-OG1 3.03Å; L254-T258 VanDerWaalsContact O-OG1 3.07Å; L254-F288 HydrophobicContact CB-CD2 4.28Å; L254-F288 HydrophobicContact CB-CE2 3.74Å; L254-F288 HydrophobicContact CB-CZ 4.46Å; L254-L291 HydrophobicContact CD2-CB 4.28Å; L254-F295 HydrophobicContact CD2-CB 4.41Å; L254-F295 HydrophobicContact CD2-CD2 3.57Å; L254-F295 HydrophobicContact CD2-CE2 4.19Å; L254-F295 HydrophobicContact CD2-CG 4.25Å; L254-L297 HydrophobicContact CD1-CB 4.01Å; L254-L297 HydrophobicContact CD1-CD1 4.21Å; L254-L297 HydrophobicContact CD1-CD2 4.05Å; L254-L297 HydrophobicContact CD1-CG 4.3Å
255L90.6Very high87.8Confident16 Ų1642.2 Ų42.28%0.08422%0.219CC..Hα-helixtrans-63-42.1174.3-174.864.4000111A251 A252 R253 L257 T258 T259 W284 F288 F396 M405 L408 V409A251-L255 WeakPolarHBondContact O-CB 3.25Å; A251-L255 PolarHBondContact O-N 3.06Å; A252-L255 PolarHBondContact O-N 2.74Å; R253-L255 VanDerWaalsContact C-N 3.34Å; L255-L257 VanDerWaalsContact C-N 3.32Å; L255-L257 PolarHBondContact O-N 2.97Å; L255-T258 WeakPolarHBondContact O-CB 3.4Å; L255-T258 PolarHBondContact O-N 3.18Å; L255-T259 WeakPolarHBondContact O-CG2 3.46Å; L255-T259 PolarHBondContact O-N 3.13Å; L255-T259 VanDerWaalsContact O-N 3.15Å; L255-W284 HydrophobicContact CD1-CE3 4.06Å; L255-W284 HydrophobicContact CD1-CZ3 4.18Å; L255-F288 HydrophobicContact CB-CD2 4.41Å; L255-F288 HydrophobicContact CB-CE2 4.22Å; L255-F288 HydrophobicContact CD1-CD2 4.4Å; L255-F396 HydrophobicContact CB-CE1 4.36Å; L255-F396 HydrophobicContact CB-CZ 4.04Å; L255-F396 HydrophobicContact CD2-CD1 4.41Å; L255-F396 HydrophobicContact CD2-CE1 3.94Å; L255-F396 HydrophobicContact CD2-CZ 4.04Å; L255-F396 HydrophobicContact CG-CZ 4.45Å; L255-M405 HydrophobicContact CD2-SD 4.05Å; L255-L408 HydrophobicContact CD2-CD2 4.41Å; L255-V409 HydrophobicContact CD1-CG2 3.81Å
256F88.7Confident88.4Confident110 Ų11044.7 Ų44.748%0.48221%0.214SC..Hα-helixtrans-59.2-44.6171.5-177.4-99.1000111.3A252 R253 L254 T258 T259 S260A252-F256 PolarHBondContact O-N 2.86Å; R253-F256 WeakPolarHBondContact O-CB 3.46Å; R253-F256 PolarHBondContact O-N 3.36Å; L254-F256 VanDerWaalsContact C-N 3.33Å; F256-T258 VanDerWaalsContact C-N 3.34Å; F256-T258 PolarHBondContact O-N 3.33Å; F256-T259 CarbonylContact O-C 3.28Å; F256-T259 PolarHBondContact O-N 2.81Å; F256-T259 PolarHBondContact O-OG1 3.42Å; F256-S260 PolarHBondContact O-N 3.48Å; F256-S260 PolarHBondContact O-OG 3.44Å
257L88.3Confident88.6Confident15 Ų1540.4 Ų40.48%0.07920%0.199CC..Hα-helixtrans-63-37.9176.4-174.858.7000112.7R253 L254 L255 T259 S260 W261 L291 F295R253-L257 PolarHBondContact O-N 3.1Å; L254-L257 CarbonylContact O-C 3.57Å; L254-L257 WeakPolarHBondContact O-CB 3.49Å; L254-L257 PolarHBondContact O-N 3.28Å; L254-L257 VanDerWaalsContact O-N 3.15Å; L255-L257 VanDerWaalsContact C-N 3.32Å; L255-L257 PolarHBondContact O-N 2.97Å; L257-T259 PolarHBondContact O-N 3.32Å; L257-S260 PolarHBondContact O-N 3.48Å; L257-W261 HydrophobicContact CD1-CB 4.14Å; L257-W261 WeakPolarHBondContact O-CB 3.39Å; L257-W261 PolarHBondContact O-N 2.92Å; L257-L291 HydrophobicContact CB-CD1 4.24Å; L257-L291 HydrophobicContact CD2-CD1 4.3Å; L257-L291 HydrophobicContact CD2-CD2 3.75Å; L257-L291 HydrophobicContact CG-CD1 4.05Å; L257-L291 HydrophobicContact CG-CD2 4.21Å; L257-F295 HydrophobicContact CD2-CE2 4Å
258T91.4Very high88.7Confident1 Ų138.9 Ų38.91%0.00619%0.191CC..Hα-helixtrans-56.1-35.3172-61.10000111.7L254 L255 F256 P262 W284 L287 L291L254-T258 PolarHBondContact O-N 3.47Å; L254-T258 PolarHBondContact O-OG1 3.03Å; L254-T258 VanDerWaalsContact O-OG1 3.07Å; L255-T258 WeakPolarHBondContact O-CB 3.4Å; L255-T258 PolarHBondContact O-N 3.18Å; F256-T258 VanDerWaalsContact C-N 3.34Å; F256-T258 PolarHBondContact O-N 3.33Å; T258-P262 WeakPolarHBondContact O-CD 3.39Å; T258-P262 VanDerWaalsContact O-CG 3.29Å; T258-P262 WeakPolarHBondContact O-CG 3.16Å; T258-W284 HydrophobicContact CG2-CB 4.32Å; T258-L287 HydrophobicContact CG2-CB 3.86Å; T258-L287 HydrophobicContact CG2-CD1 4.32Å; T258-L291 WeakPolarHBondContact OG1-CD1 2.95Å
259T89.4Confident88.8Confident5 Ų537.8 Ų37.83%0.03119%0.192CC..Hα-helixtrans-84.3-33.1177.767.10000113.3L255 F256 L257 V409 V412 Y413L255-T259 WeakPolarHBondContact O-CG2 3.46Å; L255-T259 PolarHBondContact O-N 3.13Å; L255-T259 VanDerWaalsContact O-N 3.15Å; F256-T259 CarbonylContact O-C 3.28Å; F256-T259 PolarHBondContact O-N 2.81Å; F256-T259 PolarHBondContact O-OG1 3.42Å; L257-T259 PolarHBondContact O-N 3.32Å; T259-V409 HydrophobicContact CG2-CB 4.21Å; T259-V409 HydrophobicContact CG2-CG1 3.88Å; T259-V409 HydrophobicContact CG2-CG2 4.27Å; T259-V412 HydrophobicContact CG2-CB 4.08Å; T259-V412 HydrophobicContact CG2-CG1 4Å; T259-V412 WeakPolarHBondContact OG1-CG1 3.44Å; T259-Y413 WeakPolarHBondContact O-CD2 3.35Å
260S86.3Confident89Confident36 Ų3639.5 Ų39.525%0.25220%0.2SC..Hα-helixtrans-88-33-174.866.60000113.2F256 L257 K263F256-S260 PolarHBondContact O-N 3.48Å; F256-S260 PolarHBondContact O-OG 3.44Å; L257-S260 PolarHBondContact O-N 3.48Å; S260-K263 WeakPolarHBondContact O-CB 3.48Å; S260-K263 PolarHBondContact O-N 3.31Å
261W87.6Confident89.1Confident8 Ų839.7 Ų39.73%0.0320%0.201CC..G310 helixtrans-62.1-40.5-176.1-17284.3000113.8L257 K263 T264 V265 K339 I340 L343L257-W261 HydrophobicContact CD1-CB 4.14Å; L257-W261 WeakPolarHBondContact O-CB 3.39Å; L257-W261 PolarHBondContact O-N 2.92Å; W261-K263 PolarHBondContact O-N 2.89Å; W261-K263 VanDerWaalsContact O-N 3.13Å; W261-T264 WeakPolarHBondContact O-CB 3.4Å; W261-T264 PolarHBondContact O-N 3.3Å; W261-T264 PolarHBondContact O-OG1 3.17Å; W261-V265 HydrophobicContact CE3-CG2 4.22Å; W261-V265 HydrophobicContact CH2-CG2 3.72Å; W261-V265 HydrophobicContact CZ2-CG2 4.09Å; W261-V265 HydrophobicContact CZ3-CG2 3.79Å; W261-K339 HydrophobicContact CE3-CB 4.33Å; W261-K339 HydrophobicContact CH2-CB 3.54Å; W261-K339 HydrophobicContact CZ2-CB 4.31Å; W261-K339 HydrophobicContact CZ3-CB 3.54Å; W261-I340 HydrophobicContact CH2-CG1 3.81Å; W261-L343 HydrophobicContact CE3-CD1 3.82Å; W261-L343 HydrophobicContact CH2-CD1 4.43Å; W261-L343 HydrophobicContact CZ3-CD1 3.39Å; W261-L343 HydrophobicContact CZ3-CG 4.21Å
262P91Very high89.3Confident0 Ų042.4 Ų42.40%022%0.22CC..G310 helixtrans-59.2-28.8179.7-23.734.3000114T258 T264 V265 F268 L280 L287 L343 Y413T258-P262 WeakPolarHBondContact O-CD 3.39Å; T258-P262 VanDerWaalsContact O-CG 3.29Å; T258-P262 WeakPolarHBondContact O-CG 3.16Å; P262-T264 PolarHBondContact O-N 2.75Å; P262-V265 PolarHBondContact O-N 3.24Å; P262-V265 VanDerWaalsContact O-N 3.13Å; P262-F268 HydrophobicContact CB-CD1 3.61Å; P262-F268 HydrophobicContact CB-CE1 3.53Å; P262-F268 HydrophobicContact CB-CG 4.43Å; P262-F268 HydrophobicContact CB-CZ 4.31Å; P262-F268 WeakPolarHBondContact O-CD1 3.36Å; P262-L280 HydrophobicContact CB-CD2 4.24Å; P262-L280 HydrophobicContact CG-CD2 3.76Å; P262-L287 HydrophobicContact CG-CD1 4.45Å; P262-L343 HydrophobicContact CB-CD1 3.78Å; P262-L343 HydrophobicContact CB-CD2 3.82Å; P262-L343 HydrophobicContact CB-CG 4.49Å; P262-L343 HydrophobicContact CG-CD1 4.18Å; P262-L343 HydrophobicContact CG-CD2 3.86Å; P262-Y413 HydrophobicContact CB-CE2 4.01Å
263K88.8Confident89.5Confident101 Ų10146.7 Ų46.744%0.43923%0.23SC..G310 helixtrans-62.6-14.9175.2-59.5-174.1176.8-177.40113.7S260 W261 Y413S260-K263 WeakPolarHBondContact O-CB 3.48Å; S260-K263 PolarHBondContact O-N 3.31Å; W261-K263 PolarHBondContact O-N 2.89Å; W261-K263 VanDerWaalsContact O-N 3.13Å; K263-Y413 HydrophobicContact CD-CE2 4.27Å; K263-Y413 WeakPolarHBondContact CE-O 3.46Å; K263-Y413 HydrophobicContact CG-CD2 4.08Å; K263-Y413 HydrophobicContact CG-CE2 3.35Å; K263-Y413 PolarHBondContact NZ-O 3.12Å
264T85.1Confident89.8Confident42 Ų4246.3 Ų46.326%0.25825%0.245SC..G310 helixtrans-96.5-8.6-177.473.30000112.9L230 W261 P262L230-T264 HydrophobicContact CD2-CG2 4.19Å; L230-T264 VanDerWaalsContact CD2-OG1 3.24Å; L230-T264 WeakPolarHBondContact CD2-OG1 3.24Å; W261-T264 WeakPolarHBondContact O-CB 3.4Å; W261-T264 PolarHBondContact O-N 3.3Å; W261-T264 PolarHBondContact O-OG1 3.17Å; P262-T264 PolarHBondContact O-N 2.75Å
265V88.2Confident89.9Confident5 Ų549.7 Ų49.73%0.0326%0.261CS..  trans-97.5106.1178.3-179.40000108.7W261 P262 Q267 F268 T269 L343W261-V265 HydrophobicContact CE3-CG2 4.22Å; W261-V265 HydrophobicContact CH2-CG2 3.72Å; W261-V265 HydrophobicContact CZ2-CG2 4.09Å; W261-V265 HydrophobicContact CZ3-CG2 3.79Å; P262-V265 PolarHBondContact O-N 3.24Å; P262-V265 VanDerWaalsContact O-N 3.13Å; V265-Q267 VanDerWaalsContact C-N 3.35Å; V265-Q267 PolarHBondContact O-N 3.36Å; V265-F268 HydrophobicContact CB-CB 4.07Å; V265-F268 HydrophobicContact CG1-CB 4.08Å; V265-F268 WeakPolarHBondContact O-CB 3.43Å; V265-F268 PolarHBondContact O-N 2.9Å; V265-T269 PolarHBondContact O-N 2.87Å; V265-T269 VanDerWaalsContact O-N 3.12Å; V265-L343 HydrophobicContact CB-CD1 4.25Å; V265-L343 HydrophobicContact CG2-CD1 3.98Å
266H86.4Confident90.1Very high117 Ų11749.6 Ų49.654%0.54226%0.26SS..Hα-helixtrans-54.4-47.8-173.8-177.1-92.2000113.2F268 T269 E270H266-F268 PolarHBondContact O-N 3.24Å; H266-F268 VanDerWaalsContact O-N 3.16Å; H266-T269 WeakPolarHBondContact CA-OG1 3.5Å; H266-T269 PolarHBondContact O-N 3.42Å; H266-T269 PolarHBondContact O-OG1 2.97Å; H266-E270 IonicContact CE1-OE1 3.76Å; H266-E270 PolarHBondContact CE1-OE1 3.07Å; H266-E270 IonicContact CE1-OE2 2.65Å; H266-E270 VanDerWaalsContact ND1-CD 3.34Å; H266-E270 IonicContact ND1-OE1 3.97Å; H266-E270 IonicContact ND1-OE2 2.9Å; H266-E270 PolarHBondContact ND1-OE2 3.42Å; H266-E270 IonicContact NE2-OE1 2.92Å; H266-E270 WeakPolarHBondContact O-CG 3.47Å; H266-E270 PolarHBondContact O-N 3.28Å
267Q88.8Confident90.3Very high44 Ų4445.8 Ų45.821%0.20625%0.249CC..Hα-helixtrans-61.2-28.1-179-5788.4-20.400112.2V265 L344V265-Q267 VanDerWaalsContact C-N 3.35Å; V265-Q267 PolarHBondContact O-N 3.36Å; Q267-L344 HydrophobicContact CB-CD1 4.03Å; Q267-L344 HydrophobicContact CB-CD2 4.02Å
268F90.8Very high90.6Very high0 Ų050.4 Ų50.40%027%0.273CS..Hα-helixtrans-77.8-39.5174.9-178.5-101.6000111.5P262 V265 H266 E270 L271 Q276 I279 L280 L343 L344 Y413P262-F268 HydrophobicContact CB-CD1 3.61Å; P262-F268 HydrophobicContact CB-CE1 3.53Å; P262-F268 HydrophobicContact CB-CG 4.43Å; P262-F268 HydrophobicContact CB-CZ 4.31Å; P262-F268 WeakPolarHBondContact O-CD1 3.36Å; V265-F268 HydrophobicContact CB-CB 4.07Å; V265-F268 HydrophobicContact CG1-CB 4.08Å; V265-F268 WeakPolarHBondContact O-CB 3.43Å; V265-F268 PolarHBondContact O-N 2.9Å; H266-F268 PolarHBondContact O-N 3.24Å; H266-F268 VanDerWaalsContact O-N 3.16Å; F268-E270 VanDerWaalsContact C-N 3.25Å; F268-E270 PolarHBondContact O-N 3.13Å; F268-L271 HydrophobicContact CD2-CD1 3.96Å; F268-L271 HydrophobicContact CE2-CD1 4.38Å; F268-L271 WeakPolarHBondContact O-CB 3.5Å; F268-L271 WeakPolarHBondContact O-CG 3.48Å; F268-L271 PolarHBondContact O-N 3.28Å; F268-Q276 HydrophobicContact CD1-CG 4.43Å; F268-Q276 HydrophobicContact CE1-CB 4.07Å; F268-Q276 HydrophobicContact CE1-CG 3.91Å; F268-Q276 HydrophobicContact CE2-CB 4.38Å; F268-Q276 HydrophobicContact CE2-CG 4.27Å; F268-Q276 HydrophobicContact CZ-CB 3.69Å; F268-Q276 HydrophobicContact CZ-CG 3.81Å; F268-Q276 PolarHBondContact O-NE2 3.14Å; F268-I279 HydrophobicContact CE2-CB 4.16Å; F268-I279 HydrophobicContact CE2-CD1 4.13Å; F268-I279 HydrophobicContact CE2-CG2 4.02Å; F268-L280 HydrophobicContact CE1-CD1 4.24Å; F268-L280 HydrophobicContact CE1-CG 4.47Å; F268-L280 HydrophobicContact CZ-CD1 4.01Å; F268-L280 HydrophobicContact CZ-CD2 4.16Å; F268-L280 HydrophobicContact CZ-CG 3.84Å; F268-L343 HydrophobicContact CB-CD1 4.36Å; F268-L343 HydrophobicContact CD2-CB 3.88Å; F268-L343 HydrophobicContact CD2-CD1 4.47Å; F268-L343 HydrophobicContact CD2-CD2 3.98Å; F268-L343 HydrophobicContact CD2-CG 4.35Å; F268-L343 HydrophobicContact CE2-CB 4.46Å; F268-L343 HydrophobicContact CE2-CD2 3.88Å; F268-L343 HydrophobicContact CG-CB 4.38Å; F268-L343 HydrophobicContact CG-CD1 4.23Å; F268-L343 HydrophobicContact CG-CD2 4.37Å; F268-L343 HydrophobicContact CZ-CD2 4.19Å; F268-L344 HydrophobicContact CB-CD2 4.29Å; F268-Y413 HydrophobicContact CE1-CE2 4.11Å; F268-Y413 AromaticContact CE1-CZ 3.84Å; F268-Y413 WeakPolarHBondContact CE1-OH 3.43Å
269T90.9Very high90.7Very high61 Ų6151 Ų5137%0.37428%0.277SS..Hα-helixtrans-69.1-21.3178.5560000113.8V265 H266 L271 Q276V265-T269 PolarHBondContact O-N 2.87Å; V265-T269 VanDerWaalsContact O-N 3.12Å; H266-T269 WeakPolarHBondContact CA-OG1 3.5Å; H266-T269 PolarHBondContact O-N 3.42Å; H266-T269 PolarHBondContact O-OG1 2.97Å; T269-L271 VanDerWaalsContact C-N 3.31Å; T269-Q276 PolarHBondContact O-NE2 3.26Å
270E90.6Very high90.9Very high119 Ų11950.8 Ų50.856%0.55628%0.275SS*.THydrogen-bonded Turntrans-75.6-17.1173.6-72179.2131.500113.6H266 F268H266-E270 IonicContact CE1-OE1 3.76Å; H266-E270 PolarHBondContact CE1-OE1 3.07Å; H266-E270 IonicContact CE1-OE2 2.65Å; H266-E270 VanDerWaalsContact ND1-CD 3.34Å; H266-E270 IonicContact ND1-OE1 3.97Å; H266-E270 IonicContact ND1-OE2 2.9Å; H266-E270 PolarHBondContact ND1-OE2 3.42Å; H266-E270 IonicContact NE2-OE1 2.92Å; H266-E270 WeakPolarHBondContact O-CG 3.47Å; H266-E270 PolarHBondContact O-N 3.28Å; F268-E270 VanDerWaalsContact C-N 3.25Å; F268-E270 PolarHBondContact O-N 3.13Å
271L90.9Very high91.3Very high17 Ų1749.9 Ų49.99%0.08927%0.272CS..SBendtrans-69.3154.4176.5-57178.7000110.6F268 T269 Q275 Q276 I279 E347F268-L271 HydrophobicContact CD2-CD1 3.96Å; F268-L271 HydrophobicContact CE2-CD1 4.38Å; F268-L271 WeakPolarHBondContact O-CB 3.5Å; F268-L271 WeakPolarHBondContact O-CG 3.48Å; F268-L271 PolarHBondContact O-N 3.28Å; T269-L271 VanDerWaalsContact C-N 3.31Å; L271-Q275 HydrophobicContact CB-CB 4.08Å; L271-Q276 HydrophobicContact CB-CG 4.02Å; L271-Q276 PolarHBondContact O-NE2 3.05Å; L271-I279 HydrophobicContact CD1-CD1 3.8Å; L271-E347 HydrophobicContact CD2-CG 3.95Å
272S93.5Very high91.6Very high57 Ų5752.4 Ų52.440%0.39929%0.291SS..  trans-60.1150.1173.264.60000111.5A274 Q275 Q276S272-A274 PolarHBondContact O-N 3.46Å; S272-A274 VanDerWaalsContact O-N 3.13Å; S272-Q275 WeakPolarHBondContact O-CB 3.42Å; S272-Q275 PolarHBondContact O-N 3.11Å; S272-Q275 VanDerWaalsContact OG-CG 3.28Å; S272-Q275 WeakPolarHBondContact OG-CG 3.43Å; S272-Q275 PolarHBondContact OG-N 3.02Å; S272-Q275 PolarHBondContact OG-OE1 2.99Å; S272-Q276 WeakPolarHBondContact O-CG 3.43Å; S272-Q276 PolarHBondContact O-N 2.93Å
273E94Very high91.8Very high143 Ų14354.5 Ų54.567%0.66830%0.299SS*.Hα-helixtrans-55.2-34.7177.3-66.5-171.8165.900112.1Q276 A277 F414E273-Q276 PolarHBondContact O-N 3.04Å; E273-A277 VanDerWaalsContact O-CB 3.26Å; E273-A277 WeakPolarHBondContact O-CB 3.23Å; E273-A277 PolarHBondContact O-N 3.44Å; E273-F414 HydrophobicContact CB-CE1 4.07Å; E273-F414 HydrophobicContact CB-CZ 4.44Å; E273-F414 HydrophobicContact CG-CE1 4.16Å
274A93.7Very high92.1Very high75 Ų7549.8 Ų49.862%0.6228%0.278SS*.Hα-helixtrans-64.2-41.6175.300000112.7S272 N278S272-A274 PolarHBondContact O-N 3.46Å; S272-A274 VanDerWaalsContact O-N 3.13Å; A274-N278 VanDerWaalsContact O-CB 3.3Å; A274-N278 WeakPolarHBondContact O-CB 3.31Å; A274-N278 PolarHBondContact O-N 3.16Å
275Q93.1Very high92.7Very high71 Ų7148.6 Ų48.633%0.33227%0.27SS..Hα-helixtrans-66.9-45.8174.5-75.4165.8-60.400111L271 S272 A277 N278 I279 E347L271-Q275 HydrophobicContact CB-CB 4.08Å; S272-Q275 WeakPolarHBondContact O-CB 3.42Å; S272-Q275 PolarHBondContact O-N 3.11Å; S272-Q275 VanDerWaalsContact OG-CG 3.28Å; S272-Q275 WeakPolarHBondContact OG-CG 3.43Å; S272-Q275 PolarHBondContact OG-N 3.02Å; S272-Q275 PolarHBondContact OG-OE1 2.99Å; Q275-A277 PolarHBondContact O-N 3.2Å; Q275-N278 PolarHBondContact O-N 3.14Å; Q275-I279 WeakPolarHBondContact O-CD1 3.26Å; Q275-I279 VanDerWaalsContact O-CG1 3.27Å; Q275-I279 WeakPolarHBondContact O-CG1 3.42Å; Q275-I279 PolarHBondContact O-N 3.49Å; Q275-E347 PolarHBondContact NE2-OE1 3.12Å; Q275-E347 VanDerWaalsContact NE2-OE1 3.13Å
276Q94Very high93.2Very high15 Ų1548.7 Ų48.77%0.0727%0.27CS..Hα-helixtrans-57.6-48.5177.4-65.6-178.133.300111F268 T269 L271 S272 E273 N278 I279 L280 Y413 F414F268-Q276 HydrophobicContact CD1-CG 4.43Å; F268-Q276 HydrophobicContact CE1-CB 4.07Å; F268-Q276 HydrophobicContact CE1-CG 3.91Å; F268-Q276 HydrophobicContact CE2-CB 4.38Å; F268-Q276 HydrophobicContact CE2-CG 4.27Å; F268-Q276 HydrophobicContact CZ-CB 3.69Å; F268-Q276 HydrophobicContact CZ-CG 3.81Å; F268-Q276 PolarHBondContact O-NE2 3.14Å; T269-Q276 PolarHBondContact O-NE2 3.26Å; L271-Q276 HydrophobicContact CB-CG 4.02Å; L271-Q276 PolarHBondContact O-NE2 3.05Å; S272-Q276 WeakPolarHBondContact O-CG 3.43Å; S272-Q276 PolarHBondContact O-N 2.93Å; E273-Q276 PolarHBondContact O-N 3.04Å; Q276-N278 PolarHBondContact O-N 3.39Å; Q276-I279 PolarHBondContact O-N 3.32Å; Q276-L280 WeakPolarHBondContact O-CB 3.37Å; Q276-L280 WeakPolarHBondContact O-CG 3.26Å; Q276-L280 PolarHBondContact O-N 3.31Å; Q276-Y413 PolarHBondContact OE1-OH 2.73Å; Q276-F414 HydrophobicContact CB-CZ 4.09Å
277A93.8Very high93.6Very high30 Ų3043.2 Ų43.225%0.24825%0.245CC..Hα-helixtrans-61.6-41.7177.400000112.4E273 Q275 G281 C410 F414E273-A277 VanDerWaalsContact O-CB 3.26Å; E273-A277 WeakPolarHBondContact O-CB 3.23Å; E273-A277 PolarHBondContact O-N 3.44Å; Q275-A277 PolarHBondContact O-N 3.2Å; A277-G281 WeakPolarHBondContact O-CA 3.2Å; A277-G281 PolarHBondContact O-N 3.3Å; A277-C410 PolarHBondContact O-SG 3.03Å; A277-C410 VanDerWaalsContact O-SG 3.36Å; A277-F414 HydrophobicContact CB-CE2 3.66Å; A277-F414 HydrophobicContact CB-CZ 3.96Å
278N94.4Very high93.9Very high111 Ų11141.1 Ų41.159%0.59424%0.235SC*.Hα-helixtrans-64.5-44.2177.8179.560.9000111.8A274 Q275 Q276 S282A274-N278 VanDerWaalsContact O-CB 3.3Å; A274-N278 WeakPolarHBondContact O-CB 3.31Å; A274-N278 PolarHBondContact O-N 3.16Å; Q275-N278 PolarHBondContact O-N 3.14Å; Q276-N278 PolarHBondContact O-N 3.39Å; N278-S282 VanDerWaalsContact O-CB 3.29Å; N278-S282 WeakPolarHBondContact O-CB 3.39Å; N278-S282 PolarHBondContact O-N 3.26Å; N278-S282 PolarHBondContact O-OG 3.25Å
279I93.5Very high94.2Very high14 Ų1441.1 Ų41.17%0.07224%0.235CC..Hα-helixtrans-66.5-49.4-179.6-67.4162.4000110.3F268 L271 Q275 Q276 S282 R283 L343F268-I279 HydrophobicContact CE2-CB 4.16Å; F268-I279 HydrophobicContact CE2-CD1 4.13Å; F268-I279 HydrophobicContact CE2-CG2 4.02Å; L271-I279 HydrophobicContact CD1-CD1 3.8Å; Q275-I279 WeakPolarHBondContact O-CD1 3.26Å; Q275-I279 VanDerWaalsContact O-CG1 3.27Å; Q275-I279 WeakPolarHBondContact O-CG1 3.42Å; Q275-I279 PolarHBondContact O-N 3.49Å; Q276-I279 PolarHBondContact O-N 3.32Å; I279-S282 PolarHBondContact O-N 3.45Å; I279-R283 WeakPolarHBondContact O-CA 3.35Å; I279-R283 WeakPolarHBondContact O-CB 3.2Å; I279-R283 PolarHBondContact O-N 3.46Å; I279-L343 WeakPolarHBondContact CD1-O 3.37Å
280L94.3Very high94.5Very high0 Ų038.2 Ų38.20%022%0.217CC..Hα-helixtrans-64-48.5178.3-66.5173.1000111.2P262 F268 Q276 S282 R283 W284 L287 L343 V409 Y413P262-L280 HydrophobicContact CB-CD2 4.24Å; P262-L280 HydrophobicContact CG-CD2 3.76Å; F268-L280 HydrophobicContact CE1-CD1 4.24Å; F268-L280 HydrophobicContact CE1-CG 4.47Å; F268-L280 HydrophobicContact CZ-CD1 4.01Å; F268-L280 HydrophobicContact CZ-CD2 4.16Å; F268-L280 HydrophobicContact CZ-CG 3.84Å; Q276-L280 WeakPolarHBondContact O-CB 3.37Å; Q276-L280 WeakPolarHBondContact O-CG 3.26Å; Q276-L280 PolarHBondContact O-N 3.31Å; L280-S282 VanDerWaalsContact C-N 3.31Å; L280-S282 PolarHBondContact O-N 3.09Å; L280-R283 PolarHBondContact O-N 3.38Å; L280-W284 WeakPolarHBondContact O-CA 3.47Å; L280-W284 WeakPolarHBondContact O-CB 3.03Å; L280-W284 PolarHBondContact O-N 2.95Å; L280-L287 HydrophobicContact CD2-CD1 4.23Å; L280-L343 HydrophobicContact CD2-CD2 4.15Å; L280-V409 HydrophobicContact CB-CG1 4.13Å; L280-Y413 HydrophobicContact CD1-CD1 3.78Å; L280-Y413 HydrophobicContact CD1-CD2 3.45Å; L280-Y413 VanDerWaalsContact CD1-CD2 3.45Å; L280-Y413 HydrophobicContact CD1-CE1 4.15Å; L280-Y413 HydrophobicContact CD1-CE2 3.89Å; L280-Y413 HydrophobicContact CD1-CG 3.42Å; L280-Y413 VanDerWaalsContact CD1-CG 3.42Å
281G93.7Very high94.6Very high18 Ų1832.7 Ų32.719%0.18619%0.191CC..Hα-helixtrans-61-37.7-179.500000113.3A277 S406A277-G281 WeakPolarHBondContact O-CA 3.2Å; A277-G281 PolarHBondContact O-N 3.3Å; G281-S406 WeakPolarHBondContact O-CB 3.34Å
282S93.8Very high94.8Very high61 Ų6131.9 Ų31.943%0.42719%0.187SC..Hα-helixtrans-87.7-28.6-178.762.30000114.4N278 I279 L280 H285N278-S282 VanDerWaalsContact O-CB 3.29Å; N278-S282 WeakPolarHBondContact O-CB 3.39Å; N278-S282 PolarHBondContact O-N 3.26Å; N278-S282 PolarHBondContact O-OG 3.25Å; I279-S282 PolarHBondContact O-N 3.45Å; L280-S282 VanDerWaalsContact C-N 3.31Å; L280-S282 PolarHBondContact O-N 3.09Å; S282-H285 PolarHBondContact O-CE1 3.23Å; S282-H285 PolarHBondContact O-ND1 2.82Å
283R95.6Very high94.8Very high44 Ų4429.3 Ų29.317%0.16617%0.169CC..Hα-helixtrans-124.810.4-169.1-49.1-171.871.8155.6-12.5115I279 L280 H285 E286 L287 V342I279-R283 WeakPolarHBondContact O-CA 3.35Å; I279-R283 WeakPolarHBondContact O-CB 3.2Å; I279-R283 PolarHBondContact O-N 3.46Å; L280-R283 PolarHBondContact O-N 3.38Å; R283-H285 PolarHBondContact O-N 3.3Å; R283-H285 VanDerWaalsContact O-N 3.11Å; R283-E286 IonicContact CZ-OE1 3.6Å; R283-E286 VanDerWaalsContact CZ-OE1 3.29Å; R283-E286 IonicContact CZ-OE2 3.73Å; R283-E286 IonicContact NE-OE1 4Å; R283-E286 PolarHBondContact NE-OE1 3.19Å; R283-E286 IonicContact NE-OE2 3.84Å; R283-E286 PolarHBondContact NE-OE2 3.29Å; R283-E286 IonicContact NH2-OE1 2.99Å; R283-E286 PolarHBondContact NH2-OE1 3.37Å; R283-E286 IonicContact NH2-OE2 2.62Å; R283-E286 PolarHBondContact NH2-OE2 2.94Å; R283-E286 WeakPolarHBondContact O-CB 3.5Å; R283-E286 PolarHBondContact O-N 3.43Å; R283-L287 PolarHBondContact O-N 3.22Å; R283-V342 HydrophobicContact CB-CG1 4.02Å
284W96.1Very high94.7Very high2 Ų223.8 Ų23.81%0.00814%0.143CC..Hα-helixtrans-51.1-38.1177.169.1-89.1000113L255 T258 L280 E286 L287 F288 I391 E392 F396 M405 V409L255-W284 HydrophobicContact CD1-CE3 4.06Å; L255-W284 HydrophobicContact CD1-CZ3 4.18Å; T258-W284 HydrophobicContact CG2-CB 4.32Å; L280-W284 WeakPolarHBondContact O-CA 3.47Å; L280-W284 WeakPolarHBondContact O-CB 3.03Å; L280-W284 PolarHBondContact O-N 2.95Å; W284-E286 VanDerWaalsContact C-N 3.31Å; W284-E286 PolarHBondContact O-N 3Å; W284-L287 PolarHBondContact O-N 2.8Å; W284-F288 HydrophobicContact CE3-CB 4.11Å; W284-F288 HydrophobicContact CZ3-CB 4.22Å; W284-F288 HydrophobicContact CZ3-CG 4.25Å; W284-F288 VanDerWaalsContact O-CB 3.31Å; W284-F288 WeakPolarHBondContact O-CB 3.43Å; W284-F288 PolarHBondContact O-N 3.41Å; W284-I391 HydrophobicContact CH2-CB 4.11Å; W284-I391 HydrophobicContact CH2-CG2 3.82Å; W284-I391 HydrophobicContact CZ3-CG2 4Å; W284-E392 HydrophobicContact CH2-CG 4.14Å; W284-E392 HydrophobicContact CZ2-CG 3.94Å; W284-F396 HydrophobicContact CZ3-CE2 4.43Å; W284-M405 HydrophobicContact CD2-CB 4.22Å; W284-M405 HydrophobicContact CH2-CB 3.73Å; W284-M405 HydrophobicContact CH2-CG 3.82Å; W284-M405 HydrophobicContact CZ2-CB 3.3Å; W284-M405 HydrophobicContact CZ2-CG 3.82Å; W284-M405 HydrophobicContact CZ3-CB 4.33Å; W284-V409 HydrophobicContact CB-CB 4.29Å; W284-V409 HydrophobicContact CB-CG1 3.91Å; W284-V409 HydrophobicContact CB-CG2 3.93Å; W284-V409 HydrophobicContact CD2-CG2 4.26Å; W284-V409 HydrophobicContact CE3-CG2 4.45Å; W284-V409 HydrophobicContact CG-CG2 4.04Å
285H97Very high94.6Very high17 Ų1721.4 Ų21.48%0.07912%0.119CC..Hα-helixtrans-66.3-33.6-177.363.1-76.9000111.8S282 R283 F288 I289 I386S282-H285 PolarHBondContact O-CE1 3.23Å; S282-H285 PolarHBondContact O-ND1 2.82Å; R283-H285 PolarHBondContact O-N 3.3Å; R283-H285 VanDerWaalsContact O-N 3.11Å; H285-F288 PolarHBondContact O-N 3.28Å; H285-I289 WeakPolarHBondContact O-CB 3.33Å; H285-I289 WeakPolarHBondContact O-CD1 3.29Å; H285-I289 WeakPolarHBondContact O-CG1 3.49Å; H285-I289 PolarHBondContact O-N 2.87Å; H285-I386 PolarHBondContact CD2-O 3.31Å; H285-I386 PolarHBondContact NE2-O 3.43Å
286E97.4Very high94.4Very high6 Ų621 Ų213%0.02812%0.119CC..Hα-helixtrans-66.3-45.9175.6-63.5179.2-121.200111.1R283 W284 F288 I289 L290 V342 V383R283-E286 IonicContact CZ-OE1 3.6Å; R283-E286 VanDerWaalsContact CZ-OE1 3.29Å; R283-E286 IonicContact CZ-OE2 3.73Å; R283-E286 IonicContact NE-OE1 4Å; R283-E286 PolarHBondContact NE-OE1 3.19Å; R283-E286 IonicContact NE-OE2 3.84Å; R283-E286 PolarHBondContact NE-OE2 3.29Å; R283-E286 IonicContact NH2-OE1 2.99Å; R283-E286 PolarHBondContact NH2-OE1 3.37Å; R283-E286 IonicContact NH2-OE2 2.62Å; R283-E286 PolarHBondContact NH2-OE2 2.94Å; R283-E286 WeakPolarHBondContact O-CB 3.5Å; R283-E286 PolarHBondContact O-N 3.43Å; W284-E286 VanDerWaalsContact C-N 3.31Å; W284-E286 PolarHBondContact O-N 3Å; E286-F288 VanDerWaalsContact C-N 3.33Å; E286-F288 PolarHBondContact O-N 3.41Å; E286-I289 PolarHBondContact O-N 3.25Å; E286-L290 WeakPolarHBondContact O-CG 3.23Å; E286-L290 PolarHBondContact O-N 2.93Å; E286-V342 HydrophobicContact CB-CG1 3.88Å; E286-V342 HydrophobicContact CB-CG2 4.14Å; E286-V383 HydrophobicContact CB-CG1 4.07Å; E286-V383 HydrophobicContact CG-CG1 4.3Å
287L95.7Very high94.3Very high3 Ų320.9 Ų20.92%0.01612%0.119CC..Hα-helixtrans-61.2-44.2174.1-66.4173.2000111.3T258 P262 L280 R283 W284 I289 L290 L291 K339 V342 L343T258-L287 HydrophobicContact CG2-CB 3.86Å; T258-L287 HydrophobicContact CG2-CD1 4.32Å; P262-L287 HydrophobicContact CG-CD1 4.45Å; L280-L287 HydrophobicContact CD2-CD1 4.23Å; R283-L287 PolarHBondContact O-N 3.22Å; W284-L287 PolarHBondContact O-N 2.8Å; L287-I289 PolarHBondContact O-N 3.12Å; L287-L290 PolarHBondContact O-N 2.97Å; L287-L291 WeakPolarHBondContact O-CG 3.46Å; L287-L291 PolarHBondContact O-N 3.31Å; L287-K339 HydrophobicContact CD2-CB 3.96Å; L287-K339 HydrophobicContact CD2-CG 4.18Å; L287-V342 HydrophobicContact CD2-CB 3.78Å; L287-V342 HydrophobicContact CD2-CG1 3.72Å; L287-V342 HydrophobicContact CG-CB 4.37Å; L287-V342 HydrophobicContact CG-CG1 3.75Å; L287-L343 HydrophobicContact CD1-CD2 3.61Å; L287-L343 HydrophobicContact CD1-CG 4.34Å; L287-L343 HydrophobicContact CD2-CD2 4.35Å; L287-L343 HydrophobicContact CD2-CG 4.2Å
288F96.1Very high94Very high0 Ų019.9 Ų19.90%011%0.109CC..Hα-helixtrans-62.7-41.7179-178.4-91.7000112A251 L254 L255 W284 H285 E286 L291 S292 L297 F298 I391 L395 F396A251-F288 HydrophobicContact CB-CZ 4.09Å; A251-F288 WeakPolarHBondContact O-CE2 3.25Å; L254-F288 HydrophobicContact CB-CD2 4.28Å; L254-F288 HydrophobicContact CB-CE2 3.74Å; L254-F288 HydrophobicContact CB-CZ 4.46Å; L255-F288 HydrophobicContact CB-CD2 4.41Å; L255-F288 HydrophobicContact CB-CE2 4.22Å; L255-F288 HydrophobicContact CD1-CD2 4.4Å; W284-F288 HydrophobicContact CE3-CB 4.11Å; W284-F288 HydrophobicContact CZ3-CB 4.22Å; W284-F288 HydrophobicContact CZ3-CG 4.25Å; W284-F288 VanDerWaalsContact O-CB 3.31Å; W284-F288 WeakPolarHBondContact O-CB 3.43Å; W284-F288 PolarHBondContact O-N 3.41Å; H285-F288 PolarHBondContact O-N 3.28Å; E286-F288 VanDerWaalsContact C-N 3.33Å; E286-F288 PolarHBondContact O-N 3.41Å; F288-L291 PolarHBondContact O-N 3.21Å; F288-S292 VanDerWaalsContact CE1-OG 3.25Å; F288-S292 WeakPolarHBondContact CE1-OG 3.32Å; F288-S292 VanDerWaalsContact O-CB 3.25Å; F288-S292 WeakPolarHBondContact O-CB 3.22Å; F288-S292 PolarHBondContact O-N 3.38Å; F288-S292 PolarHBondContact O-OG 3.49Å; F288-L297 HydrophobicContact CE1-CD2 4.21Å; F288-L297 HydrophobicContact CZ-CD2 3.93Å; F288-F298 HydrophobicContact CE1-CZ 4.42Å; F288-I391 HydrophobicContact CD1-CG2 3.63Å; F288-I391 HydrophobicContact CE1-CG2 3.64Å; F288-L395 HydrophobicContact CE1-CD1 3.53Å; F288-L395 HydrophobicContact CZ-CD1 3.64Å; F288-F396 HydrophobicContact CE1-CE2 4.34Å; F288-F396 HydrophobicContact CE2-CE2 4.16Å; F288-F396 AromaticContact CE2-CZ 3.79Å; F288-F396 HydrophobicContact CE2-CZ 3.79Å; F288-F396 AromaticContact CZ-CE2 3.93Å; F288-F396 HydrophobicContact CZ-CE2 3.93Å; F288-F396 AromaticContact CZ-CZ 3.77Å; F288-F396 HydrophobicContact CZ-CZ 3.77Å
289I96.9Very high93.5Very high0 Ų020.6 Ų20.60%011%0.109CC..Hα-helixtrans-65.5-42.4176.6-71.5162.7000110.6H285 E286 L287 L291 S292 A293 L318 V383 I386 I391H285-I289 WeakPolarHBondContact O-CB 3.33Å; H285-I289 WeakPolarHBondContact O-CD1 3.29Å; H285-I289 WeakPolarHBondContact O-CG1 3.49Å; H285-I289 PolarHBondContact O-N 2.87Å; E286-I289 PolarHBondContact O-N 3.25Å; L287-I289 PolarHBondContact O-N 3.12Å; I289-L291 VanDerWaalsContact C-N 3.35Å; I289-L291 PolarHBondContact O-N 3.48Å; I289-S292 PolarHBondContact O-N 2.84Å; I289-A293 WeakPolarHBondContact O-CB 3.18Å; I289-A293 PolarHBondContact O-N 3.39Å; I289-L318 HydrophobicContact CD1-CD1 4.4Å; I289-L318 HydrophobicContact CG1-CD1 4.15Å; I289-L318 HydrophobicContact CG2-CD1 3.76Å; I289-V383 HydrophobicContact CB-CG1 3.99Å; I289-V383 HydrophobicContact CD1-CG1 4.31Å; I289-V383 HydrophobicContact CG2-CB 4.48Å; I289-V383 HydrophobicContact CG2-CG1 3.85Å; I289-V383 HydrophobicContact CG2-CG2 3.93Å; I289-I386 HydrophobicContact CD1-CB 3.89Å; I289-I386 HydrophobicContact CD1-CD1 4.24Å; I289-I386 HydrophobicContact CD1-CG2 3.75Å; I289-I391 HydrophobicContact CD1-CD1 4.05Å; I289-I391 HydrophobicContact CD1-CG1 4.21Å; I289-I391 HydrophobicContact CG1-CD1 3.86Å; I289-I391 HydrophobicContact CG1-CG1 4.27Å
290L96.4Very high92.9Very high0 Ų024.6 Ų24.60%013%0.13CC..Hα-helixtrans-61.7-43176.2-70.7172.7000111.7E286 L287 A293 Q294 F325 Y335 L338 K339 V342 V383E286-L290 WeakPolarHBondContact O-CG 3.23Å; E286-L290 PolarHBondContact O-N 2.93Å; L287-L290 PolarHBondContact O-N 2.97Å; L290-A293 PolarHBondContact O-N 2.87Å; L290-Q294 WeakPolarHBondContact O-CB 3.11Å; L290-Q294 PolarHBondContact O-N 3.32Å; L290-F325 HydrophobicContact CD2-CE1 4.38Å; L290-F325 HydrophobicContact CD2-CE2 4.33Å; L290-F325 HydrophobicContact CD2-CZ 3.74Å; L290-Y335 HydrophobicContact CD2-CD1 4.5Å; L290-L338 HydrophobicContact CD1-CB 3.88Å; L290-L338 HydrophobicContact CD2-CB 4.04Å; L290-L338 HydrophobicContact CD2-CD1 4.15Å; L290-K339 HydrophobicContact CB-CD 4.47Å; L290-K339 HydrophobicContact CB-CG 3.93Å; L290-K339 HydrophobicContact CD1-CB 4.48Å; L290-K339 HydrophobicContact CD1-CG 3.77Å; L290-V342 HydrophobicContact CD1-CG2 4.03Å; L290-V383 HydrophobicContact CD2-CG2 4.48Å
291L93.3Very high92.2Very high2 Ų231 Ų311%0.0116%0.16CC..Hα-helixtrans-64.1-42.9173.3-71.9171.9000111.7L254 L257 T258 L287 F288 I289 A293 Q294 F295 K339L254-L291 HydrophobicContact CD2-CB 4.28Å; L257-L291 HydrophobicContact CB-CD1 4.24Å; L257-L291 HydrophobicContact CD2-CD1 4.3Å; L257-L291 HydrophobicContact CD2-CD2 3.75Å; L257-L291 HydrophobicContact CG-CD1 4.05Å; L257-L291 HydrophobicContact CG-CD2 4.21Å; T258-L291 WeakPolarHBondContact OG1-CD1 2.95Å; L287-L291 WeakPolarHBondContact O-CG 3.46Å; L287-L291 PolarHBondContact O-N 3.31Å; F288-L291 PolarHBondContact O-N 3.21Å; I289-L291 VanDerWaalsContact C-N 3.35Å; I289-L291 PolarHBondContact O-N 3.48Å; L291-A293 VanDerWaalsContact C-N 3.3Å; L291-A293 PolarHBondContact O-N 3.04Å; L291-Q294 PolarHBondContact O-N 3.5Å; L291-F295 HydrophobicContact CD2-CE2 4.04Å; L291-F295 VanDerWaalsContact O-CD2 3.23Å; L291-F295 WeakPolarHBondContact O-CD2 3.09Å; L291-F295 PolarHBondContact O-N 3.45Å; L291-K339 HydrophobicContact CD2-CD 3.9Å; L291-K339 HydrophobicContact CG-CD 4.12Å
292S93.7Very high91.8Very high1 Ų130.7 Ų30.71%0.00715%0.154CC..Hα-helixtrans-63.2-36.6177.8-63.10000112.4F288 I289 N296 L297 F298F288-S292 VanDerWaalsContact CE1-OG 3.25Å; F288-S292 WeakPolarHBondContact CE1-OG 3.32Å; F288-S292 VanDerWaalsContact O-CB 3.25Å; F288-S292 WeakPolarHBondContact O-CB 3.22Å; F288-S292 PolarHBondContact O-N 3.38Å; F288-S292 PolarHBondContact O-OG 3.49Å; I289-S292 PolarHBondContact O-N 2.84Å; S292-N296 CarbonylContact O-C 3.58Å; S292-N296 WeakPolarHBondContact O-CA 3.15Å; S292-N296 PolarHBondContact O-N 3.04Å; S292-L297 PolarHBondContact O-N 3.31Å; S292-L297 WeakPolarHBondContact OG-CD2 3.29Å; S292-F298 VanDerWaalsContact CB-CE2 3.44Å
293A94.6Very high91.4Very high2 Ų232.4 Ų32.42%0.01716%0.159CC..Hα-helixtrans-69.2-48.1173.400000111.1I289 L290 L291 F295 N296 F325 Y335I289-A293 WeakPolarHBondContact O-CB 3.18Å; I289-A293 PolarHBondContact O-N 3.39Å; L290-A293 PolarHBondContact O-N 2.87Å; L291-A293 VanDerWaalsContact C-N 3.3Å; L291-A293 PolarHBondContact O-N 3.04Å; A293-F295 VanDerWaalsContact C-N 3.26Å; A293-F295 PolarHBondContact O-N 3.43Å; A293-N296 PolarHBondContact O-N 3.11Å; A293-F325 HydrophobicContact CB-CB 4.34Å; A293-F325 HydrophobicContact CB-CD2 3.91Å; A293-F325 HydrophobicContact CB-CG 4.19Å; A293-Y335 HydrophobicContact CB-CE1 4.01Å
294Q91.8Very high91.1Very high27 Ų2733.2 Ų33.213%0.12617%0.166CC..Hα-helixtrans-57.2-38.5178.7-177.3174.811.300112.6L290 L291 Y335L290-Q294 WeakPolarHBondContact O-CB 3.11Å; L290-Q294 PolarHBondContact O-N 3.32Å; L291-Q294 PolarHBondContact O-N 3.5Å; Q294-Y335 HydrophobicContact CB-CD1 3.97Å; Q294-Y335 HydrophobicContact CB-CD2 3.8Å; Q294-Y335 HydrophobicContact CB-CE1 4.01Å; Q294-Y335 HydrophobicContact CB-CE2 3.82Å; Q294-Y335 HydrophobicContact CB-CG 3.87Å; Q294-Y335 HydrophobicContact CG-CD2 3.7Å; Q294-Y335 HydrophobicContact CG-CE2 4.03Å; Q294-Y335 HydrophobicContact CG-CG 4.02Å; Q294-Y335 PolarHBondContact N-OH 3.19Å
295F90.4Very high90.8Very high26 Ų2637.5 Ų37.511%0.11420%0.196CC..THydrogen-bonded Turntrans-104.514.9-177.6-65.2-69.5000114.1C235 F238 L254 L257 L291 A293 L297C235-F295 HydrophobicContact CB-CE1 4.2Å; C235-F295 HydrophobicContact CB-CZ 4.29Å; C235-F295 VanDerWaalsContact SG-CZ 3.59Å; F238-F295 HydrophobicContact CB-CE1 4.23Å; F238-F295 HydrophobicContact CB-CZ 4.25Å; F238-F295 HydrophobicContact CD1-CB 4Å; F238-F295 AromaticContact CD1-CD1 3.41Å; F238-F295 HydrophobicContact CD1-CD1 3.41Å; F238-F295 VanDerWaalsContact CD1-CD1 3.41Å; F238-F295 HydrophobicContact CD1-CD2 4.08Å; F238-F295 AromaticContact CD1-CE1 3.8Å; F238-F295 HydrophobicContact CD1-CE1 3.8Å; F238-F295 HydrophobicContact CD1-CE2 4.43Å; F238-F295 AromaticContact CD1-CG 3.57Å; F238-F295 HydrophobicContact CD1-CG 3.57Å; F238-F295 HydrophobicContact CD1-CZ 4.3Å; F238-F295 HydrophobicContact CE1-CB 3.56Å; F238-F295 AromaticContact CE1-CD1 3.91Å; F238-F295 HydrophobicContact CE1-CD1 3.91Å; F238-F295 HydrophobicContact CE1-CD2 4.3Å; F238-F295 AromaticContact CE1-CG 3.68Å; F238-F295 HydrophobicContact CE1-CG 3.68Å; F238-F295 HydrophobicContact CG-CD1 4.34Å; F238-F295 HydrophobicContact CG-CE1 4.35Å; F238-F295 HydrophobicContact CG-CG 4.44Å; F238-F295 HydrophobicContact CG-CZ 4.49Å; F238-F295 HydrophobicContact CZ-CB 4.38Å; L254-F295 HydrophobicContact CD2-CB 4.41Å; L254-F295 HydrophobicContact CD2-CD2 3.57Å; L254-F295 HydrophobicContact CD2-CE2 4.19Å; L254-F295 HydrophobicContact CD2-CG 4.25Å; L257-F295 HydrophobicContact CD2-CE2 4Å; L291-F295 HydrophobicContact CD2-CE2 4.04Å; L291-F295 VanDerWaalsContact O-CD2 3.23Å; L291-F295 WeakPolarHBondContact O-CD2 3.09Å; L291-F295 PolarHBondContact O-N 3.45Å; A293-F295 VanDerWaalsContact C-N 3.26Å; A293-F295 PolarHBondContact O-N 3.43Å; F295-L297 VanDerWaalsContact C-N 3.25Å; F295-L297 PolarHBondContact O-N 3.49Å; F295-L297 VanDerWaalsContact O-N 3.16Å
296N90.4Very high90.4Very high63 Ų6342.7 Ų42.734%0.33722%0.219SC..THydrogen-bonded Turntrans5433.9175.1-63.8-49.1000115.2S292 A293 F298 Q299 R326S292-N296 CarbonylContact O-C 3.58Å; S292-N296 WeakPolarHBondContact O-CA 3.15Å; S292-N296 PolarHBondContact O-N 3.04Å; A293-N296 PolarHBondContact O-N 3.11Å; N296-F298 VanDerWaalsContact C-N 3.26Å; N296-F298 PolarHBondContact O-N 2.94Å; N296-Q299 HydrophobicContact CB-CB 4.19Å; N296-Q299 VanDerWaalsContact O-CB 3.28Å; N296-Q299 WeakPolarHBondContact O-CB 3.32Å; N296-Q299 PolarHBondContact O-N 3.25Å; N296-Q299 VanDerWaalsContact O-N 3.08Å; N296-R326 VanDerWaalsContact OD1-CD 3.3Å; N296-R326 WeakPolarHBondContact OD1-CD 3.35Å
297L90.4Very high90Very high12 Ų1243.6 Ų43.66%0.06322%0.224CC..G310 helixtrans-55-43.7-179.4-177.572.9000111.8I247 N250 A251 L254 F288 S292 F295 Q299 L395I247-L297 HydrophobicContact CG1-CD1 3.98Å; I247-L297 HydrophobicContact CG1-CG 4.17Å; N250-L297 HydrophobicContact CB-CD1 3.68Å; A251-L297 HydrophobicContact CB-CD2 4.15Å; L254-L297 HydrophobicContact CD1-CB 4.01Å; L254-L297 HydrophobicContact CD1-CD1 4.21Å; L254-L297 HydrophobicContact CD1-CD2 4.05Å; L254-L297 HydrophobicContact CD1-CG 4.3Å; F288-L297 HydrophobicContact CE1-CD2 4.21Å; F288-L297 HydrophobicContact CZ-CD2 3.93Å; S292-L297 PolarHBondContact O-N 3.31Å; S292-L297 WeakPolarHBondContact OG-CD2 3.29Å; F295-L297 VanDerWaalsContact C-N 3.25Å; F295-L297 PolarHBondContact O-N 3.49Å; F295-L297 VanDerWaalsContact O-N 3.16Å; L297-Q299 VanDerWaalsContact C-N 3.28Å; L297-Q299 PolarHBondContact O-N 2.99Å; L297-L395 HydrophobicContact CD2-CD1 3.93Å
298F88.7Confident89.7Confident8 Ų851.5 Ų51.54%0.03525%0.253CS..G310 helixtrans-88.717.4-177.5-58.9-58.5000113.8F288 S292 N296 W315 L318 I391 L394 L395F288-F298 HydrophobicContact CE1-CZ 4.42Å; S292-F298 VanDerWaalsContact CB-CE2 3.44Å; N296-F298 VanDerWaalsContact C-N 3.26Å; N296-F298 PolarHBondContact O-N 2.94Å; F298-W315 HydrophobicContact CB-CH2 4.1Å; F298-W315 HydrophobicContact CB-CZ3 4.39Å; F298-W315 AromaticContact CD1-CH2 3.86Å; F298-W315 HydrophobicContact CD1-CH2 3.86Å; F298-W315 AromaticContact CD1-CZ3 3.67Å; F298-W315 HydrophobicContact CD1-CZ3 3.67Å; F298-W315 HydrophobicContact CE1-CZ3 4.13Å; F298-W315 HydrophobicContact CG-CH2 4.23Å; F298-W315 HydrophobicContact CG-CZ3 4.09Å; F298-L318 HydrophobicContact CD2-CD1 4.32Å; F298-L318 HydrophobicContact CD2-CD2 4.21Å; F298-L318 HydrophobicContact CD2-CG 4.27Å; F298-L318 HydrophobicContact CE1-CD2 4.36Å; F298-L318 HydrophobicContact CE2-CD1 4.12Å; F298-L318 HydrophobicContact CE2-CD2 3.78Å; F298-L318 HydrophobicContact CE2-CG 4.23Å; F298-L318 HydrophobicContact CZ-CD2 3.87Å; F298-I391 HydrophobicContact CZ-CD1 4.3Å; F298-L394 HydrophobicContact CD1-CD2 4.42Å; F298-L394 HydrophobicContact CE1-CD2 3.81Å; F298-L395 HydrophobicContact CE1-CD1 3.93Å; F298-L395 HydrophobicContact CE1-CD2 4.33Å; F298-L395 HydrophobicContact CE1-CG 4.43Å; F298-L395 HydrophobicContact CZ-CD1 3.95Å
299Q84.3Confident89.3Confident127 Ų12755 Ų5559%0.59328%0.283SS*.G310 helixtrans-70.4-37.1170.7-175.6174.310.600111.3N296 L297N296-Q299 HydrophobicContact CB-CB 4.19Å; N296-Q299 VanDerWaalsContact O-CB 3.28Å; N296-Q299 WeakPolarHBondContact O-CB 3.32Å; N296-Q299 PolarHBondContact O-N 3.25Å; N296-Q299 VanDerWaalsContact O-N 3.08Å; L297-Q299 VanDerWaalsContact C-N 3.28Å; L297-Q299 PolarHBondContact O-N 2.99Å
300N80.7Confident88.9Confident97 Ų9760.7 Ų60.752%0.51931%0.313SS..SBendtrans-90.9131.4169.5-62.7-44.3000108.7P302N300-P302 WeakPolarHBondContact O-CD 3.49Å
301E79.9Confident88.6Confident136 Ų13661.1 Ų61.164%0.63632%0.315SS*.PPolyproline II helixtrans-69.8124.2-177.9-64.9-165.5147.700110.9Q319E301-Q319 PolarHBondContact OE1-NE2 2.73Å
302P84.4Confident88.5Confident10 Ų1063.1 Ų63.17%0.06533%0.325CS..PPolyproline II helixtrans-65.7167.8168.322.4-27.3000111.4I247 N300 I304 W315 L394I247-P302 HydrophobicContact CD1-CB 3.93Å; I247-P302 HydrophobicContact CD1-CG 4.21Å; N300-P302 WeakPolarHBondContact O-CD 3.49Å; P302-I304 PolarHBondContact O-N 3.41Å; P302-I304 VanDerWaalsContact O-N 3.09Å; P302-W315 VanDerWaalsContact CD-CH2 3.41Å; P302-W315 HydrophobicContact CG-CH2 3.66Å; P302-W315 HydrophobicContact CG-CZ2 3.98Å; P302-W315 HydrophobicContact CG-CZ3 4.08Å; P302-L394 HydrophobicContact CB-CD1 3.88Å; P302-L394 HydrophobicContact CB-CD2 4.46Å; P302-L394 HydrophobicContact CB-CG 3.89Å; P302-L394 HydrophobicContact CG-CD1 3.55Å; P302-L394 HydrophobicContact CG-CD2 3.66Å; P302-L394 HydrophobicContact CG-CG 3.58Å
303D85.6Confident88.3Confident98 Ų9865.4 Ų65.452%0.52434%0.337SS..  trans-65.4109.8169.8179.214.5000110.5S305D303-S305 VanDerWaalsContact CG-OG 3.31Å; D303-S305 WeakPolarHBondContact OD1-CB 3.27Å; D303-S305 PolarHBondContact OD1-N 3.2Å; D303-S305 PolarHBondContact OD1-OG 2.7Å; D303-S305 PolarHBondContact OD2-OG 3.26Å
304I89.3Confident88.2Confident60 Ų6067.3 Ų67.331%0.30835%0.346SS..  trans-96.90179.559.5170.5000113.3P302 K306 L307 L312 W315 L394P302-I304 PolarHBondContact O-N 3.41Å; P302-I304 VanDerWaalsContact O-N 3.09Å; I304-K306 PolarHBondContact O-N 3.49Å; I304-K306 VanDerWaalsContact O-N 3.14Å; I304-L307 HydrophobicContact CB-CD1 4Å; I304-L307 HydrophobicContact CB-CG 4.44Å; I304-L307 HydrophobicContact CG2-CD1 3.97Å; I304-L307 WeakPolarHBondContact O-CB 3.48Å; I304-L307 PolarHBondContact O-N 2.72Å; I304-L307 VanDerWaalsContact O-N 3.11Å; I304-L312 HydrophobicContact CB-CD1 4.49Å; I304-L312 HydrophobicContact CD1-CD1 4.07Å; I304-W315 HydrophobicContact CG2-CD2 4.47Å; I304-W315 HydrophobicContact CG2-CG 4.38Å; I304-L394 HydrophobicContact CG2-CD1 4.3Å
305S89.2Confident88.3Confident93 Ų9366.1 Ų66.165%0.6534%0.34SS*.THydrogen-bonded Turntrans-60.6-27.7-172.462.50000113.8D303D303-S305 VanDerWaalsContact CG-OG 3.31Å; D303-S305 WeakPolarHBondContact OD1-CB 3.27Å; D303-S305 PolarHBondContact OD1-N 3.2Å; D303-S305 PolarHBondContact OD1-OG 2.7Å; D303-S305 PolarHBondContact OD2-OG 3.26Å
306K88.3Confident88.3Confident125 Ų12570.9 Ų70.954%0.54336%0.357SS..THydrogen-bonded Turntrans-88.2-6.2-178.4-64175.3-177.6172.40114.2I304 D398I304-K306 PolarHBondContact O-N 3.49Å; I304-K306 VanDerWaalsContact O-N 3.14Å; K306-D398 IonicContact NZ-OD1 2.7Å; K306-D398 PolarHBondContact NZ-OD1 3.13Å; K306-D398 IonicContact NZ-OD2 3.51Å; K306-D398 PolarHBondContact NZ-OD2 2.94Å
307L89.2Confident88.4Confident25 Ų2568.9 Ų68.913%0.13135%0.348CS..  trans-76.3136.9-175.4-61.7-176.3000111.8I304 E311 L312 W315 L390 Q393 L394I304-L307 HydrophobicContact CB-CD1 4Å; I304-L307 HydrophobicContact CB-CG 4.44Å; I304-L307 HydrophobicContact CG2-CD1 3.97Å; I304-L307 WeakPolarHBondContact O-CB 3.48Å; I304-L307 PolarHBondContact O-N 2.72Å; I304-L307 VanDerWaalsContact O-N 3.11Å; L307-E311 HydrophobicContact CB-CB 4.08Å; L307-E311 HydrophobicContact CD2-CB 4.14Å; L307-L312 HydrophobicContact CD1-CD1 4.5Å; L307-W315 HydrophobicContact CD1-CB 4.06Å; L307-W315 HydrophobicContact CD1-CG 4.37Å; L307-L390 HydrophobicContact CD1-CD1 4.35Å; L307-L390 HydrophobicContact CD2-CD1 4.25Å; L307-Q393 HydrophobicContact CD2-CB 4.08Å; L307-L394 HydrophobicContact CD1-CD1 4.1Å; L307-L394 HydrophobicContact CD2-CD1 4.42Å
308R90.8Very high88.6Confident169 Ų16968.3 Ų68.364%0.63835%0.345SS*.  trans-71.8161.2169.3-60.8174.4-69.1175.4-1.6110.2N310 E311 L312R308-N310 VanDerWaalsContact C-N 3.26Å; R308-N310 PolarHBondContact O-N 2.64Å; R308-N310 VanDerWaalsContact O-N 3.11Å; R308-E311 VanDerWaalsContact CB-OE2 3.23Å; R308-E311 WeakPolarHBondContact CB-OE2 3.5Å; R308-E311 VanDerWaalsContact CG-OE2 3.32Å; R308-E311 WeakPolarHBondContact CG-OE2 3.33Å; R308-E311 IonicContact CZ-OE1 3.72Å; R308-E311 IonicContact CZ-OE2 3.29Å; R308-E311 PolarHBondContact N-OE2 2.87Å; R308-E311 VanDerWaalsContact NE-CD 3.33Å; R308-E311 IonicContact NE-OE1 3.2Å; R308-E311 PolarHBondContact NE-OE1 2.64Å; R308-E311 IonicContact NE-OE2 3.04Å; R308-E311 PolarHBondContact NE-OE2 3.34Å; R308-E311 IonicContact NH2-OE1 3.18Å; R308-E311 PolarHBondContact NH2-OE1 2.9Å; R308-E311 IonicContact NH2-OE2 3.26Å; R308-E311 WeakPolarHBondContact O-CA 3.43Å; R308-E311 WeakPolarHBondContact O-CB 3.4Å; R308-E311 PolarHBondContact O-N 2.74Å; R308-L312 PolarHBondContact O-N 2.98Å
309A87.6Confident88.8Confident75 Ų7570.6 Ų70.662%0.6236%0.355SS*.Hα-helixtrans-51.5-40.6-179.100000114.2L312 D313A309-L312 PolarHBondContact O-N 3.03Å; A309-D313 PolarHBondContact O-N 3.25Å; A309-D313 VanDerWaalsContact O-N 3.14Å
310N87.7Confident89.2Confident118 Ų11866.2 Ų66.263%0.63134%0.341SS*.Hα-helixtrans-69.2-37177.3-67.7-19.5000112.7R308 D313 E314R308-N310 VanDerWaalsContact C-N 3.26Å; R308-N310 PolarHBondContact O-N 2.64Å; R308-N310 VanDerWaalsContact O-N 3.11Å; N310-D313 PolarHBondContact O-N 2.89Å; N310-E314 PolarHBondContact O-N 3.43Å; N310-E314 VanDerWaalsContact O-N 3.13Å
311E90.7Very high89.8Confident10 Ų1061.6 Ų61.65%0.04732%0.316CS..Hα-helixtrans-71.9-34.1177.6-68.7162.4158.100110.6L307 R308 E314 W315 L390L307-E311 HydrophobicContact CB-CB 4.08Å; L307-E311 HydrophobicContact CD2-CB 4.14Å; R308-E311 VanDerWaalsContact CB-OE2 3.23Å; R308-E311 WeakPolarHBondContact CB-OE2 3.5Å; R308-E311 VanDerWaalsContact CG-OE2 3.32Å; R308-E311 WeakPolarHBondContact CG-OE2 3.33Å; R308-E311 IonicContact CZ-OE1 3.72Å; R308-E311 IonicContact CZ-OE2 3.29Å; R308-E311 PolarHBondContact N-OE2 2.87Å; R308-E311 VanDerWaalsContact NE-CD 3.33Å; R308-E311 IonicContact NE-OE1 3.2Å; R308-E311 PolarHBondContact NE-OE1 2.64Å; R308-E311 IonicContact NE-OE2 3.04Å; R308-E311 PolarHBondContact NE-OE2 3.34Å; R308-E311 IonicContact NH2-OE1 3.18Å; R308-E311 PolarHBondContact NH2-OE1 2.9Å; R308-E311 IonicContact NH2-OE2 3.26Å; R308-E311 WeakPolarHBondContact O-CA 3.43Å; R308-E311 WeakPolarHBondContact O-CB 3.4Å; R308-E311 PolarHBondContact O-N 2.74Å; E311-E314 PolarHBondContact O-N 3.09Å; E311-W315 WeakPolarHBondContact O-CB 3.46Å; E311-W315 PolarHBondContact O-N 2.84Å; E311-L390 HydrophobicContact CB-CD1 4.08Å; E311-L390 WeakPolarHBondContact O-CD1 3.48Å
312L90.8Very high90.5Very high44 Ų4455.2 Ų55.223%0.2329%0.286CS..Hα-helixtrans-65.8-38.4174.3-171.665.7000112I304 L307 R308 A309 E314 W315 R316I304-L312 HydrophobicContact CB-CD1 4.49Å; I304-L312 HydrophobicContact CD1-CD1 4.07Å; L307-L312 HydrophobicContact CD1-CD1 4.5Å; R308-L312 PolarHBondContact O-N 2.98Å; A309-L312 PolarHBondContact O-N 3.03Å; L312-E314 VanDerWaalsContact C-N 3.35Å; L312-W315 PolarHBondContact O-N 2.91Å; L312-R316 VanDerWaalsContact CD2-NH2 3.31Å; L312-R316 WeakPolarHBondContact O-CG 3.14Å; L312-R316 PolarHBondContact O-N 3.06Å; L312-R316 VanDerWaalsContact O-N 3.11Å
313D89.6Confident91Very high48 Ų4855.8 Ų55.826%0.25730%0.295SS..Hα-helixtrans-65.4-39.3171.9-77.8-19.2000112.3R108 A309 N310 R316 V317R108-D313 IonicContact CZ-OD2 3.98Å; R108-D313 IonicContact NH2-OD2 3.21Å; R108-D313 PolarHBondContact NH2-OD2 3.38Å; A309-D313 PolarHBondContact O-N 3.25Å; A309-D313 VanDerWaalsContact O-N 3.14Å; N310-D313 PolarHBondContact O-N 2.89Å; D313-R316 PolarHBondContact O-N 3.43Å; D313-R316 IonicContact OD1-NH1 2.86Å; D313-R316 PolarHBondContact OD1-NH1 3.03Å; D313-V317 WeakPolarHBondContact O-CG2 3.28Å; D313-V317 PolarHBondContact O-N 3.15Å
314E91.9Very high91.4Very high42 Ų4251.3 Ų51.320%0.19627%0.271CS..Hα-helixtrans-69.2-36.4177-162.6174.7-145.400111.9N310 E311 L312 V317 L318 I386 S387 L390N310-E314 PolarHBondContact O-N 3.43Å; N310-E314 VanDerWaalsContact O-N 3.13Å; E311-E314 PolarHBondContact O-N 3.09Å; L312-E314 VanDerWaalsContact C-N 3.35Å; E314-V317 WeakPolarHBondContact O-CB 3.16Å; E314-V317 PolarHBondContact O-N 2.95Å; E314-V317 VanDerWaalsContact O-N 3.15Å; E314-L318 PolarHBondContact O-N 3.36Å; E314-I386 HydrophobicContact CG-CG2 4.37Å; E314-S387 VanDerWaalsContact CD-OG 3.31Å; E314-S387 VanDerWaalsContact OE1-CB 3.25Å; E314-S387 WeakPolarHBondContact OE1-CB 3.41Å; E314-S387 PolarHBondContact OE1-N 3.13Å; E314-S387 PolarHBondContact OE1-OG 2.75Å; E314-S387 PolarHBondContact OE2-OG 3.27Å; E314-L390 HydrophobicContact CB-CD2 3.93Å; E314-L390 HydrophobicContact CG-CD2 3.72Å; E314-L390 WeakPolarHBondContact OE2-CB 3.48Å
315W93.6Very high91.7Very high3 Ų348.5 Ų48.51%0.01126%0.256CS..Hα-helixtrans-58.6-46170.7167-115.1000112F298 P302 I304 L307 E311 L312 V317 L318 Q319 L390 L394F298-W315 HydrophobicContact CB-CH2 4.1Å; F298-W315 HydrophobicContact CB-CZ3 4.39Å; F298-W315 AromaticContact CD1-CH2 3.86Å; F298-W315 HydrophobicContact CD1-CH2 3.86Å; F298-W315 AromaticContact CD1-CZ3 3.67Å; F298-W315 HydrophobicContact CD1-CZ3 3.67Å; F298-W315 HydrophobicContact CE1-CZ3 4.13Å; F298-W315 HydrophobicContact CG-CH2 4.23Å; F298-W315 HydrophobicContact CG-CZ3 4.09Å; P302-W315 VanDerWaalsContact CD-CH2 3.41Å; P302-W315 HydrophobicContact CG-CH2 3.66Å; P302-W315 HydrophobicContact CG-CZ2 3.98Å; P302-W315 HydrophobicContact CG-CZ3 4.08Å; I304-W315 HydrophobicContact CG2-CD2 4.47Å; I304-W315 HydrophobicContact CG2-CG 4.38Å; L307-W315 HydrophobicContact CD1-CB 4.06Å; L307-W315 HydrophobicContact CD1-CG 4.37Å; E311-W315 WeakPolarHBondContact O-CB 3.46Å; E311-W315 PolarHBondContact O-N 2.84Å; L312-W315 PolarHBondContact O-N 2.91Å; W315-V317 PolarHBondContact O-N 3.23Å; W315-L318 HydrophobicContact CE3-CB 4.39Å; W315-L318 HydrophobicContact CE3-CD2 3.95Å; W315-L318 HydrophobicContact CE3-CG 4.41Å; W315-L318 HydrophobicContact CZ3-CD2 3.92Å; W315-L318 HydrophobicContact CZ3-CG 4.33Å; W315-L318 WeakPolarHBondContact O-CB 3.29Å; W315-L318 PolarHBondContact O-N 3.42Å; W315-L318 VanDerWaalsContact O-N 3.09Å; W315-Q319 HydrophobicContact CD2-CG 3.9Å; W315-Q319 VanDerWaalsContact CE2-CG 3.42Å; W315-Q319 HydrophobicContact CE3-CG 4.23Å; W315-Q319 HydrophobicContact CH2-CG 3.72Å; W315-Q319 HydrophobicContact CZ2-CG 3.35Å; W315-Q319 HydrophobicContact CZ3-CG 4.14Å; W315-Q319 VanDerWaalsContact NE1-OE1 3.14Å; W315-Q319 WeakPolarHBondContact O-CG 3.3Å; W315-Q319 PolarHBondContact O-N 3.16Å; W315-L390 HydrophobicContact CB-CD1 4.35Å; W315-L394 HydrophobicContact CE3-CD2 3.56Å; W315-L394 HydrophobicContact CH2-CD2 4.37Å; W315-L394 HydrophobicContact CZ3-CD2 3.5Å; W315-L394 VanDerWaalsContact CZ3-CD2 3.5Å
316R92Very high91.9Very high125 Ų12548.6 Ų48.647%0.47224%0.242SC..Hα-helixtrans-59.8-36.9174.9-69.8174.3-174113.85.2112L312 D313 A320L312-R316 VanDerWaalsContact CD2-NH2 3.31Å; L312-R316 WeakPolarHBondContact O-CG 3.14Å; L312-R316 PolarHBondContact O-N 3.06Å; L312-R316 VanDerWaalsContact O-N 3.11Å; D313-R316 PolarHBondContact O-N 3.43Å; D313-R316 IonicContact OD1-NH1 2.86Å; D313-R316 PolarHBondContact OD1-NH1 3.03Å; R316-A320 WeakPolarHBondContact O-CB 3.48Å; R316-A320 PolarHBondContact O-N 3.37Å
317V92Very high92.1Very high22 Ų2248.3 Ų48.313%0.13324%0.243CC..Hα-helixtrans-64.3-46.5174.2171.10000110.6L107 M111 D313 E314 W315 Q319 A320 V321 I386L107-V317 HydrophobicContact CD2-CG1 4.35Å; L107-V317 HydrophobicContact CD2-CG2 4.17Å; M111-V317 HydrophobicContact CE-CB 4.3Å; M111-V317 HydrophobicContact CE-CG1 3.87Å; M111-V317 HydrophobicContact CE-CG2 4.45Å; M111-V317 HydrophobicContact SD-CG1 3.98Å; D313-V317 WeakPolarHBondContact O-CG2 3.28Å; D313-V317 PolarHBondContact O-N 3.15Å; E314-V317 WeakPolarHBondContact O-CB 3.16Å; E314-V317 PolarHBondContact O-N 2.95Å; E314-V317 VanDerWaalsContact O-N 3.15Å; W315-V317 PolarHBondContact O-N 3.23Å; V317-Q319 PolarHBondContact O-N 2.66Å; V317-A320 PolarHBondContact O-N 2.92Å; V317-V321 HydrophobicContact CG1-CG2 4.36Å; V317-V321 WeakPolarHBondContact O-CG2 3.31Å; V317-V321 PolarHBondContact O-N 3.33Å; V317-I386 HydrophobicContact CG1-CG1 4.4Å
318L94.1Very high92.3Very high0 Ų048.4 Ų48.40%024%0.243CC..Hα-helixtrans-59-46.5176177.557.6000112I289 F298 E314 W315 A320 V321 C322 I386 L390 I391I289-L318 HydrophobicContact CD1-CD1 4.4Å; I289-L318 HydrophobicContact CG1-CD1 4.15Å; I289-L318 HydrophobicContact CG2-CD1 3.76Å; F298-L318 HydrophobicContact CD2-CD1 4.32Å; F298-L318 HydrophobicContact CD2-CD2 4.21Å; F298-L318 HydrophobicContact CD2-CG 4.27Å; F298-L318 HydrophobicContact CE1-CD2 4.36Å; F298-L318 HydrophobicContact CE2-CD1 4.12Å; F298-L318 HydrophobicContact CE2-CD2 3.78Å; F298-L318 HydrophobicContact CE2-CG 4.23Å; F298-L318 HydrophobicContact CZ-CD2 3.87Å; E314-L318 PolarHBondContact O-N 3.36Å; W315-L318 HydrophobicContact CE3-CB 4.39Å; W315-L318 HydrophobicContact CE3-CD2 3.95Å; W315-L318 HydrophobicContact CE3-CG 4.41Å; W315-L318 HydrophobicContact CZ3-CD2 3.92Å; W315-L318 HydrophobicContact CZ3-CG 4.33Å; W315-L318 WeakPolarHBondContact O-CB 3.29Å; W315-L318 PolarHBondContact O-N 3.42Å; W315-L318 VanDerWaalsContact O-N 3.09Å; L318-A320 VanDerWaalsContact C-N 3.35Å; L318-A320 PolarHBondContact O-N 3.45Å; L318-V321 PolarHBondContact O-N 3.36Å; L318-C322 PolarHBondContact O-N 2.88Å; L318-C322 PolarHBondContact O-SG 3.41Å; L318-I386 HydrophobicContact CB-CD1 3.97Å; L318-I386 HydrophobicContact CD1-CD1 3.75Å; L318-I386 HydrophobicContact CG-CD1 4.44Å; L318-L390 HydrophobicContact CD2-CD2 4.31Å; L318-I391 HydrophobicContact CD2-CD1 3.71Å
319Q92.5Very high92.5Very high55 Ų5548 Ų4826%0.25725%0.248SC..Hα-helixtrans-58-45.9175.8-72.8-176.5-58.900111.8E301 W315 V317 C322 G323E301-Q319 PolarHBondContact OE1-NE2 2.73Å; W315-Q319 HydrophobicContact CD2-CG 3.9Å; W315-Q319 VanDerWaalsContact CE2-CG 3.42Å; W315-Q319 HydrophobicContact CE3-CG 4.23Å; W315-Q319 HydrophobicContact CH2-CG 3.72Å; W315-Q319 HydrophobicContact CZ2-CG 3.35Å; W315-Q319 HydrophobicContact CZ3-CG 4.14Å; W315-Q319 VanDerWaalsContact NE1-OE1 3.14Å; W315-Q319 WeakPolarHBondContact O-CG 3.3Å; W315-Q319 PolarHBondContact O-N 3.16Å; V317-Q319 PolarHBondContact O-N 2.66Å; Q319-C322 PolarHBondContact O-N 3.03Å; Q319-G323 PolarHBondContact O-N 2.81Å
320A92.8Very high92.8Very high35 Ų3545.1 Ų45.129%0.28922%0.223SC..Hα-helixtrans-65-42.2178.200000112.1M111 F115 R316 V317 L318 G323 K324M111-A320 HydrophobicContact CE-CB 3.42Å; M111-A320 VanDerWaalsContact CE-CB 3.42Å; F115-A320 HydrophobicContact CE1-CB 3.86Å; F115-A320 VanDerWaalsContact CE1-O 3.24Å; F115-A320 WeakPolarHBondContact CE1-O 3.46Å; F115-A320 HydrophobicContact CZ-CB 3.91Å; F115-A320 WeakPolarHBondContact CZ-O 3.19Å; R316-A320 WeakPolarHBondContact O-CB 3.48Å; R316-A320 PolarHBondContact O-N 3.37Å; V317-A320 PolarHBondContact O-N 2.92Å; L318-A320 VanDerWaalsContact C-N 3.35Å; L318-A320 PolarHBondContact O-N 3.45Å; A320-G323 PolarHBondContact O-N 3.23Å; A320-K324 PolarHBondContact O-N 3.27Å
321V94.5Very high92.9Very high0 Ų040.3 Ų40.30%020%0.198CC..Hα-helixtrans-59.9-50.9174.7168.80000110.9M111 V317 L318 G323 K324 F325 L379 L382 V383M111-V321 HydrophobicContact CE-CG2 4.13Å; V317-V321 HydrophobicContact CG1-CG2 4.36Å; V317-V321 WeakPolarHBondContact O-CG2 3.31Å; V317-V321 PolarHBondContact O-N 3.33Å; L318-V321 PolarHBondContact O-N 3.36Å; V321-G323 VanDerWaalsContact C-N 3.3Å; V321-G323 PolarHBondContact O-N 2.9Å; V321-K324 PolarHBondContact O-N 3.15Å; V321-K324 VanDerWaalsContact O-N 3.17Å; V321-F325 HydrophobicContact CG1-CD2 3.79Å; V321-F325 HydrophobicContact CG1-CE2 3.57Å; V321-F325 VanDerWaalsContact O-CD2 3.26Å; V321-F325 WeakPolarHBondContact O-CD2 3.38Å; V321-F325 PolarHBondContact O-N 3.48Å; V321-L379 HydrophobicContact CG1-CD2 4.39Å; V321-L382 HydrophobicContact CG2-CB 3.73Å; V321-L382 HydrophobicContact CG2-CD1 4.09Å; V321-V383 HydrophobicContact CG1-CG2 3.73Å
322C94.4Very high92.9Very high2 Ų242.7 Ų42.71%0.01421%0.214CC..Hα-helixtrans-62.3-37.2176.5-70.20000112.3L318 Q319 K324 F325 R326L318-C322 PolarHBondContact O-N 2.88Å; L318-C322 PolarHBondContact O-SG 3.41Å; Q319-C322 PolarHBondContact O-N 3.03Å; C322-K324 VanDerWaalsContact C-N 3.34Å; C322-F325 PolarHBondContact O-N 3.44Å; C322-R326 PolarHBondContact O-N 3.07Å; C322-R326 VanDerWaalsContact O-N 3.17Å
323G93.2Very high92.8Very high23 Ų2341 Ų4124%0.23721%0.205CC..Hα-helixtrans-59.9-43.8173.100000112.1Q319 A320 V321 R326 E327Q319-G323 PolarHBondContact O-N 2.81Å; A320-G323 PolarHBondContact O-N 3.23Å; V321-G323 VanDerWaalsContact C-N 3.3Å; V321-G323 PolarHBondContact O-N 2.9Å; G323-R326 WeakPolarHBondContact O-CB 3.37Å; G323-R326 PolarHBondContact O-N 3.25Å; G323-E327 PolarHBondContact O-N 3.33Å
324K94.7Very high92.9Very high4 Ų438.7 Ų38.72%0.01719%0.193CC..Hα-helixtrans-71.4-34.6179.8-168.253.6169.2177.30113.4F114 F115 S118 A320 V321 C322 R326 E327 L328 L379F114-K324 HydrophobicContact CE1-CG 4.13Å; F115-K324 HydrophobicContact CE1-CB 3.71Å; F115-K324 HydrophobicContact CE1-CG 4.23Å; F115-K324 HydrophobicContact CZ-CB 3.95Å; F115-K324 HydrophobicContact CZ-CG 4.46Å; S118-K324 VanDerWaalsContact CB-NZ 3.32Å; S118-K324 VanDerWaalsContact OG-CE 3.28Å; S118-K324 WeakPolarHBondContact OG-CE 3.3Å; S118-K324 PolarHBondContact OG-NZ 2.88Å; A320-K324 PolarHBondContact O-N 3.27Å; V321-K324 PolarHBondContact O-N 3.15Å; V321-K324 VanDerWaalsContact O-N 3.17Å; C322-K324 VanDerWaalsContact C-N 3.34Å; K324-R326 VanDerWaalsContact C-N 3.29Å; K324-R326 PolarHBondContact O-N 2.95Å; K324-E327 HydrophobicContact CD-CB 4.23Å; K324-E327 WeakPolarHBondContact CD-OE2 3.3Å; K324-E327 IonicContact NZ-OE1 3.5Å; K324-E327 PolarHBondContact NZ-OE1 3.36Å; K324-E327 IonicContact NZ-OE2 3.6Å; K324-E327 PolarHBondContact NZ-OE2 2.83Å; K324-E327 PolarHBondContact O-N 3.37Å; K324-L328 HydrophobicContact CD-CG 4.36Å; K324-L328 HydrophobicContact CG-CD1 4.4Å; K324-L328 WeakPolarHBondContact O-CB 3.3Å; K324-L328 WeakPolarHBondContact O-CG 3.45Å; K324-L328 PolarHBondContact O-N 3.47Å; K324-L379 HydrophobicContact CB-CD1 4.41Å; K324-L379 HydrophobicContact CB-CD2 3.77Å; K324-L379 HydrophobicContact CG-CD1 4.13Å; K324-L379 HydrophobicContact CG-CD2 3.76Å; K324-L379 HydrophobicContact CG-CG 4.36Å
325F95.7Very high93Very high0 Ų037.1 Ų37.10%019%0.185CC..Hα-helixtrans-57-43.3168.9-87.9-63.6000111.9L290 A293 V321 C322 Q329 V330 Y335 L338 L379 V383L290-F325 HydrophobicContact CD2-CE1 4.38Å; L290-F325 HydrophobicContact CD2-CE2 4.33Å; L290-F325 HydrophobicContact CD2-CZ 3.74Å; A293-F325 HydrophobicContact CB-CB 4.34Å; A293-F325 HydrophobicContact CB-CD2 3.91Å; A293-F325 HydrophobicContact CB-CG 4.19Å; V321-F325 HydrophobicContact CG1-CD2 3.79Å; V321-F325 HydrophobicContact CG1-CE2 3.57Å; V321-F325 VanDerWaalsContact O-CD2 3.26Å; V321-F325 WeakPolarHBondContact O-CD2 3.38Å; V321-F325 PolarHBondContact O-N 3.48Å; C322-F325 PolarHBondContact O-N 3.44Å; F325-Q329 PolarHBondContact O-N 3.5Å; F325-V330 HydrophobicContact CD1-CB 4.07Å; F325-V330 HydrophobicContact CD1-CG1 4.29Å; F325-V330 HydrophobicContact CD1-CG2 3.68Å; F325-V330 HydrophobicContact CE1-CG2 4.38Å; F325-V330 WeakPolarHBondContact O-CG2 3.4Å; F325-V330 PolarHBondContact O-N 3.14Å; F325-Y335 WeakPolarHBondContact CB-OH 3.47Å; F325-Y335 AromaticContact CD1-CE1 3.81Å; F325-Y335 HydrophobicContact CD1-CE1 3.81Å; F325-Y335 AromaticContact CD1-CZ 3.94Å; F325-Y335 HydrophobicContact CE1-CE1 4.05Å; F325-Y335 HydrophobicContact CG-CE1 4.3Å; F325-L338 HydrophobicContact CE1-CD1 3.67Å; F325-L338 HydrophobicContact CZ-CD1 4.19Å; F325-L379 HydrophobicContact CD1-CD1 3.82Å; F325-L379 HydrophobicContact CD2-CD1 4.3Å; F325-L379 HydrophobicContact CE1-CB 4.15Å; F325-L379 HydrophobicContact CE1-CD1 3.83Å; F325-L379 HydrophobicContact CE2-CB 4.09Å; F325-L379 HydrophobicContact CE2-CD1 4.34Å; F325-L379 HydrophobicContact CG-CD1 4.03Å; F325-L379 HydrophobicContact CZ-CB 3.71Å; F325-L379 HydrophobicContact CZ-CD1 4.1Å; F325-L379 HydrophobicContact CZ-CG 4.49Å; F325-V383 HydrophobicContact CE2-CG2 3.87Å; F325-V383 HydrophobicContact CZ-CG2 4.31Å
326R94.2Very high93Very high95 Ų9537.1 Ų37.136%0.35819%0.186SC..Hα-helixtrans-68.3-42.5174.9-71-171.7-65.4-90.43.7112.8N296 C322 G323 K324 L328 Q329N296-R326 VanDerWaalsContact OD1-CD 3.3Å; N296-R326 WeakPolarHBondContact OD1-CD 3.35Å; C322-R326 PolarHBondContact O-N 3.07Å; C322-R326 VanDerWaalsContact O-N 3.17Å; G323-R326 WeakPolarHBondContact O-CB 3.37Å; G323-R326 PolarHBondContact O-N 3.25Å; K324-R326 VanDerWaalsContact C-N 3.29Å; K324-R326 PolarHBondContact O-N 2.95Å; R326-L328 VanDerWaalsContact C-N 3.34Å; R326-L328 PolarHBondContact O-N 2.95Å; R326-Q329 WeakPolarHBondContact O-CA 3.3Å; R326-Q329 PolarHBondContact O-N 2.83Å
327E92.9Very high93Very high120 Ų12031.4 Ų31.456%0.56116%0.164SC*.Hα-helixtrans-61.4-42.1179.3-170.3-162.5143.700111.8G323 K324 Q329G323-E327 PolarHBondContact O-N 3.33Å; K324-E327 HydrophobicContact CD-CB 4.23Å; K324-E327 WeakPolarHBondContact CD-OE2 3.3Å; K324-E327 IonicContact NZ-OE1 3.5Å; K324-E327 PolarHBondContact NZ-OE1 3.36Å; K324-E327 IonicContact NZ-OE2 3.6Å; K324-E327 PolarHBondContact NZ-OE2 2.83Å; K324-E327 PolarHBondContact O-N 3.37Å; E327-Q329 PolarHBondContact O-N 2.75Å
328L93Very high93.1Very high26 Ų2630.3 Ų30.314%0.13616%0.158CC..THydrogen-bonded Turntrans-72.3-7.6174.1-68.6177.7000113K324 R326 V330 R372 M375 L376 L379K324-L328 HydrophobicContact CD-CG 4.36Å; K324-L328 HydrophobicContact CG-CD1 4.4Å; K324-L328 WeakPolarHBondContact O-CB 3.3Å; K324-L328 WeakPolarHBondContact O-CG 3.45Å; K324-L328 PolarHBondContact O-N 3.47Å; R326-L328 VanDerWaalsContact C-N 3.34Å; R326-L328 PolarHBondContact O-N 2.95Å; L328-V330 VanDerWaalsContact C-N 3.31Å; L328-V330 HydrophobicContact CB-CG2 3.87Å; L328-V330 PolarHBondContact O-N 3.09Å; L328-R372 PolarHBondContact O-NH1 3.09Å; L328-R372 PolarHBondContact O-NH2 2.58Å; L328-R372 VanDerWaalsContact O-NH2 3.12Å; L328-M375 HydrophobicContact CD1-CB 3.92Å; L328-L376 HydrophobicContact CD1-CD2 4.49Å; L328-L379 HydrophobicContact CD1-CD1 3.72Å
329Q94.2Very high93.1Very high160 Ų16030.6 Ų30.675%0.74816%0.159SC*.THydrogen-bonded Turntrans48.755.5-173.7-59.4-177.70.300110.8F325 R326 E327 D331 R372F325-Q329 PolarHBondContact O-N 3.5Å; R326-Q329 WeakPolarHBondContact O-CA 3.3Å; R326-Q329 PolarHBondContact O-N 2.83Å; E327-Q329 PolarHBondContact O-N 2.75Å; Q329-D331 PolarHBondContact O-N 3Å; Q329-R372 PolarHBondContact O-NH2 3.32Å
330V94Very high93.2Very high15 Ų1528.4 Ų28.49%0.09115%0.149CC..  trans-63.5124.4-178.7-179.70000109.5F325 L328 E334 Y335 L376F325-V330 HydrophobicContact CD1-CB 4.07Å; F325-V330 HydrophobicContact CD1-CG1 4.29Å; F325-V330 HydrophobicContact CD1-CG2 3.68Å; F325-V330 HydrophobicContact CE1-CG2 4.38Å; F325-V330 WeakPolarHBondContact O-CG2 3.4Å; F325-V330 PolarHBondContact O-N 3.14Å; L328-V330 VanDerWaalsContact C-N 3.31Å; L328-V330 HydrophobicContact CB-CG2 3.87Å; L328-V330 PolarHBondContact O-N 3.09Å; V330-E334 VanDerWaalsContact CA-OE2 3.23Å; V330-E334 WeakPolarHBondContact CA-OE2 3.44Å; V330-E334 HydrophobicContact CG1-CB 3.55Å; V330-E334 HydrophobicContact CG1-CG 4.5Å; V330-E334 WeakPolarHBondContact CG1-OE2 3.27Å; V330-Y335 HydrophobicContact CB-CD2 4.29Å; V330-Y335 HydrophobicContact CB-CE2 3.76Å; V330-Y335 HydrophobicContact CG1-CD1 4.37Å; V330-Y335 HydrophobicContact CG1-CD2 3.74Å; V330-Y335 HydrophobicContact CG1-CE1 4.33Å; V330-Y335 HydrophobicContact CG1-CE2 3.7Å; V330-Y335 HydrophobicContact CG1-CG 4.09Å; V330-Y335 VanDerWaalsContact O-CE2 3.26Å; V330-Y335 WeakPolarHBondContact O-CE2 3.32Å; V330-L376 HydrophobicContact CB-CD2 4.39Å; V330-L376 HydrophobicContact CG1-CD2 4.01Å; V330-L376 HydrophobicContact CG2-CD2 3.42Å; V330-L376 VanDerWaalsContact CG2-CD2 3.42Å
331D91.1Very high93.2Very high18 Ų1826.8 Ų26.810%0.09614%0.135CC..  trans-82.3165.8-176.676.448.6000111.6Q329 V333 E334 Y335 Y361 Y366Q329-D331 PolarHBondContact O-N 3Å; D331-V333 VanDerWaalsContact C-N 3.27Å; D331-V333 PolarHBondContact O-N 3.27Å; D331-V333 VanDerWaalsContact OD1-CA 3.3Å; D331-V333 WeakPolarHBondContact OD1-CA 3.47Å; D331-V333 VanDerWaalsContact OD1-CB 3.31Å; D331-V333 WeakPolarHBondContact OD1-CB 3.15Å; D331-V333 PolarHBondContact OD1-N 3.05Å; D331-E334 PolarHBondContact N-OE2 3.48Å; D331-E334 PolarHBondContact O-N 2.98Å; D331-E334 PolarHBondContact OD1-N 2.93Å; D331-Y335 WeakPolarHBondContact O-CD2 3.44Å; D331-Y335 PolarHBondContact O-N 2.82Å; D331-Y361 PolarHBondContact OD1-OH 3.2Å; D331-Y361 WeakPolarHBondContact OD2-CE1 3.28Å; D331-Y361 PolarHBondContact OD2-OH 3.36Å; D331-Y361 VanDerWaalsContact OD2-OH 3.09Å; D331-Y366 WeakPolarHBondContact CB-OH 3.3Å; D331-Y366 WeakPolarHBondContact OD2-CE2 3.36Å; D331-Y366 VanDerWaalsContact OD2-CZ 3.3Å; D331-Y366 PolarHBondContact OD2-OH 2.96Å
332P89.1Confident93.2Very high59 Ų5926.8 Ų26.838%0.38314%0.135SC..Hα-helixtrans-62.3-29.9-177.7-25.936.7000115I231 A336I231-P332 HydrophobicContact CB-CB 4.48Å; I231-P332 HydrophobicContact CD1-CB 3.98Å; I231-P332 WeakPolarHBondContact CD1-O 3.45Å; I231-P332 HydrophobicContact CG1-CB 4.4Å; I231-P332 HydrophobicContact CG2-CB 3.39Å; I231-P332 HydrophobicContact CG2-CG 4.39Å; P332-A336 PolarHBondContact O-N 3.49Å
333V89.4Confident93.1Very high8 Ų826.7 Ų26.75%0.04814%0.135CC..Hα-helixtrans-72.7-42.9179.6-179.50000110.2I227 I231 D331 Y335 A336 Y337 Y361I227-V333 HydrophobicContact CG2-CG1 4.09Å; I231-V333 HydrophobicContact CD1-CB 4.46Å; I231-V333 HydrophobicContact CD1-CG2 4.07Å; D331-V333 VanDerWaalsContact C-N 3.27Å; D331-V333 PolarHBondContact O-N 3.27Å; D331-V333 VanDerWaalsContact OD1-CA 3.3Å; D331-V333 WeakPolarHBondContact OD1-CA 3.47Å; D331-V333 VanDerWaalsContact OD1-CB 3.31Å; D331-V333 WeakPolarHBondContact OD1-CB 3.15Å; D331-V333 PolarHBondContact OD1-N 3.05Å; V333-Y335 VanDerWaalsContact C-N 3.35Å; V333-Y335 PolarHBondContact O-N 3.48Å; V333-A336 WeakPolarHBondContact O-CB 3.34Å; V333-A336 PolarHBondContact O-N 3.03Å; V333-A336 VanDerWaalsContact O-N 3.09Å; V333-Y337 HydrophobicContact CG1-CD2 3.99Å; V333-Y337 HydrophobicContact CG1-CE2 3.66Å; V333-Y337 WeakPolarHBondContact O-CD2 3.41Å; V333-Y337 PolarHBondContact O-N 3.14Å; V333-Y361 HydrophobicContact CB-CE1 3.96Å; V333-Y361 HydrophobicContact CB-CE2 3.92Å; V333-Y361 HydrophobicContact CG1-CD1 4.26Å; V333-Y361 HydrophobicContact CG1-CD2 3.87Å; V333-Y361 HydrophobicContact CG1-CE1 3.97Å; V333-Y361 HydrophobicContact CG1-CE2 3.55Å; V333-Y361 HydrophobicContact CG1-CG 4.21Å; V333-Y361 HydrophobicContact CG2-CE2 4.17Å
334E92.7Very high92.9Very high0 Ų025.8 Ų25.80%013%0.125CC..Hα-helixtrans-58.7-46.3171.5-68.3173.7124.600111.3V330 D331 A336 Y337 L338 Y361 E362 R372 L376V330-E334 VanDerWaalsContact CA-OE2 3.23Å; V330-E334 WeakPolarHBondContact CA-OE2 3.44Å; V330-E334 HydrophobicContact CG1-CB 3.55Å; V330-E334 HydrophobicContact CG1-CG 4.5Å; V330-E334 WeakPolarHBondContact CG1-OE2 3.27Å; D331-E334 PolarHBondContact N-OE2 3.48Å; D331-E334 PolarHBondContact O-N 2.98Å; D331-E334 PolarHBondContact OD1-N 2.93Å; E334-A336 VanDerWaalsContact C-N 3.25Å; E334-A336 PolarHBondContact O-N 3.21Å; E334-Y337 PolarHBondContact O-N 3.44Å; E334-L338 VanDerWaalsContact O-CG 3.3Å; E334-L338 WeakPolarHBondContact O-CG 3.43Å; E334-L338 PolarHBondContact O-N 3.4Å; E334-Y361 HydrophobicContact CG-CD1 4.39Å; E334-Y361 HydrophobicContact CG-CE1 4.04Å; E334-E362 VanDerWaalsContact CG-OE1 3.28Å; E334-E362 WeakPolarHBondContact CG-OE1 3.42Å; E334-R372 VanDerWaalsContact CD-NH2 3.27Å; E334-R372 IonicContact OE1-CZ 3.96Å; E334-R372 IonicContact OE1-NE 3.55Å; E334-R372 PolarHBondContact OE1-NE 2.89Å; E334-R372 IonicContact OE1-NH2 3.37Å; E334-R372 PolarHBondContact OE1-NH2 2.93Å; E334-R372 IonicContact OE2-CZ 3.55Å; E334-R372 IonicContact OE2-NE 2.7Å; E334-R372 IonicContact OE2-NH2 3.99Å; E334-R372 PolarHBondContact OE2-NH2 3.01Å; E334-L376 HydrophobicContact CB-CD1 4.48Å; E334-L376 HydrophobicContact CG-CD1 4.21Å; E334-L376 WeakPolarHBondContact OE1-CD1 3.29Å
335Y93.9Very high92.3Very high10 Ų1026.3 Ų26.34%0.03913%0.13CC..Hα-helixtrans-57.9-38.7173.3-84.9-64.7000112.5L290 A293 Q294 F325 V330 D331 V333 L338 K339L290-Y335 HydrophobicContact CD2-CD1 4.5Å; A293-Y335 HydrophobicContact CB-CE1 4.01Å; Q294-Y335 HydrophobicContact CB-CD1 3.97Å; Q294-Y335 HydrophobicContact CB-CD2 3.8Å; Q294-Y335 HydrophobicContact CB-CE1 4.01Å; Q294-Y335 HydrophobicContact CB-CE2 3.82Å; Q294-Y335 HydrophobicContact CB-CG 3.87Å; Q294-Y335 HydrophobicContact CG-CD2 3.7Å; Q294-Y335 HydrophobicContact CG-CE2 4.03Å; Q294-Y335 HydrophobicContact CG-CG 4.02Å; Q294-Y335 PolarHBondContact N-OH 3.19Å; F325-Y335 WeakPolarHBondContact CB-OH 3.47Å; F325-Y335 AromaticContact CD1-CE1 3.81Å; F325-Y335 HydrophobicContact CD1-CE1 3.81Å; F325-Y335 AromaticContact CD1-CZ 3.94Å; F325-Y335 HydrophobicContact CE1-CE1 4.05Å; F325-Y335 HydrophobicContact CG-CE1 4.3Å; V330-Y335 HydrophobicContact CB-CD2 4.29Å; V330-Y335 HydrophobicContact CB-CE2 3.76Å; V330-Y335 HydrophobicContact CG1-CD1 4.37Å; V330-Y335 HydrophobicContact CG1-CD2 3.74Å; V330-Y335 HydrophobicContact CG1-CE1 4.33Å; V330-Y335 HydrophobicContact CG1-CE2 3.7Å; V330-Y335 HydrophobicContact CG1-CG 4.09Å; V330-Y335 VanDerWaalsContact O-CE2 3.26Å; V330-Y335 WeakPolarHBondContact O-CE2 3.32Å; D331-Y335 WeakPolarHBondContact O-CD2 3.44Å; D331-Y335 PolarHBondContact O-N 2.82Å; V333-Y335 VanDerWaalsContact C-N 3.35Å; V333-Y335 PolarHBondContact O-N 3.48Å; Y335-L338 PolarHBondContact O-N 3.29Å; Y335-K339 VanDerWaalsContact O-CE 3.3Å; Y335-K339 WeakPolarHBondContact O-CE 3.27Å; Y335-K339 VanDerWaalsContact O-CG 3.3Å; Y335-K339 WeakPolarHBondContact O-CG 3.35Å; Y335-K339 PolarHBondContact O-N 3.23Å
336A92Very high91.5Very high2 Ų229.6 Ų29.62%0.01716%0.163CC..Hα-helixtrans-65.2-45.9176.200000111.6I227 I231 P332 V333 E334 L338 K339 I340I227-A336 HydrophobicContact CG2-CB 3.36Å; I231-A336 HydrophobicContact CD1-CB 3.82Å; I231-A336 HydrophobicContact CG1-CB 4.04Å; P332-A336 PolarHBondContact O-N 3.49Å; V333-A336 WeakPolarHBondContact O-CB 3.34Å; V333-A336 PolarHBondContact O-N 3.03Å; V333-A336 VanDerWaalsContact O-N 3.09Å; E334-A336 VanDerWaalsContact C-N 3.25Å; E334-A336 PolarHBondContact O-N 3.21Å; A336-L338 VanDerWaalsContact C-N 3.33Å; A336-L338 PolarHBondContact O-N 3.47Å; A336-K339 PolarHBondContact O-N 2.9Å; A336-K339 VanDerWaalsContact O-N 3.14Å; A336-I340 VanDerWaalsContact O-CG1 3.3Å; A336-I340 WeakPolarHBondContact O-CG1 3.39Å; A336-I340 PolarHBondContact O-N 3.1Å
337Y92.7Very high91.1Very high5 Ų528 Ų282%0.0216%0.16CC..Hα-helixtrans-59.6-42.3174.8-77.4-60.8000112.5V224 I227 V333 E334 K339 I340 M341 N357 M358 Y361V224-Y337 WeakPolarHBondContact CG2-OH 2.82Å; I227-Y337 HydrophobicContact CD1-CD1 4.16Å; I227-Y337 HydrophobicContact CD1-CE1 3.57Å; I227-Y337 HydrophobicContact CD1-CE2 4.31Å; V333-Y337 HydrophobicContact CG1-CD2 3.99Å; V333-Y337 HydrophobicContact CG1-CE2 3.66Å; V333-Y337 WeakPolarHBondContact O-CD2 3.41Å; V333-Y337 PolarHBondContact O-N 3.14Å; E334-Y337 PolarHBondContact O-N 3.44Å; Y337-K339 VanDerWaalsContact C-N 3.34Å; Y337-K339 PolarHBondContact O-N 3.29Å; Y337-I340 PolarHBondContact O-N 3.39Å; Y337-M341 WeakPolarHBondContact O-CE 3.41Å; Y337-M341 WeakPolarHBondContact O-CG 3.32Å; Y337-M341 PolarHBondContact O-N 3.48Å; Y337-N357 HydrophobicContact CE1-CB 3.64Å; Y337-M358 HydrophobicContact CD1-CB 4.25Å; Y337-M358 HydrophobicContact CD2-CB 3.95Å; Y337-M358 HydrophobicContact CD2-CG 3.89Å; Y337-M358 HydrophobicContact CG-CB 3.78Å; Y337-M358 HydrophobicContact CG-CG 3.97Å; Y337-Y361 HydrophobicContact CE2-CG 4.24Å
338L94.9Very high90.7Very high0 Ų029.1 Ų29.10%016%0.163CC..Hα-helixtrans-56.6-45.6173.1-69171.7000112.1L290 F325 E334 Y335 A336 M341 V342 Q380L290-L338 HydrophobicContact CD1-CB 3.88Å; L290-L338 HydrophobicContact CD2-CB 4.04Å; L290-L338 HydrophobicContact CD2-CD1 4.15Å; F325-L338 HydrophobicContact CE1-CD1 3.67Å; F325-L338 HydrophobicContact CZ-CD1 4.19Å; E334-L338 VanDerWaalsContact O-CG 3.3Å; E334-L338 WeakPolarHBondContact O-CG 3.43Å; E334-L338 PolarHBondContact O-N 3.4Å; Y335-L338 PolarHBondContact O-N 3.29Å; A336-L338 VanDerWaalsContact C-N 3.33Å; A336-L338 PolarHBondContact O-N 3.47Å; L338-M341 HydrophobicContact CD2-CE 3.87Å; L338-M341 HydrophobicContact CG-CE 4.42Å; L338-M341 PolarHBondContact O-N 2.93Å; L338-V342 WeakPolarHBondContact O-CG2 3.36Å; L338-V342 PolarHBondContact O-N 2.99Å; L338-Q380 HydrophobicContact CD2-CB 3.89Å; L338-Q380 HydrophobicContact CD2-CG 4.1Å
339K94.2Very high90.3Very high5 Ų532.3 Ų32.32%0.02218%0.183CC..Hα-helixtrans-68-40.4177-70.3177.4-61.3-164.50112.4W261 L287 L290 L291 Y335 A336 Y337 M341 V342 L343W261-K339 HydrophobicContact CE3-CB 4.33Å; W261-K339 HydrophobicContact CH2-CB 3.54Å; W261-K339 HydrophobicContact CZ2-CB 4.31Å; W261-K339 HydrophobicContact CZ3-CB 3.54Å; L287-K339 HydrophobicContact CD2-CB 3.96Å; L287-K339 HydrophobicContact CD2-CG 4.18Å; L290-K339 HydrophobicContact CB-CD 4.47Å; L290-K339 HydrophobicContact CB-CG 3.93Å; L290-K339 HydrophobicContact CD1-CB 4.48Å; L290-K339 HydrophobicContact CD1-CG 3.77Å; L291-K339 HydrophobicContact CD2-CD 3.9Å; L291-K339 HydrophobicContact CG-CD 4.12Å; Y335-K339 VanDerWaalsContact O-CE 3.3Å; Y335-K339 WeakPolarHBondContact O-CE 3.27Å; Y335-K339 VanDerWaalsContact O-CG 3.3Å; Y335-K339 WeakPolarHBondContact O-CG 3.35Å; Y335-K339 PolarHBondContact O-N 3.23Å; A336-K339 PolarHBondContact O-N 2.9Å; A336-K339 VanDerWaalsContact O-N 3.14Å; Y337-K339 VanDerWaalsContact C-N 3.34Å; Y337-K339 PolarHBondContact O-N 3.29Å; K339-M341 VanDerWaalsContact C-N 3.34Å; K339-M341 PolarHBondContact O-N 3.3Å; K339-V342 PolarHBondContact O-N 3.11Å; K339-L343 PolarHBondContact O-N 2.84Å
340I93.1Very high90Very high10 Ų1028 Ų285%0.05116%0.163CC..Hα-helixtrans-59.8-45.9175-68.6174.2000110.1I227 W261 A336 Y337 V342 L343 L344 A354I227-I340 HydrophobicContact CD1-CD1 3.83Å; I227-I340 HydrophobicContact CG1-CD1 4.16Å; W261-I340 HydrophobicContact CH2-CG1 3.81Å; A336-I340 VanDerWaalsContact O-CG1 3.3Å; A336-I340 WeakPolarHBondContact O-CG1 3.39Å; A336-I340 PolarHBondContact O-N 3.1Å; Y337-I340 PolarHBondContact O-N 3.39Å; I340-V342 PolarHBondContact O-N 3.23Å; I340-L343 PolarHBondContact O-N 2.89Å; I340-L343 VanDerWaalsContact O-N 3.1Å; I340-L344 HydrophobicContact CG2-CD1 3.52Å; I340-L344 HydrophobicContact CG2-CG 4.15Å; I340-L344 WeakPolarHBondContact O-CG 3.5Å; I340-L344 PolarHBondContact O-N 3.34Å; I340-A354 HydrophobicContact CG2-CB 3.93Å
341M92.7Very high89.5Confident0 Ų029.1 Ų29.10%017%0.166CC..Hα-helixtrans-61.9-32.1177.8-75.5-176.3-86.700112.9Y337 L338 K339 A345 A354 R355 M358 F377 Q380Y337-M341 WeakPolarHBondContact O-CE 3.41Å; Y337-M341 WeakPolarHBondContact O-CG 3.32Å; Y337-M341 PolarHBondContact O-N 3.48Å; L338-M341 HydrophobicContact CD2-CE 3.87Å; L338-M341 HydrophobicContact CG-CE 4.42Å; L338-M341 PolarHBondContact O-N 2.93Å; K339-M341 VanDerWaalsContact C-N 3.34Å; K339-M341 PolarHBondContact O-N 3.3Å; M341-A345 WeakPolarHBondContact O-CB 3.5Å; M341-A345 PolarHBondContact O-N 3.22Å; M341-A354 HydrophobicContact CG-CB 3.82Å; M341-R355 HydrophobicContact CG-CG 4.27Å; M341-R355 HydrophobicContact SD-CB 4.43Å; M341-R355 HydrophobicContact SD-CG 3.34Å; M341-R355 WeakPolarHBondContact SD-CG 3.16Å; M341-M358 HydrophobicContact CE-SD 3.55Å; M341-M358 VanDerWaalsContact CE-SD 3.55Å; M341-F377 HydrophobicContact CE-CD1 4.1Å; M341-F377 HydrophobicContact CE-CE1 3.65Å; M341-F377 HydrophobicContact SD-CD1 4.2Å; M341-F377 HydrophobicContact SD-CE1 3.78Å; M341-Q380 VanDerWaalsContact CB-NE2 3.31Å
342V94.4Very high89.4Confident1 Ų132.8 Ų32.81%0.00618%0.183CC..Hα-helixtrans-69-43.5172.9173.90000111R283 E286 L287 L290 L338 K339 I340 A345R283-V342 HydrophobicContact CB-CG1 4.02Å; E286-V342 HydrophobicContact CB-CG1 3.88Å; E286-V342 HydrophobicContact CB-CG2 4.14Å; L287-V342 HydrophobicContact CD2-CB 3.78Å; L287-V342 HydrophobicContact CD2-CG1 3.72Å; L287-V342 HydrophobicContact CG-CB 4.37Å; L287-V342 HydrophobicContact CG-CG1 3.75Å; L290-V342 HydrophobicContact CD1-CG2 4.03Å; L338-V342 WeakPolarHBondContact O-CG2 3.36Å; L338-V342 PolarHBondContact O-N 2.99Å; K339-V342 PolarHBondContact O-N 3.11Å; I340-V342 PolarHBondContact O-N 3.23Å; V342-A345 WeakPolarHBondContact O-CB 3.47Å; V342-A345 PolarHBondContact O-N 3.49Å
343L92.3Very high89.4Confident0 Ų034 Ų340%019%0.187CC..Hα-helixtrans-67.6-33.1179.4-74.3-176.3000114.1W261 P262 V265 F268 I279 L280 L287 K339 I340 A345W261-L343 HydrophobicContact CE3-CD1 3.82Å; W261-L343 HydrophobicContact CH2-CD1 4.43Å; W261-L343 HydrophobicContact CZ3-CD1 3.39Å; W261-L343 HydrophobicContact CZ3-CG 4.21Å; P262-L343 HydrophobicContact CB-CD1 3.78Å; P262-L343 HydrophobicContact CB-CD2 3.82Å; P262-L343 HydrophobicContact CB-CG 4.49Å; P262-L343 HydrophobicContact CG-CD1 4.18Å; P262-L343 HydrophobicContact CG-CD2 3.86Å; V265-L343 HydrophobicContact CB-CD1 4.25Å; V265-L343 HydrophobicContact CG2-CD1 3.98Å; F268-L343 HydrophobicContact CB-CD1 4.36Å; F268-L343 HydrophobicContact CD2-CB 3.88Å; F268-L343 HydrophobicContact CD2-CD1 4.47Å; F268-L343 HydrophobicContact CD2-CD2 3.98Å; F268-L343 HydrophobicContact CD2-CG 4.35Å; F268-L343 HydrophobicContact CE2-CB 4.46Å; F268-L343 HydrophobicContact CE2-CD2 3.88Å; F268-L343 HydrophobicContact CG-CB 4.38Å; F268-L343 HydrophobicContact CG-CD1 4.23Å; F268-L343 HydrophobicContact CG-CD2 4.37Å; F268-L343 HydrophobicContact CZ-CD2 4.19Å; I279-L343 WeakPolarHBondContact CD1-O 3.37Å; L280-L343 HydrophobicContact CD2-CD2 4.15Å; L287-L343 HydrophobicContact CD1-CD2 3.61Å; L287-L343 HydrophobicContact CD1-CG 4.34Å; L287-L343 HydrophobicContact CD2-CD2 4.35Å; L287-L343 HydrophobicContact CD2-CG 4.2Å; K339-L343 PolarHBondContact O-N 2.84Å; I340-L343 PolarHBondContact O-N 2.89Å; I340-L343 VanDerWaalsContact O-N 3.1Å; L343-A345 VanDerWaalsContact C-N 3.35Å
344L89.1Confident89.3Confident4 Ų433.9 Ų33.92%0.02119%0.186CC..THydrogen-bonded Turntrans-99.111.3-176.9-55.2179.8000112Q267 F268 I340 G346 E347 F350Q267-L344 HydrophobicContact CB-CD1 4.03Å; Q267-L344 HydrophobicContact CB-CD2 4.02Å; F268-L344 HydrophobicContact CB-CD2 4.29Å; I340-L344 HydrophobicContact CG2-CD1 3.52Å; I340-L344 HydrophobicContact CG2-CG 4.15Å; I340-L344 WeakPolarHBondContact O-CG 3.5Å; I340-L344 PolarHBondContact O-N 3.34Å; L344-G346 PolarHBondContact O-N 2.98Å; L344-G346 VanDerWaalsContact O-N 3.11Å; L344-E347 PolarHBondContact O-N 3.22Å; L344-E347 VanDerWaalsContact O-N 3.09Å; L344-F350 HydrophobicContact CB-CB 4.04Å; L344-F350 HydrophobicContact CD1-CB 3.83Å; L344-F350 HydrophobicContact CG-CB 4.38Å
345A83.6Confident89.3Confident15 Ų1538.7 Ų38.712%0.12420%0.204CC..THydrogen-bonded Turntrans-69.8111.2179.600000111.1M341 V342 L343M341-A345 WeakPolarHBondContact O-CB 3.5Å; M341-A345 PolarHBondContact O-N 3.22Å; V342-A345 WeakPolarHBondContact O-CB 3.47Å; V342-A345 PolarHBondContact O-N 3.49Å; L343-A345 VanDerWaalsContact C-N 3.35Å
346G79Confident89.1Confident68 Ų6840.4 Ų40.470%0.70122%0.221SC*.THydrogen-bonded Turntrans130.4-31.8-172.500000111.5L344 K348L344-G346 PolarHBondContact O-N 2.98Å; L344-G346 VanDerWaalsContact O-N 3.11Å; G346-K348 PolarHBondContact O-N 3.45Å
347E84.2Confident89Confident62 Ų6241.2 Ų41.229%0.2923%0.225SC..  trans-96.291.4173.1-64.5-58.4149.400109.3L271 Q275 L344 T349 F350 E351L271-E347 HydrophobicContact CD2-CG 3.95Å; Q275-E347 PolarHBondContact NE2-OE1 3.12Å; Q275-E347 VanDerWaalsContact NE2-OE1 3.13Å; L344-E347 PolarHBondContact O-N 3.22Å; L344-E347 VanDerWaalsContact O-N 3.09Å; E347-T349 PolarHBondContact O-N 3.23Å; E347-T349 VanDerWaalsContact O-N 3.13Å; E347-F350 HydrophobicContact CB-CB 4.11Å; E347-F350 HydrophobicContact CB-CD2 3.53Å; E347-F350 HydrophobicContact CB-CE2 4.42Å; E347-F350 HydrophobicContact CB-CG 4.26Å; E347-F350 HydrophobicContact CG-CD2 3.95Å; E347-F350 HydrophobicContact CG-CE2 4.48Å; E347-F350 PolarHBondContact O-N 3.33Å; E347-F350 VanDerWaalsContact O-N 3.09Å; E347-E351 PolarHBondContact O-N 2.61Å
348K84.3Confident88.9Confident144 Ų14441 Ų4163%0.62622%0.224SC*.Hα-helixtrans-51.4-42.1-171.7-177.1179.6172.3-173.40112.8G346 E352G346-K348 PolarHBondContact O-N 3.45Å; K348-E352 WeakPolarHBondContact CE-OE1 3.17Å; K348-E352 HydrophobicContact CG-CG 4.38Å; K348-E352 IonicContact NZ-OE1 3.57Å; K348-E352 VanDerWaalsContact O-CB 3.29Å; K348-E352 WeakPolarHBondContact O-CB 3.5Å; K348-E352 WeakPolarHBondContact O-CG 3.45Å; K348-E352 PolarHBondContact O-N 3.47Å
349T86.1Confident88.7Confident93 Ų9342.7 Ų42.757%0.57124%0.236SC*.Hα-helixtrans-64.3-47.1-179.647.80000112E347 E352 N353E347-T349 PolarHBondContact O-N 3.23Å; E347-T349 VanDerWaalsContact O-N 3.13Å; T349-E352 PolarHBondContact O-N 3.48Å; T349-N353 WeakPolarHBondContact O-CB 3.5Å; T349-N353 PolarHBondContact O-N 3.4Å
350F86.5Confident88.6Confident70 Ų7044.2 Ų44.231%0.30724%0.244SC..Hα-helixtrans-69.4-38.8179.5-66.3-45.9000112.2L344 E347 N353 A354L344-F350 HydrophobicContact CB-CB 4.04Å; L344-F350 HydrophobicContact CD1-CB 3.83Å; L344-F350 HydrophobicContact CG-CB 4.38Å; E347-F350 HydrophobicContact CB-CB 4.11Å; E347-F350 HydrophobicContact CB-CD2 3.53Å; E347-F350 HydrophobicContact CB-CE2 4.42Å; E347-F350 HydrophobicContact CB-CG 4.26Å; E347-F350 HydrophobicContact CG-CD2 3.95Å; E347-F350 HydrophobicContact CG-CE2 4.48Å; E347-F350 PolarHBondContact O-N 3.33Å; E347-F350 VanDerWaalsContact O-N 3.09Å; F350-N353 PolarHBondContact O-N 2.92Å; F350-A354 WeakPolarHBondContact O-CB 3.17Å; F350-A354 PolarHBondContact O-N 2.59Å
351E84.8Confident88.4Confident37 Ų3745 Ų4517%0.17325%0.246CC..Hα-helixtrans-64.6-43.6175.3-171.4179.5-174.300111.7E347 A354 R355E347-E351 PolarHBondContact O-N 2.61Å; E351-A354 PolarHBondContact O-N 3.48Å; E351-R355 VanDerWaalsContact CD-NH2 3.27Å; E351-R355 WeakPolarHBondContact O-CG 3.27Å; E351-R355 PolarHBondContact O-N 3.38Å; E351-R355 IonicContact OE1-CZ 2.82Å; E351-R355 IonicContact OE1-NE 3.69Å; E351-R355 IonicContact OE1-NH2 3.32Å; E351-R355 PolarHBondContact OE1-NH2 3.34Å; E351-R355 IonicContact OE2-NH2 3.13Å
352E88.6Confident88.2Confident96 Ų9645.1 Ų45.145%0.44925%0.247SC..Hα-helixtrans-63.4-40.6175.6-76.5173.6169.400111.8K348 T349 R355 A356K348-E352 WeakPolarHBondContact CE-OE1 3.17Å; K348-E352 HydrophobicContact CG-CG 4.38Å; K348-E352 IonicContact NZ-OE1 3.57Å; K348-E352 VanDerWaalsContact O-CB 3.29Å; K348-E352 WeakPolarHBondContact O-CB 3.5Å; K348-E352 WeakPolarHBondContact O-CG 3.45Å; K348-E352 PolarHBondContact O-N 3.47Å; T349-E352 PolarHBondContact O-N 3.48Å; E352-R355 PolarHBondContact O-N 2.89Å; E352-A356 WeakPolarHBondContact O-CB 3.07Å; E352-A356 PolarHBondContact O-N 3.44Å
353N88.6Confident88.1Confident85 Ų8551.6 Ų51.646%0.45528%0.275SS..Hα-helixtrans-64-44.5175.9-169.963.8000112T349 F350 R355 A356 N357T349-N353 WeakPolarHBondContact O-CB 3.5Å; T349-N353 PolarHBondContact O-N 3.4Å; F350-N353 PolarHBondContact O-N 2.92Å; N353-R355 VanDerWaalsContact C-N 3.33Å; N353-R355 PolarHBondContact O-N 2.79Å; N353-A356 PolarHBondContact O-N 2.88Å; N353-N357 PolarHBondContact ND2-ND2 2.81Å; N353-N357 WeakPolarHBondContact O-CB 3.5Å; N353-N357 VanDerWaalsContact O-CG 3.22Å; N353-N357 PolarHBondContact O-N 3.28Å
354A88.7Confident87.9Confident5 Ų555.9 Ų55.94%0.04130%0.301CS..Hα-helixtrans-61-41.5176.300000112I340 M341 F350 E351 M358I340-A354 HydrophobicContact CG2-CB 3.93Å; M341-A354 HydrophobicContact CG-CB 3.82Å; F350-A354 WeakPolarHBondContact O-CB 3.17Å; F350-A354 PolarHBondContact O-N 2.59Å; E351-A354 PolarHBondContact O-N 3.48Å; A354-M358 WeakPolarHBondContact O-CB 3.43Å; A354-M358 PolarHBondContact O-N 3.37Å
355R91.4Very high87.9Confident100 Ų10060.5 Ų60.538%0.37732%0.323SS..Hα-helixtrans-64.3-43.7174.7-72.3176-169.9170.74.6112.3M341 E351 E352 N353 M358 C359 F377M341-R355 HydrophobicContact CG-CG 4.27Å; M341-R355 HydrophobicContact SD-CB 4.43Å; M341-R355 HydrophobicContact SD-CG 3.34Å; M341-R355 WeakPolarHBondContact SD-CG 3.16Å; E351-R355 VanDerWaalsContact CD-NH2 3.27Å; E351-R355 WeakPolarHBondContact O-CG 3.27Å; E351-R355 PolarHBondContact O-N 3.38Å; E351-R355 IonicContact OE1-CZ 2.82Å; E351-R355 IonicContact OE1-NE 3.69Å; E351-R355 IonicContact OE1-NH2 3.32Å; E351-R355 PolarHBondContact OE1-NH2 3.34Å; E351-R355 IonicContact OE2-NH2 3.13Å; E352-R355 PolarHBondContact O-N 2.89Å; N353-R355 VanDerWaalsContact C-N 3.33Å; N353-R355 PolarHBondContact O-N 2.79Å; R355-M358 PolarHBondContact O-N 3.39Å; R355-C359 PolarHBondContact O-N 2.93Å; R355-C359 PolarHBondContact O-SG 2.98Å; R355-C359 VanDerWaalsContact O-SG 3.33Å; R355-F377 HydrophobicContact CB-CZ 4.13Å; R355-F377 HydrophobicContact CG-CE1 4.11Å; R355-F377 HydrophobicContact CG-CZ 4.12Å
356A90.5Very high88.3Confident47 Ų4762.2 Ų62.239%0.38833%0.326SS..Hα-helixtrans-63.1-44.3178.500000111.5E352 N353 C359 N360E352-A356 WeakPolarHBondContact O-CB 3.07Å; E352-A356 PolarHBondContact O-N 3.44Å; N353-A356 PolarHBondContact O-N 2.88Å; A356-C359 WeakPolarHBondContact O-CB 3.18Å; A356-C359 PolarHBondContact O-N 3.27Å; A356-N360 PolarHBondContact O-N 3.25Å
357N89.9Confident88.7Confident18 Ų1862.2 Ų62.210%0.09631%0.314CS..Hα-helixtrans-63.3-42.6177.7-70.7-8.6000111.9Y337 N353 N360 Y361Y337-N357 HydrophobicContact CE1-CB 3.64Å; N353-N357 PolarHBondContact ND2-ND2 2.81Å; N353-N357 WeakPolarHBondContact O-CB 3.5Å; N353-N357 VanDerWaalsContact O-CG 3.22Å; N353-N357 PolarHBondContact O-N 3.28Å; N357-N360 PolarHBondContact O-N 3.48Å; N357-Y361 PolarHBondContact O-N 2.58Å
358M89.8Confident89Confident0 Ų070.4 Ų70.40%034%0.342CS..Hα-helixtrans-59.5-48.6173-166.2-178.2115.900110.9Y337 M341 A354 R355 N360 Y361 E362 P373 L376 F377Y337-M358 HydrophobicContact CD1-CB 4.25Å; Y337-M358 HydrophobicContact CD2-CB 3.95Å; Y337-M358 HydrophobicContact CD2-CG 3.89Å; Y337-M358 HydrophobicContact CG-CB 3.78Å; Y337-M358 HydrophobicContact CG-CG 3.97Å; M341-M358 HydrophobicContact CE-SD 3.55Å; M341-M358 VanDerWaalsContact CE-SD 3.55Å; A354-M358 WeakPolarHBondContact O-CB 3.43Å; A354-M358 PolarHBondContact O-N 3.37Å; R355-M358 PolarHBondContact O-N 3.39Å; M358-N360 PolarHBondContact O-N 2.91Å; M358-Y361 WeakPolarHBondContact O-CB 3.38Å; M358-Y361 PolarHBondContact O-N 3.13Å; M358-Y361 VanDerWaalsContact O-N 3.12Å; M358-E362 WeakPolarHBondContact O-CG 3.35Å; M358-E362 PolarHBondContact O-N 2.94Å; M358-P373 HydrophobicContact CE-CB 4.33Å; M358-L376 HydrophobicContact CE-CB 3.59Å; M358-L376 HydrophobicContact CE-CD1 3.45Å; M358-L376 VanDerWaalsContact CE-CD1 3.45Å; M358-L376 HydrophobicContact CE-CG 4.17Å; M358-F377 HydrophobicContact CE-CD1 3.98Å; M358-F377 HydrophobicContact CE-CE1 3.39Å; M358-F377 HydrophobicContact CE-CZ 3.77Å; M358-F377 HydrophobicContact SD-CE1 3.7Å; M358-F377 HydrophobicContact SD-CZ 4.3Å
359C92Very high89.2Confident37 Ų3767.4 Ų67.425%0.2533%0.331CS..Hα-helixtrans-59.5-32.8176.3-72.40000113.4R355 A356 K363R355-C359 PolarHBondContact O-N 2.93Å; R355-C359 PolarHBondContact O-SG 2.98Å; R355-C359 VanDerWaalsContact O-SG 3.33Å; A356-C359 WeakPolarHBondContact O-CB 3.18Å; A356-C359 PolarHBondContact O-N 3.27Å; C359-K363 VanDerWaalsContact O-CG 3.32Å; C359-K363 WeakPolarHBondContact O-CG 3.34Å; C359-K363 PolarHBondContact O-N 2.85Å
360N90.2Very high89.2Confident37 Ų3767.7 Ų67.720%0.19834%0.336CS..Hα-helixtrans-73.3-40.2175.2-73.4-14.9000111.9A356 N357 M358 E362 K363 V364A356-N360 PolarHBondContact O-N 3.25Å; N357-N360 PolarHBondContact O-N 3.48Å; M358-N360 PolarHBondContact O-N 2.91Å; N360-E362 VanDerWaalsContact C-N 3.33Å; N360-E362 PolarHBondContact O-N 3.13Å; N360-K363 PolarHBondContact O-N 3.34Å; N360-K363 PolarHBondContact OD1-NZ 3.4Å; N360-K363 VanDerWaalsContact OD1-NZ 3.17Å; N360-V364 WeakPolarHBondContact O-CG2 3.26Å; N360-V364 PolarHBondContact O-N 2.92Å
361Y89.1Confident89.4Confident25 Ų2568.5 Ų68.510%0.09834%0.343CS..Hα-helixtrans-57.3-46.7171.3178-98.4000111.3V224 D331 V333 E334 Y337 N357 M358 K363 V364 Q365 Y366V224-Y361 HydrophobicContact CG1-CD2 4.24Å; V224-Y361 HydrophobicContact CG1-CE2 4.17Å; V224-Y361 HydrophobicContact CG2-CD2 4.1Å; D331-Y361 PolarHBondContact OD1-OH 3.2Å; D331-Y361 WeakPolarHBondContact OD2-CE1 3.28Å; D331-Y361 PolarHBondContact OD2-OH 3.36Å; D331-Y361 VanDerWaalsContact OD2-OH 3.09Å; V333-Y361 HydrophobicContact CB-CE1 3.96Å; V333-Y361 HydrophobicContact CB-CE2 3.92Å; V333-Y361 HydrophobicContact CG1-CD1 4.26Å; V333-Y361 HydrophobicContact CG1-CD2 3.87Å; V333-Y361 HydrophobicContact CG1-CE1 3.97Å; V333-Y361 HydrophobicContact CG1-CE2 3.55Å; V333-Y361 HydrophobicContact CG1-CG 4.21Å; V333-Y361 HydrophobicContact CG2-CE2 4.17Å; E334-Y361 HydrophobicContact CG-CD1 4.39Å; E334-Y361 HydrophobicContact CG-CE1 4.04Å; Y337-Y361 HydrophobicContact CE2-CG 4.24Å; N357-Y361 PolarHBondContact O-N 2.58Å; M358-Y361 WeakPolarHBondContact O-CB 3.38Å; M358-Y361 PolarHBondContact O-N 3.13Å; M358-Y361 VanDerWaalsContact O-N 3.12Å; Y361-K363 PolarHBondContact O-N 3.46Å; Y361-V364 PolarHBondContact O-N 3.28Å; Y361-Q365 HydrophobicContact CD1-CG 4.23Å; Y361-Q365 HydrophobicContact CD2-CG 3.88Å; Y361-Q365 HydrophobicContact CE1-CB 4.23Å; Y361-Q365 HydrophobicContact CE1-CG 3.85Å; Y361-Q365 HydrophobicContact CE2-CG 3.44Å; Y361-Q365 VanDerWaalsContact CE2-CG 3.44Å; Y361-Q365 HydrophobicContact CG-CG 4.25Å; Y361-Q365 VanDerWaalsContact CZ-CG 3.44Å; Y361-Q365 PolarHBondContact O-N 2.95Å; Y361-Y366 HydrophobicContact CE1-CE2 4.22Å
362E90.1Very high89.8Confident4 Ų467.1 Ų67.12%0.01934%0.337CS..Hα-helixtrans-58.9-42.4177.9-69.8-49.5121.900113E334 M358 N360 V364 Y366 R372 P373E334-E362 VanDerWaalsContact CG-OE1 3.28Å; E334-E362 WeakPolarHBondContact CG-OE1 3.42Å; M358-E362 WeakPolarHBondContact O-CG 3.35Å; M358-E362 PolarHBondContact O-N 2.94Å; N360-E362 VanDerWaalsContact C-N 3.33Å; N360-E362 PolarHBondContact O-N 3.13Å; E362-V364 PolarHBondContact O-N 3.45Å; E362-Y366 CarbonylContact O-C 3.08Å; E362-Y366 VanDerWaalsContact O-CA 3.29Å; E362-Y366 WeakPolarHBondContact O-CA 3.47Å; E362-Y366 PolarHBondContact O-N 2.89Å; E362-Y366 WeakPolarHBondContact OE2-CD2 3.46Å; E362-R372 WeakPolarHBondContact OE2-CD 3.45Å; E362-R372 WeakPolarHBondContact OE2-CG 3.47Å; E362-R372 IonicContact OE2-NE 3.46Å; E362-R372 PolarHBondContact OE2-NE 3.2Å; E362-P373 HydrophobicContact CB-CG 3.95Å; E362-P373 HydrophobicContact CG-CB 4.39Å; E362-P373 HydrophobicContact CG-CG 3.79Å
363K90.5Very high89.9Confident137 Ų13763.2 Ų63.260%0.59632%0.319SS*.Hα-helixtrans-61-29.4176.7-72168.2-167.9164.50112.8C359 N360 Y361 P367C359-K363 VanDerWaalsContact O-CG 3.32Å; C359-K363 WeakPolarHBondContact O-CG 3.34Å; C359-K363 PolarHBondContact O-N 2.85Å; N360-K363 PolarHBondContact O-N 3.34Å; N360-K363 PolarHBondContact OD1-NZ 3.4Å; N360-K363 VanDerWaalsContact OD1-NZ 3.17Å; Y361-K363 PolarHBondContact O-N 3.46Å; K363-P367 WeakPolarHBondContact O-CB 3.49Å
364V89.1Confident90Very high90 Ų9065.2 Ų65.255%0.54533%0.326SS..Hα-helixtrans-88.8-46.6-176.9175.60000111.1N360 Y361 E362N360-V364 WeakPolarHBondContact O-CG2 3.26Å; N360-V364 PolarHBondContact O-N 2.92Å; Y361-V364 PolarHBondContact O-N 3.28Å; E362-V364 PolarHBondContact O-N 3.45Å
365Q88.6Confident90.2Very high101 Ų10167 Ų6747%0.47233%0.334SS..Hα-helixtrans-86-35.8-174.8-62.8-64.5-15.800113.2Y361 P367Y361-Q365 HydrophobicContact CD1-CG 4.23Å; Y361-Q365 HydrophobicContact CD2-CG 3.88Å; Y361-Q365 HydrophobicContact CE1-CB 4.23Å; Y361-Q365 HydrophobicContact CE1-CG 3.85Å; Y361-Q365 HydrophobicContact CE2-CG 3.44Å; Y361-Q365 VanDerWaalsContact CE2-CG 3.44Å; Y361-Q365 HydrophobicContact CG-CG 4.25Å; Y361-Q365 VanDerWaalsContact CZ-CG 3.44Å; Y361-Q365 PolarHBondContact O-N 2.95Å; Q365-P367 WeakPolarHBondContact O-CD 3.46Å
366Y91.3Very high90.4Very high51 Ų5162.3 Ų62.320%0.232%0.316CS..  trans-127.754.7-177.1-52.3-76.8000111.5D331 Y361 E362 W368 Q369D331-Y366 WeakPolarHBondContact CB-OH 3.3Å; D331-Y366 WeakPolarHBondContact OD2-CE2 3.36Å; D331-Y366 VanDerWaalsContact OD2-CZ 3.3Å; D331-Y366 PolarHBondContact OD2-OH 2.96Å; Y361-Y366 HydrophobicContact CE1-CE2 4.22Å; E362-Y366 CarbonylContact O-C 3.08Å; E362-Y366 VanDerWaalsContact O-CA 3.29Å; E362-Y366 WeakPolarHBondContact O-CA 3.47Å; E362-Y366 PolarHBondContact O-N 2.89Å; E362-Y366 WeakPolarHBondContact OE2-CD2 3.46Å; Y366-W368 PolarHBondContact O-N 3.09Å; Y366-Q369 PolarHBondContact O-N 3.13Å
367P88.9Confident90.6Very high68 Ų6862.5 Ų62.544%0.44231%0.308SS..THydrogen-bonded Turntrans-57.6-27.3-176.722.6-32.9000113.1K363 Q365 Q369K363-P367 WeakPolarHBondContact O-CB 3.49Å; Q365-P367 WeakPolarHBondContact O-CD 3.46Å; P367-Q369 VanDerWaalsContact C-N 3.32Å
368W89.4Confident90.7Very high233 Ų23362.6 Ų62.688%0.88331%0.313SS*.THydrogen-bonded Turntrans-79-11.7179.5-25.8104.2000113.6Y366Y366-W368 PolarHBondContact O-N 3.09Å
369Q89.1Confident90.9Very high82 Ų8262.6 Ų62.638%0.38331%0.313SS..  trans-114.664.5-174.8-54.7-173.635.300111.1Y366 P367 L371 R372Y366-Q369 PolarHBondContact O-N 3.13Å; P367-Q369 VanDerWaalsContact C-N 3.32Å; Q369-L371 PolarHBondContact O-N 2.88Å; Q369-R372 HydrophobicContact CB-CB 3.79Å; Q369-R372 WeakPolarHBondContact O-CB 3.49Å; Q369-R372 PolarHBondContact O-N 3.37Å
370S86.8Confident91Very high99 Ų9961.8 Ų61.869%0.69231%0.306SS*.THydrogen-bonded Turntrans-58.1-25.2-175.762.10000115.2
371L89.7Confident91.2Very high87 Ų8761.6 Ų61.646%0.45531%0.31SS..THydrogen-bonded Turntrans-89.1-6.5176.9-63.3179.4000113.7L120 Q369 H374 M375L120-L371 HydrophobicContact CD1-CD1 4.44Å; Q369-L371 PolarHBondContact O-N 2.88Å; L371-H374 WeakPolarHBondContact O-CB 3.38Å; L371-H374 PolarHBondContact O-N 3.04Å; L371-M375 PolarHBondContact O-N 2.92Å
372R92.9Very high91.3Very high8 Ų860.8 Ų60.83%0.0331%0.307CS..Hα-helixtrans-54.5-46.9-176.6-176.1165.9-179.998.76.4114L328 Q329 E334 E362 Q369 H374 M375 L376L328-R372 PolarHBondContact O-NH1 3.09Å; L328-R372 PolarHBondContact O-NH2 2.58Å; L328-R372 VanDerWaalsContact O-NH2 3.12Å; Q329-R372 PolarHBondContact O-NH2 3.32Å; E334-R372 VanDerWaalsContact CD-NH2 3.27Å; E334-R372 IonicContact OE1-CZ 3.96Å; E334-R372 IonicContact OE1-NE 3.55Å; E334-R372 PolarHBondContact OE1-NE 2.89Å; E334-R372 IonicContact OE1-NH2 3.37Å; E334-R372 PolarHBondContact OE1-NH2 2.93Å; E334-R372 IonicContact OE2-CZ 3.55Å; E334-R372 IonicContact OE2-NE 2.7Å; E334-R372 IonicContact OE2-NH2 3.99Å; E334-R372 PolarHBondContact OE2-NH2 3.01Å; E362-R372 WeakPolarHBondContact OE2-CD 3.45Å; E362-R372 WeakPolarHBondContact OE2-CG 3.47Å; E362-R372 IonicContact OE2-NE 3.46Å; E362-R372 PolarHBondContact OE2-NE 3.2Å; Q369-R372 HydrophobicContact CB-CB 3.79Å; Q369-R372 WeakPolarHBondContact O-CB 3.49Å; Q369-R372 PolarHBondContact O-N 3.37Å; R372-H374 VanDerWaalsContact C-N 3.27Å; R372-H374 PolarHBondContact O-N 3.26Å; R372-M375 WeakPolarHBondContact O-CB 3.48Å; R372-M375 PolarHBondContact O-N 3.42Å; R372-M375 VanDerWaalsContact O-N 3.11Å; R372-L376 HydrophobicContact CG-CD1 3.97Å; R372-L376 HydrophobicContact CG-CG 4.46Å; R372-L376 WeakPolarHBondContact O-CG 3.36Å; R372-L376 PolarHBondContact O-N 2.94Å
373P91Very high91.6Very high13 Ų1360.6 Ų60.68%0.08431%0.306CS..Hα-helixtrans-56.9-40.9174.7-11.613.2000112.9M358 E362 M375 L376 F377M358-P373 HydrophobicContact CE-CB 4.33Å; E362-P373 HydrophobicContact CB-CG 3.95Å; E362-P373 HydrophobicContact CG-CB 4.39Å; E362-P373 HydrophobicContact CG-CG 3.79Å; P373-M375 VanDerWaalsContact C-N 3.34Å; P373-M375 PolarHBondContact O-N 3.38Å; P373-L376 PolarHBondContact O-N 3.41Å; P373-F377 HydrophobicContact CB-CD2 4.46Å; P373-F377 HydrophobicContact CB-CE2 3.9Å; P373-F377 HydrophobicContact CB-CZ 4.29Å; P373-F377 WeakPolarHBondContact O-CD2 3.41Å; P373-F377 WeakPolarHBondContact O-CG 3.44Å; P373-F377 PolarHBondContact O-N 2.9Å
374H91.1Very high91.8Very high127 Ų12760.3 Ų60.359%0.58830%0.301SS*.Hα-helixtrans-65.6-38.3179.5-62.392000112L371 R372 G378L371-H374 WeakPolarHBondContact O-CB 3.38Å; L371-H374 PolarHBondContact O-N 3.04Å; R372-H374 VanDerWaalsContact C-N 3.27Å; R372-H374 PolarHBondContact O-N 3.26Å; H374-G378 PolarHBondContact O-N 3.49Å
375M93.3Very high91.9Very high44 Ų4459 Ų5922%0.21729%0.291CS..Hα-helixtrans-64.2-44.6174.7-65-60.6-71.500110.9F114 L328 L371 R372 P373 G378 L379F114-M375 HydrophobicContact CE1-CE 4.28Å; F114-M375 HydrophobicContact CE2-CE 4.17Å; F114-M375 HydrophobicContact CE2-SD 4.08Å; F114-M375 HydrophobicContact CZ-CE 3.79Å; F114-M375 VanDerWaalsContact CZ-O 3.28Å; F114-M375 WeakPolarHBondContact CZ-O 3.38Å; F114-M375 HydrophobicContact CZ-SD 4.22Å; L328-M375 HydrophobicContact CD1-CB 3.92Å; L371-M375 PolarHBondContact O-N 2.92Å; R372-M375 WeakPolarHBondContact O-CB 3.48Å; R372-M375 PolarHBondContact O-N 3.42Å; R372-M375 VanDerWaalsContact O-N 3.11Å; P373-M375 VanDerWaalsContact C-N 3.34Å; P373-M375 PolarHBondContact O-N 3.38Å; M375-G378 PolarHBondContact O-N 3.04Å; M375-L379 WeakPolarHBondContact O-CG 3.21Å; M375-L379 PolarHBondContact O-N 3.4Å
376L95Very high92.2Very high0 Ų054.3 Ų54.30%027%0.269CS..Hα-helixtrans-65.3-44179-65.8167.7000112.3L328 V330 E334 M358 R372 P373 G378 L379 Q380L328-L376 HydrophobicContact CD1-CD2 4.49Å; V330-L376 HydrophobicContact CB-CD2 4.39Å; V330-L376 HydrophobicContact CG1-CD2 4.01Å; V330-L376 HydrophobicContact CG2-CD2 3.42Å; V330-L376 VanDerWaalsContact CG2-CD2 3.42Å; E334-L376 HydrophobicContact CB-CD1 4.48Å; E334-L376 HydrophobicContact CG-CD1 4.21Å; E334-L376 WeakPolarHBondContact OE1-CD1 3.29Å; M358-L376 HydrophobicContact CE-CB 3.59Å; M358-L376 HydrophobicContact CE-CD1 3.45Å; M358-L376 VanDerWaalsContact CE-CD1 3.45Å; M358-L376 HydrophobicContact CE-CG 4.17Å; R372-L376 HydrophobicContact CG-CD1 3.97Å; R372-L376 HydrophobicContact CG-CG 4.46Å; R372-L376 WeakPolarHBondContact O-CG 3.36Å; R372-L376 PolarHBondContact O-N 2.94Å; P373-L376 PolarHBondContact O-N 3.41Å; L376-G378 VanDerWaalsContact C-N 3.29Å; L376-G378 PolarHBondContact O-N 2.98Å; L376-L379 WeakPolarHBondContact O-CB 3.41Å; L376-L379 PolarHBondContact O-N 3.09Å; L376-Q380 PolarHBondContact O-N 3.17Å
377F94Very high92.3Very high52 Ų5253.8 Ų53.823%0.22827%0.273CS..Hα-helixtrans-65.4-34174.4-59.2-33.8000112M341 R355 M358 P373 Q380 A381M341-F377 HydrophobicContact CE-CD1 4.1Å; M341-F377 HydrophobicContact CE-CE1 3.65Å; M341-F377 HydrophobicContact SD-CD1 4.2Å; M341-F377 HydrophobicContact SD-CE1 3.78Å; R355-F377 HydrophobicContact CB-CZ 4.13Å; R355-F377 HydrophobicContact CG-CE1 4.11Å; R355-F377 HydrophobicContact CG-CZ 4.12Å; M358-F377 HydrophobicContact CE-CD1 3.98Å; M358-F377 HydrophobicContact CE-CE1 3.39Å; M358-F377 HydrophobicContact CE-CZ 3.77Å; M358-F377 HydrophobicContact SD-CE1 3.7Å; M358-F377 HydrophobicContact SD-CZ 4.3Å; P373-F377 HydrophobicContact CB-CD2 4.46Å; P373-F377 HydrophobicContact CB-CE2 3.9Å; P373-F377 HydrophobicContact CB-CZ 4.29Å; P373-F377 WeakPolarHBondContact O-CD2 3.41Å; P373-F377 WeakPolarHBondContact O-CG 3.44Å; P373-F377 PolarHBondContact O-N 2.9Å; F377-Q380 PolarHBondContact O-N 2.81Å; F377-A381 PolarHBondContact O-N 2.83Å
378G92.6Very high92.5Very high19 Ų1952.5 Ų52.520%0.19627%0.266CS..Hα-helixtrans-62.1-46.2171.500000112.2H374 M375 L376 A381 L382H374-G378 PolarHBondContact O-N 3.49Å; M375-G378 PolarHBondContact O-N 3.04Å; L376-G378 VanDerWaalsContact C-N 3.29Å; L376-G378 PolarHBondContact O-N 2.98Å; G378-A381 PolarHBondContact O-N 2.93Å; G378-L382 WeakPolarHBondContact O-CG 3.5Å; G378-L382 PolarHBondContact O-N 2.93Å; G378-L382 VanDerWaalsContact O-N 3.13Å
379L94.7Very high92.7Very high0 Ų043.2 Ų43.20%024%0.239CC..Hα-helixtrans-61.3-43.7173.4-72.8176.9000112.1F114 V321 K324 F325 L328 M375 L376 A381 L382 V383F114-L379 HydrophobicContact CD1-CD2 4.47Å; F114-L379 HydrophobicContact CE1-CD2 3.52Å; F114-L379 HydrophobicContact CE1-CG 3.87Å; F114-L379 HydrophobicContact CZ-CD2 4.05Å; F114-L379 HydrophobicContact CZ-CG 3.87Å; V321-L379 HydrophobicContact CG1-CD2 4.39Å; K324-L379 HydrophobicContact CB-CD1 4.41Å; K324-L379 HydrophobicContact CB-CD2 3.77Å; K324-L379 HydrophobicContact CG-CD1 4.13Å; K324-L379 HydrophobicContact CG-CD2 3.76Å; K324-L379 HydrophobicContact CG-CG 4.36Å; F325-L379 HydrophobicContact CD1-CD1 3.82Å; F325-L379 HydrophobicContact CD2-CD1 4.3Å; F325-L379 HydrophobicContact CE1-CB 4.15Å; F325-L379 HydrophobicContact CE1-CD1 3.83Å; F325-L379 HydrophobicContact CE2-CB 4.09Å; F325-L379 HydrophobicContact CE2-CD1 4.34Å; F325-L379 HydrophobicContact CG-CD1 4.03Å; F325-L379 HydrophobicContact CZ-CB 3.71Å; F325-L379 HydrophobicContact CZ-CD1 4.1Å; F325-L379 HydrophobicContact CZ-CG 4.49Å; L328-L379 HydrophobicContact CD1-CD1 3.72Å; M375-L379 WeakPolarHBondContact O-CG 3.21Å; M375-L379 PolarHBondContact O-N 3.4Å; L376-L379 WeakPolarHBondContact O-CB 3.41Å; L376-L379 PolarHBondContact O-N 3.09Å; L379-A381 VanDerWaalsContact C-N 3.28Å; L379-A381 PolarHBondContact O-N 3.47Å; L379-L382 HydrophobicContact CD2-CD1 4.46Å; L379-L382 WeakPolarHBondContact O-CB 3.29Å; L379-L382 PolarHBondContact O-N 3.13Å; L379-V383 WeakPolarHBondContact O-CG2 3.03Å; L379-V383 PolarHBondContact O-N 3.48Å
380Q94.3Very high93Very high20 Ų2039.3 Ų39.39%0.09322%0.221CC..Hα-helixtrans-58.7-41.5176.3-166.2-176.7-8.600111.9L338 M341 L376 F377 L382 V383 R384L338-Q380 HydrophobicContact CD2-CB 3.89Å; L338-Q380 HydrophobicContact CD2-CG 4.1Å; M341-Q380 VanDerWaalsContact CB-NE2 3.31Å; L376-Q380 PolarHBondContact O-N 3.17Å; F377-Q380 PolarHBondContact O-N 2.81Å; Q380-L382 VanDerWaalsContact C-N 3.28Å; Q380-L382 PolarHBondContact O-N 3.31Å; Q380-V383 PolarHBondContact O-N 2.73Å; Q380-R384 PolarHBondContact O-N 2.98Å
381A92.7Very high93.3Very high34 Ų3434.6 Ų34.628%0.28119%0.188SC..Hα-helixtrans-64.9-33176.500000112.5F377 G378 L379 N385F377-A381 PolarHBondContact O-N 2.83Å; G378-A381 PolarHBondContact O-N 2.93Å; L379-A381 VanDerWaalsContact C-N 3.28Å; L379-A381 PolarHBondContact O-N 3.47Å; A381-N385 PolarHBondContact O-ND2 3.31Å; A381-N385 VanDerWaalsContact O-ND2 3.08Å
382L93.3Very high93.5Very high7 Ų732.3 Ų32.34%0.03718%0.175CC..Hα-helixtrans-71.2-43.4173.6-66.4171.9000111.7M111 F114 F115 V321 G378 L379 Q380 R384 N385 I386M111-L382 HydrophobicContact SD-CD1 3.66Å; M111-L382 HydrophobicContact SD-CD2 3.74Å; M111-L382 HydrophobicContact SD-CG 4.28Å; F114-L382 HydrophobicContact CD1-CD1 3.83Å; F114-L382 HydrophobicContact CE1-CD1 4.27Å; F114-L382 HydrophobicContact CG-CD1 4.23Å; F115-L382 HydrophobicContact CE2-CD1 3.78Å; V321-L382 HydrophobicContact CG2-CB 3.73Å; V321-L382 HydrophobicContact CG2-CD1 4.09Å; G378-L382 WeakPolarHBondContact O-CG 3.5Å; G378-L382 PolarHBondContact O-N 2.93Å; G378-L382 VanDerWaalsContact O-N 3.13Å; L379-L382 HydrophobicContact CD2-CD1 4.46Å; L379-L382 WeakPolarHBondContact O-CB 3.29Å; L379-L382 PolarHBondContact O-N 3.13Å; Q380-L382 VanDerWaalsContact C-N 3.28Å; Q380-L382 PolarHBondContact O-N 3.31Å; L382-R384 VanDerWaalsContact C-N 3.29Å; L382-R384 PolarHBondContact O-N 3.18Å; L382-N385 PolarHBondContact O-N 3.13Å; L382-I386 PolarHBondContact O-N 3.12Å
383V95.1Very high93.5Very high1 Ų134.5 Ų34.51%0.00619%0.185CC..Hα-helixtrans-54.2-46.3174.1170.30000110.8E286 I289 L290 V321 F325 L379 Q380 N385 I386E286-V383 HydrophobicContact CB-CG1 4.07Å; E286-V383 HydrophobicContact CG-CG1 4.3Å; I289-V383 HydrophobicContact CB-CG1 3.99Å; I289-V383 HydrophobicContact CD1-CG1 4.31Å; I289-V383 HydrophobicContact CG2-CB 4.48Å; I289-V383 HydrophobicContact CG2-CG1 3.85Å; I289-V383 HydrophobicContact CG2-CG2 3.93Å; L290-V383 HydrophobicContact CD2-CG2 4.48Å; V321-V383 HydrophobicContact CG1-CG2 3.73Å; F325-V383 HydrophobicContact CE2-CG2 3.87Å; F325-V383 HydrophobicContact CZ-CG2 4.31Å; L379-V383 WeakPolarHBondContact O-CG2 3.03Å; L379-V383 PolarHBondContact O-N 3.48Å; Q380-V383 PolarHBondContact O-N 2.73Å; V383-N385 PolarHBondContact O-N 3.46Å; V383-N385 VanDerWaalsContact O-N 3.13Å; V383-I386 PolarHBondContact O-N 3.04Å; V383-I386 VanDerWaalsContact O-N 3.07Å
384R94.1Very high93.5Very high130 Ų13034.3 Ų34.349%0.49118%0.183SC..THydrogen-bonded Turntrans-59.3-24.2177.9-174.5179.664.5-157.3-6.2114.2Q380 L382Q380-R384 PolarHBondContact O-N 2.98Å; L382-R384 VanDerWaalsContact C-N 3.29Å; L382-R384 PolarHBondContact O-N 3.18Å
385N92.2Very high93.6Very high64 Ų6428.4 Ų28.434%0.34216%0.156SC..THydrogen-bonded Turntrans-90.7-7-179.5-64.9-39.4000113.6L107 A381 L382 V383L107-N385 HydrophobicContact CD1-CB 3.22Å; L107-N385 HydrophobicContact CG-CB 4.43Å; A381-N385 PolarHBondContact O-ND2 3.31Å; A381-N385 VanDerWaalsContact O-ND2 3.08Å; L382-N385 PolarHBondContact O-N 3.13Å; V383-N385 PolarHBondContact O-N 3.46Å; V383-N385 VanDerWaalsContact O-N 3.13Å
386I93.8Very high93.5Very high2 Ų226.6 Ų26.61%0.0115%0.147CC..SBendtrans-79.6126.3175.5-62.5170.6000107.8H285 I289 E314 V317 L318 L382 V383 L390H285-I386 PolarHBondContact CD2-O 3.31Å; H285-I386 PolarHBondContact NE2-O 3.43Å; I289-I386 HydrophobicContact CD1-CB 3.89Å; I289-I386 HydrophobicContact CD1-CD1 4.24Å; I289-I386 HydrophobicContact CD1-CG2 3.75Å; E314-I386 HydrophobicContact CG-CG2 4.37Å; V317-I386 HydrophobicContact CG1-CG1 4.4Å; L318-I386 HydrophobicContact CB-CD1 3.97Å; L318-I386 HydrophobicContact CD1-CD1 3.75Å; L318-I386 HydrophobicContact CG-CD1 4.44Å; L382-I386 PolarHBondContact O-N 3.12Å; V383-I386 PolarHBondContact O-N 3.04Å; V383-I386 VanDerWaalsContact O-N 3.07Å; I386-L390 HydrophobicContact CG2-CD2 4.02Å
387S93.6Very high93.3Very high40 Ų4029.7 Ų29.728%0.2816%0.16SC..  trans-68.5143.2-177.276.90000112.1E314 A389 L390E314-S387 VanDerWaalsContact CD-OG 3.31Å; E314-S387 VanDerWaalsContact OE1-CB 3.25Å; E314-S387 WeakPolarHBondContact OE1-CB 3.41Å; E314-S387 PolarHBondContact OE1-N 3.13Å; E314-S387 PolarHBondContact OE1-OG 2.75Å; E314-S387 PolarHBondContact OE2-OG 3.27Å; S387-A389 PolarHBondContact O-N 3.06Å; S387-L390 PolarHBondContact O-N 2.78Å; S387-L390 PolarHBondContact OG-N 3.41Å; S387-L390 VanDerWaalsContact OG-N 3.16Å
388S94.7Very high92.9Very high40 Ų4031.1 Ų31.128%0.2817%0.17SC..Hα-helixtrans-60.3-33.6169.262.60000111.7L390 I391 E392S388-L390 VanDerWaalsContact C-N 3.31Å; S388-L390 PolarHBondContact O-N 3.25Å; S388-I391 PolarHBondContact O-N 2.88Å; S388-I391 VanDerWaalsContact O-N 3.16Å; S388-E392 WeakPolarHBondContact O-CG 3.21Å; S388-E392 PolarHBondContact O-N 3.47Å
389A92.7Very high92.6Very high39 Ų3934.9 Ų34.932%0.32219%0.19SC..Hα-helixtrans-59.2-39.1179.600000112.4S387 E392 Q393S387-A389 PolarHBondContact O-N 3.06Å; A389-E392 PolarHBondContact O-N 3.4Å; A389-Q393 WeakPolarHBondContact O-CG 3.31Å; A389-Q393 PolarHBondContact O-N 3.24Å
390L94.4Very high92.1Very high0 Ų037.6 Ų37.60%020%0.204CC..Hα-helixtrans-59.5-49.8174.6174.767.2000111.3L307 E311 E314 W315 L318 I386 S387 S388 E392 Q393 L394L307-L390 HydrophobicContact CD1-CD1 4.35Å; L307-L390 HydrophobicContact CD2-CD1 4.25Å; E311-L390 HydrophobicContact CB-CD1 4.08Å; E311-L390 WeakPolarHBondContact O-CD1 3.48Å; E314-L390 HydrophobicContact CB-CD2 3.93Å; E314-L390 HydrophobicContact CG-CD2 3.72Å; E314-L390 WeakPolarHBondContact OE2-CB 3.48Å; W315-L390 HydrophobicContact CB-CD1 4.35Å; L318-L390 HydrophobicContact CD2-CD2 4.31Å; I386-L390 HydrophobicContact CG2-CD2 4.02Å; S387-L390 PolarHBondContact O-N 2.78Å; S387-L390 PolarHBondContact OG-N 3.41Å; S387-L390 VanDerWaalsContact OG-N 3.16Å; S388-L390 VanDerWaalsContact C-N 3.31Å; S388-L390 PolarHBondContact O-N 3.25Å; L390-E392 VanDerWaalsContact C-N 3.27Å; L390-E392 PolarHBondContact O-N 3.28Å; L390-Q393 PolarHBondContact O-N 2.91Å; L390-L394 VanDerWaalsContact O-CB 3.24Å; L390-L394 WeakPolarHBondContact O-CB 3.4Å; L390-L394 PolarHBondContact O-N 3.31Å
391I94.4Very high91.8Very high0 Ų038.2 Ų38.20%022%0.215CC..Hα-helixtrans-61-41.2-179.2-55.7-56.8000110.5W284 F288 I289 F298 L318 S388 L394 L395 F396W284-I391 HydrophobicContact CH2-CB 4.11Å; W284-I391 HydrophobicContact CH2-CG2 3.82Å; W284-I391 HydrophobicContact CZ3-CG2 4Å; F288-I391 HydrophobicContact CD1-CG2 3.63Å; F288-I391 HydrophobicContact CE1-CG2 3.64Å; I289-I391 HydrophobicContact CD1-CD1 4.05Å; I289-I391 HydrophobicContact CD1-CG1 4.21Å; I289-I391 HydrophobicContact CG1-CD1 3.86Å; I289-I391 HydrophobicContact CG1-CG1 4.27Å; F298-I391 HydrophobicContact CZ-CD1 4.3Å; L318-I391 HydrophobicContact CD2-CD1 3.71Å; S388-I391 PolarHBondContact O-N 2.88Å; S388-I391 VanDerWaalsContact O-N 3.16Å; I391-L394 PolarHBondContact O-N 3.12Å; I391-L395 HydrophobicContact CG2-CD1 4.21Å; I391-L395 PolarHBondContact O-N 3.01Å; I391-L395 VanDerWaalsContact O-N 3.08Å; I391-F396 HydrophobicContact CG2-CD2 4.36Å; I391-F396 HydrophobicContact CG2-CE2 4.04Å
392E94Very high91.4Very high39 Ų3944.1 Ų44.118%0.18224%0.237CC..Iπ-helixtrans-60.5-52.3174.6-70.8179-16800112W284 S388 A389 L390 L394 F396 K397 M405W284-E392 HydrophobicContact CH2-CG 4.14Å; W284-E392 HydrophobicContact CZ2-CG 3.94Å; S388-E392 WeakPolarHBondContact O-CG 3.21Å; S388-E392 PolarHBondContact O-N 3.47Å; A389-E392 PolarHBondContact O-N 3.4Å; L390-E392 VanDerWaalsContact C-N 3.27Å; L390-E392 PolarHBondContact O-N 3.28Å; E392-L394 VanDerWaalsContact C-N 3.28Å; E392-L394 PolarHBondContact O-N 3.02Å; E392-F396 CarbonylContact O-C 3.44Å; E392-F396 PolarHBondContact O-N 2.85Å; E392-K397 WeakPolarHBondContact O-CB 3.24Å; E392-K397 PolarHBondContact O-N 3.37Å; E392-M405 HydrophobicContact CG-CB 4.17Å; E392-M405 HydrophobicContact CG-CG 3.53Å; E392-M405 WeakPolarHBondContact OE1-CB 3.4Å; E392-M405 PolarHBondContact OE1-N 2.84Å
393Q92.1Very high91.1Very high54 Ų5447.1 Ų47.125%0.25226%0.256SS..Iπ-helixtrans-58.2-42.1178.1-67.3-45.4-57.700111.8L307 A389 L390 K397L307-Q393 HydrophobicContact CD2-CB 4.08Å; A389-Q393 WeakPolarHBondContact O-CG 3.31Å; A389-Q393 PolarHBondContact O-N 3.24Å; L390-Q393 PolarHBondContact O-N 2.91Å; Q393-K397 VanDerWaalsContact CD-CD 3.5Å; Q393-K397 VanDerWaalsContact OE1-NZ 3.1Å
394L92Very high90.9Very high9 Ų950 Ų505%0.04727%0.274CS..Iπ-helixtrans-73.7-37.4-171.3-163.766.6000113.3F298 P302 I304 L307 W315 L390 I391 E392F298-L394 HydrophobicContact CD1-CD2 4.42Å; F298-L394 HydrophobicContact CE1-CD2 3.81Å; P302-L394 HydrophobicContact CB-CD1 3.88Å; P302-L394 HydrophobicContact CB-CD2 4.46Å; P302-L394 HydrophobicContact CB-CG 3.89Å; P302-L394 HydrophobicContact CG-CD1 3.55Å; P302-L394 HydrophobicContact CG-CD2 3.66Å; P302-L394 HydrophobicContact CG-CG 3.58Å; I304-L394 HydrophobicContact CG2-CD1 4.3Å; L307-L394 HydrophobicContact CD1-CD1 4.1Å; L307-L394 HydrophobicContact CD2-CD1 4.42Å; W315-L394 HydrophobicContact CE3-CD2 3.56Å; W315-L394 HydrophobicContact CH2-CD2 4.37Å; W315-L394 HydrophobicContact CZ3-CD2 3.5Å; W315-L394 VanDerWaalsContact CZ3-CD2 3.5Å; L390-L394 VanDerWaalsContact O-CB 3.24Å; L390-L394 WeakPolarHBondContact O-CB 3.4Å; L390-L394 PolarHBondContact O-N 3.31Å; I391-L394 PolarHBondContact O-N 3.12Å; E392-L394 VanDerWaalsContact C-N 3.28Å; E392-L394 PolarHBondContact O-N 3.02Å
395L92.1Very high90.8Very high2 Ų243.9 Ų43.91%0.0125%0.251CS..Iπ-helixtrans-121.1-34.6-166.7-61.6176.9000114.1I247 A251 F288 L297 F298 I391I247-L395 HydrophobicContact CD1-CD2 4.32Å; I247-L395 HydrophobicContact CG1-CD2 4.08Å; A251-L395 HydrophobicContact CB-CB 4.22Å; A251-L395 HydrophobicContact CB-CD1 3.89Å; A251-L395 HydrophobicContact CB-CD2 4.28Å; A251-L395 HydrophobicContact CB-CG 4.36Å; F288-L395 HydrophobicContact CE1-CD1 3.53Å; F288-L395 HydrophobicContact CZ-CD1 3.64Å; L297-L395 HydrophobicContact CD2-CD1 3.93Å; F298-L395 HydrophobicContact CE1-CD1 3.93Å; F298-L395 HydrophobicContact CE1-CD2 4.33Å; F298-L395 HydrophobicContact CE1-CG 4.43Å; F298-L395 HydrophobicContact CZ-CD1 3.95Å; I391-L395 HydrophobicContact CG2-CD1 4.21Å; I391-L395 PolarHBondContact O-N 3.01Å; I391-L395 VanDerWaalsContact O-N 3.08Å
396F91.9Very high90.8Very high7 Ų743 Ų433%0.03125%0.25CC..Iπ-helixtrans-118.9-27.4-161.6-62.4-62.1000114.7A251 L255 W284 F288 I391 E392 D398 V399 I400 M405A251-F396 HydrophobicContact CB-CE1 4.01Å; A251-F396 HydrophobicContact CB-CZ 3.88Å; L255-F396 HydrophobicContact CB-CE1 4.36Å; L255-F396 HydrophobicContact CB-CZ 4.04Å; L255-F396 HydrophobicContact CD2-CD1 4.41Å; L255-F396 HydrophobicContact CD2-CE1 3.94Å; L255-F396 HydrophobicContact CD2-CZ 4.04Å; L255-F396 HydrophobicContact CG-CZ 4.45Å; W284-F396 HydrophobicContact CZ3-CE2 4.43Å; F288-F396 HydrophobicContact CE1-CE2 4.34Å; F288-F396 HydrophobicContact CE2-CE2 4.16Å; F288-F396 AromaticContact CE2-CZ 3.79Å; F288-F396 HydrophobicContact CE2-CZ 3.79Å; F288-F396 AromaticContact CZ-CE2 3.93Å; F288-F396 HydrophobicContact CZ-CE2 3.93Å; F288-F396 AromaticContact CZ-CZ 3.77Å; F288-F396 HydrophobicContact CZ-CZ 3.77Å; I391-F396 HydrophobicContact CG2-CD2 4.36Å; I391-F396 HydrophobicContact CG2-CE2 4.04Å; E392-F396 CarbonylContact O-C 3.44Å; E392-F396 PolarHBondContact O-N 2.85Å; F396-D398 VanDerWaalsContact C-N 3.33Å; F396-D398 PolarHBondContact O-N 3.16Å; F396-V399 PolarHBondContact O-N 3.46Å; F396-I400 HydrophobicContact CB-CD1 4.22Å; F396-I400 HydrophobicContact CD1-CD1 4.1Å; F396-I400 HydrophobicContact CG-CD1 4.48Å; F396-I400 PolarHBondContact O-N 3.37Å; F396-M405 HydrophobicContact CB-CE 3.93Å; F396-M405 HydrophobicContact CB-SD 4.04Å; F396-M405 HydrophobicContact CD2-CG 4.38Å; F396-M405 HydrophobicContact CD2-SD 4.23Å; F396-M405 HydrophobicContact CG-SD 4.03Å
397K89.9Confident90.7Very high64 Ų6450.6 Ų50.628%0.27828%0.278SS..Hα-helixtrans-60.2-41.5-173.6-171.7175.5-168.3-175.30113.1E392 Q393 V399 G401 E402E392-K397 WeakPolarHBondContact O-CB 3.24Å; E392-K397 PolarHBondContact O-N 3.37Å; Q393-K397 VanDerWaalsContact CD-CD 3.5Å; Q393-K397 VanDerWaalsContact OE1-NZ 3.1Å; K397-V399 PolarHBondContact O-N 3.37Å; K397-G401 WeakPolarHBondContact O-CA 3.4Å; K397-G401 PolarHBondContact O-N 3.2Å; K397-E402 WeakPolarHBondContact CE-OE1 3.49Å; K397-E402 IonicContact NZ-OE1 2.63Å
398D86.6Confident90.6Very high82 Ų8251.1 Ų51.144%0.43928%0.278SS..Hα-helixtrans-66.5-21.8176.9-72.1-19.4000113.4K248 K306 F396K248-D398 IonicContact NZ-OD2 2.72Å; K248-D398 PolarHBondContact NZ-OD2 2.73Å; K306-D398 IonicContact NZ-OD1 2.7Å; K306-D398 PolarHBondContact NZ-OD1 3.13Å; K306-D398 IonicContact NZ-OD2 3.51Å; K306-D398 PolarHBondContact NZ-OD2 2.94Å; F396-D398 VanDerWaalsContact C-N 3.33Å; F396-D398 PolarHBondContact O-N 3.16Å
399V85.8Confident90.5Very high99 Ų9949.3 Ų49.360%0.627%0.265SS*.Hα-helixtrans-99.7-42.5-173.4-177.30000111.2K248 F396 K397K248-V399 HydrophobicContact CD-CG2 3.97Å; F396-V399 PolarHBondContact O-N 3.46Å; K397-V399 PolarHBondContact O-N 3.37Å
400I84.8Confident90.5Very high57 Ų5748.3 Ų48.329%0.29226%0.255SS..Hα-helixtrans-106.8-15.8-171-58.7171.7000111.5F396 V403 M405 L408F396-I400 HydrophobicContact CB-CD1 4.22Å; F396-I400 HydrophobicContact CD1-CD1 4.1Å; F396-I400 HydrophobicContact CG-CD1 4.48Å; F396-I400 PolarHBondContact O-N 3.37Å; I400-V403 HydrophobicContact CG2-CB 3.98Å; I400-V403 HydrophobicContact CG2-CG2 4.45Å; I400-M405 HydrophobicContact CB-CE 3.78Å; I400-M405 HydrophobicContact CD1-CE 3.46Å; I400-M405 VanDerWaalsContact CD1-CE 3.46Å; I400-M405 HydrophobicContact CD1-SD 3.86Å; I400-M405 HydrophobicContact CG1-CE 4.18Å; I400-M405 HydrophobicContact CG2-CE 3.65Å; I400-L408 HydrophobicContact CD1-CD2 3.86Å
401G87.1Confident90.4Very high33 Ų3352.2 Ų52.234%0.3428%0.276SS..THydrogen-bonded Turntrans78.8-142.7-178.300000112.8K397 V403K397-G401 WeakPolarHBondContact O-CA 3.4Å; K397-G401 PolarHBondContact O-N 3.2Å; G401-V403 VanDerWaalsContact C-N 3.29Å; G401-V403 PolarHBondContact O-N 3.14Å
402E85.3Confident90.2Very high157 Ų15754.8 Ų54.873%0.73429%0.292SS*.THydrogen-bonded Turntrans-87.412.4-174.7-62.3-65.3155.100113.6K397K397-E402 WeakPolarHBondContact CE-OE1 3.49Å; K397-E402 IonicContact NZ-OE1 2.63Å
403V87.7Confident90.1Very high71 Ų7153.6 Ų53.643%0.4329%0.286SS..  trans-75.7123.7177-176.90000109.3I400 G401 M405I400-V403 HydrophobicContact CG2-CB 3.98Å; I400-V403 HydrophobicContact CG2-CG2 4.45Å; G401-V403 VanDerWaalsContact C-N 3.29Å; G401-V403 PolarHBondContact O-N 3.14Å; V403-M405 WeakPolarHBondContact O-CE 3.28Å; V403-M405 PolarHBondContact O-N 3.44Å
404P90.3Very high90.1Very high61 Ų6154.6 Ų54.640%0.39629%0.289SS..  trans-67.7130.2-178.927.3-34.2000110.8S406 R407 L408P404-S406 PolarHBondContact O-N 2.69Å; P404-R407 HydrophobicContact CG-CB 4.15Å; P404-R407 PolarHBondContact O-N 3.49Å; P404-R407 VanDerWaalsContact O-N 3.12Å; P404-L408 PolarHBondContact O-N 3.26Å
405M91.5Very high89.9Confident2 Ų257.5 Ų57.51%0.0131%0.31CS..Hα-helixtrans-62.5-29.6-179.4-69.8-62.1116.300112.1L255 W284 E392 F396 I400 V403 R407 L408 V409L255-M405 HydrophobicContact CD2-SD 4.05Å; W284-M405 HydrophobicContact CD2-CB 4.22Å; W284-M405 HydrophobicContact CH2-CB 3.73Å; W284-M405 HydrophobicContact CH2-CG 3.82Å; W284-M405 HydrophobicContact CZ2-CB 3.3Å; W284-M405 HydrophobicContact CZ2-CG 3.82Å; W284-M405 HydrophobicContact CZ3-CB 4.33Å; E392-M405 HydrophobicContact CG-CB 4.17Å; E392-M405 HydrophobicContact CG-CG 3.53Å; E392-M405 WeakPolarHBondContact OE1-CB 3.4Å; E392-M405 PolarHBondContact OE1-N 2.84Å; F396-M405 HydrophobicContact CB-CE 3.93Å; F396-M405 HydrophobicContact CB-SD 4.04Å; F396-M405 HydrophobicContact CD2-CG 4.38Å; F396-M405 HydrophobicContact CD2-SD 4.23Å; F396-M405 HydrophobicContact CG-SD 4.03Å; I400-M405 HydrophobicContact CB-CE 3.78Å; I400-M405 HydrophobicContact CD1-CE 3.46Å; I400-M405 VanDerWaalsContact CD1-CE 3.46Å; I400-M405 HydrophobicContact CD1-SD 3.86Å; I400-M405 HydrophobicContact CG1-CE 4.18Å; I400-M405 HydrophobicContact CG2-CE 3.65Å; V403-M405 WeakPolarHBondContact O-CE 3.28Å; V403-M405 PolarHBondContact O-N 3.44Å; M405-R407 PolarHBondContact O-N 3.07Å; M405-L408 HydrophobicContact CE-CD2 4.24Å; M405-L408 PolarHBondContact O-N 3.48Å; M405-L408 HydrophobicContact SD-CD2 3.95Å; M405-V409 WeakPolarHBondContact O-CB 3.37Å; M405-V409 VanDerWaalsContact O-CG2 3.26Å; M405-V409 WeakPolarHBondContact O-CG2 3.47Å; M405-V409 PolarHBondContact O-N 3.06Å
406S92.7Very high89.1Confident44 Ų4468 Ų6831%0.30835%0.35SS..Hα-helixtrans-54.9-38.6176.255.30000112.7G281 P404 C410G281-S406 WeakPolarHBondContact O-CB 3.34Å; P404-S406 PolarHBondContact O-N 2.69Å; S406-C410 PolarHBondContact O-SG 2.93Å; S406-C410 VanDerWaalsContact O-SG 3.37Å
407R91.1Very high87.8Confident163 Ų16373.2 Ų73.262%0.61538%0.384SS*.Hα-helixtrans-74.7-48.2176-178.8177.1176.4170.12.1111P404 M405 V409 C410 D411P404-R407 HydrophobicContact CG-CB 4.15Å; P404-R407 PolarHBondContact O-N 3.49Å; P404-R407 VanDerWaalsContact O-N 3.12Å; M405-R407 PolarHBondContact O-N 3.07Å; R407-V409 VanDerWaalsContact C-N 3.3Å; R407-V409 PolarHBondContact O-N 2.87Å; R407-C410 PolarHBondContact O-N 2.89Å; R407-C410 VanDerWaalsContact O-N 3.14Å; R407-D411 WeakPolarHBondContact CG-OD2 3.37Å; R407-D411 IonicContact NE-OD2 3.3Å; R407-D411 PolarHBondContact O-N 2.77Å
408L90.7Very high86.2Confident51 Ų5175.8 Ų75.827%0.26741%0.405SS..Hα-helixtrans-57.7-43.1-178.4-177.166.4000112.1L255 I400 P404 M405 C410 D411 V412L255-L408 HydrophobicContact CD2-CD2 4.41Å; I400-L408 HydrophobicContact CD1-CD2 3.86Å; P404-L408 PolarHBondContact O-N 3.26Å; M405-L408 HydrophobicContact CE-CD2 4.24Å; M405-L408 PolarHBondContact O-N 3.48Å; M405-L408 HydrophobicContact SD-CD2 3.95Å; L408-C410 VanDerWaalsContact C-N 3.35Å; L408-C410 PolarHBondContact O-N 3.49Å; L408-D411 PolarHBondContact O-N 3.47Å; L408-V412 HydrophobicContact CD1-CG2 4.27Å; L408-V412 HydrophobicContact CG-CG2 4.44Å; L408-V412 WeakPolarHBondContact O-CB 3.41Å; L408-V412 VanDerWaalsContact O-CG2 3.27Å; L408-V412 WeakPolarHBondContact O-CG2 3.3Å; L408-V412 PolarHBondContact O-N 3.45Å
409V92.9Very high84.3Confident1 Ų177.5 Ų77.51%0.00641%0.414CS..Hα-helixtrans-60.6-45178167.90000111L255 T259 L280 W284 M405 R407 Y413L255-V409 HydrophobicContact CD1-CG2 3.81Å; T259-V409 HydrophobicContact CG2-CB 4.21Å; T259-V409 HydrophobicContact CG2-CG1 3.88Å; T259-V409 HydrophobicContact CG2-CG2 4.27Å; L280-V409 HydrophobicContact CB-CG1 4.13Å; W284-V409 HydrophobicContact CB-CB 4.29Å; W284-V409 HydrophobicContact CB-CG1 3.91Å; W284-V409 HydrophobicContact CB-CG2 3.93Å; W284-V409 HydrophobicContact CD2-CG2 4.26Å; W284-V409 HydrophobicContact CE3-CG2 4.45Å; W284-V409 HydrophobicContact CG-CG2 4.04Å; M405-V409 WeakPolarHBondContact O-CB 3.37Å; M405-V409 VanDerWaalsContact O-CG2 3.26Å; M405-V409 WeakPolarHBondContact O-CG2 3.47Å; M405-V409 PolarHBondContact O-N 3.06Å; R407-V409 VanDerWaalsContact C-N 3.3Å; R407-V409 PolarHBondContact O-N 2.87Å; V409-Y413 VanDerWaalsContact O-CB 3.28Å; V409-Y413 WeakPolarHBondContact O-CB 3.29Å; V409-Y413 PolarHBondContact O-N 2.91Å
410C93.4Very high82.5Confident18 Ų1880.6 Ų80.612%0.12242%0.422CS..Hα-helixtrans-64.7-47176.3-69.60000111.4A277 S406 R407 L408 V412 Y413 F414A277-C410 PolarHBondContact O-SG 3.03Å; A277-C410 VanDerWaalsContact O-SG 3.36Å; S406-C410 PolarHBondContact O-SG 2.93Å; S406-C410 VanDerWaalsContact O-SG 3.37Å; R407-C410 PolarHBondContact O-N 2.89Å; R407-C410 VanDerWaalsContact O-N 3.14Å; L408-C410 VanDerWaalsContact C-N 3.35Å; L408-C410 PolarHBondContact O-N 3.49Å; C410-V412 VanDerWaalsContact C-N 3.33Å; C410-V412 PolarHBondContact O-N 2.99Å; C410-Y413 PolarHBondContact O-N 3.06Å; C410-Y413 VanDerWaalsContact O-N 3.13Å; C410-F414 HydrophobicContact CB-CD2 4.4Å; C410-F414 HydrophobicContact CB-CE2 4.47Å; C410-F414 WeakPolarHBondContact O-CD2 3.47Å; C410-F414 PolarHBondContact O-N 3.43Å
411D92Very high80.6Confident83 Ų8386.5 Ų86.544%0.44445%0.446SS..Hα-helixtrans-58.7-45.7-179.5-69.4-12.2000110.7R407 L408 S415R407-D411 WeakPolarHBondContact CG-OD2 3.37Å; R407-D411 IonicContact NE-OD2 3.3Å; R407-D411 PolarHBondContact O-N 2.77Å; L408-D411 PolarHBondContact O-N 3.47Å; D411-S415 WeakPolarHBondContact O-CB 3.39Å; D411-S415 PolarHBondContact O-N 2.62Å; D411-S415 PolarHBondContact O-OG 2.97Å
412V90.1Very high78.9Confident54 Ų5488.8 Ų88.833%0.32745%0.453SS..Hα-helixtrans-66.2-39.1176.3175.40000111.8T259 L408 C410 S415T259-V412 HydrophobicContact CG2-CB 4.08Å; T259-V412 HydrophobicContact CG2-CG1 4Å; T259-V412 WeakPolarHBondContact OG1-CG1 3.44Å; L408-V412 HydrophobicContact CD1-CG2 4.27Å; L408-V412 HydrophobicContact CG-CG2 4.44Å; L408-V412 WeakPolarHBondContact O-CB 3.41Å; L408-V412 VanDerWaalsContact O-CG2 3.27Å; L408-V412 WeakPolarHBondContact O-CG2 3.3Å; L408-V412 PolarHBondContact O-N 3.45Å; C410-V412 VanDerWaalsContact C-N 3.33Å; C410-V412 PolarHBondContact O-N 2.99Å; V412-S415 WeakPolarHBondContact O-CB 3.49Å; V412-S415 PolarHBondContact O-N 3.3Å
413Y91.3Very high76.9Confident14 Ų1485.5 Ų85.56%0.05544%0.444CS..Hα-helixtrans-62.8-48.9177.9-179.2-91.1000112T259 P262 K263 F268 Q276 L280 V409 C410 S415T259-Y413 WeakPolarHBondContact O-CD2 3.35Å; P262-Y413 HydrophobicContact CB-CE2 4.01Å; K263-Y413 HydrophobicContact CD-CE2 4.27Å; K263-Y413 WeakPolarHBondContact CE-O 3.46Å; K263-Y413 HydrophobicContact CG-CD2 4.08Å; K263-Y413 HydrophobicContact CG-CE2 3.35Å; K263-Y413 PolarHBondContact NZ-O 3.12Å; F268-Y413 HydrophobicContact CE1-CE2 4.11Å; F268-Y413 AromaticContact CE1-CZ 3.84Å; F268-Y413 WeakPolarHBondContact CE1-OH 3.43Å; Q276-Y413 PolarHBondContact OE1-OH 2.73Å; L280-Y413 HydrophobicContact CD1-CD1 3.78Å; L280-Y413 HydrophobicContact CD1-CD2 3.45Å; L280-Y413 VanDerWaalsContact CD1-CD2 3.45Å; L280-Y413 HydrophobicContact CD1-CE1 4.15Å; L280-Y413 HydrophobicContact CD1-CE2 3.89Å; L280-Y413 HydrophobicContact CD1-CG 3.42Å; L280-Y413 VanDerWaalsContact CD1-CG 3.42Å; V409-Y413 VanDerWaalsContact O-CB 3.28Å; V409-Y413 WeakPolarHBondContact O-CB 3.29Å; V409-Y413 PolarHBondContact O-N 2.91Å; C410-Y413 PolarHBondContact O-N 3.06Å; C410-Y413 VanDerWaalsContact O-N 3.13Å; Y413-S415 VanDerWaalsContact C-N 3.32Å
414F92.1Very high74.8Confident74 Ų7487.3 Ų87.333%0.32545%0.45SS..Hα-helixtrans-84.7-4.8-178.7-65-69.9000113.7E273 Q276 A277 C410 R416E273-F414 HydrophobicContact CB-CE1 4.07Å; E273-F414 HydrophobicContact CB-CZ 4.44Å; E273-F414 HydrophobicContact CG-CE1 4.16Å; Q276-F414 HydrophobicContact CB-CZ 4.09Å; A277-F414 HydrophobicContact CB-CE2 3.66Å; A277-F414 HydrophobicContact CB-CZ 3.96Å; C410-F414 HydrophobicContact CB-CD2 4.4Å; C410-F414 HydrophobicContact CB-CE2 4.47Å; C410-F414 WeakPolarHBondContact O-CD2 3.47Å; C410-F414 PolarHBondContact O-N 3.43Å; F414-R416 PolarHBondContact O-N 3.41Å; F414-R416 VanDerWaalsContact O-N 3.13Å
415S88.1Confident72.7Confident70 Ų7087.3 Ų87.349%0.4946%0.455SS..PPolyproline II helixtrans-57.2120.6172.8-730000109.6D411 V412 Y413D411-S415 WeakPolarHBondContact O-CB 3.39Å; D411-S415 PolarHBondContact O-N 2.62Å; D411-S415 PolarHBondContact O-OG 2.97Å; V412-S415 WeakPolarHBondContact O-CB 3.49Å; V412-S415 PolarHBondContact O-N 3.3Å; Y413-S415 VanDerWaalsContact C-N 3.32Å
416R75.2Confident70.5Confident223 Ų22397 Ų9784%0.84249%0.492SS*.PPolyproline II helixtrans-69.8144.8168.1-64.7-177.3179.8179.1-0.3108F414 V418F414-R416 PolarHBondContact O-N 3.41Å; F414-R416 VanDerWaalsContact O-N 3.13Å; R416-V418 PolarHBondContact O-N 3.06Å
417P66.1Low68.3Low116 Ų11699.9 Ų99.975%0.75351%0.507SS*.PPolyproline II helixtrans-51128.6164-16.929000107.3D419P417-D419 PolarHBondContact O-N 2.85Å
418V55.1Low66.2Low118 Ų11899.3 Ų99.372%0.71551%0.512SS*.  trans-59.9115.8170.3178.50000105.6R416 E420R416-V418 PolarHBondContact O-N 3.06Å; V418-E420 VanDerWaalsContact C-N 3.34Å; V418-E420 PolarHBondContact O-N 3.18Å
419D47.8Very low64.1Low118 Ų118104.1 Ų104.163%0.63154%0.538SS*.  trans-58.6101.8170.2-76.9-48.4000107P417 K421 V422P417-D419 PolarHBondContact O-N 2.85Å; D419-K421 PolarHBondContact O-N 3.02Å; D419-V422 HydrophobicContact CB-CG2 4.17Å; D419-V422 PolarHBondContact O-N 2.84Å
420E48.1Very low61.7Low164 Ų164112.1 Ų112.177%0.76659%0.594SS**Hα-helixtrans-53.5-17.5174.6-83-180152.100111.9V418 V422V418-E420 VanDerWaalsContact C-N 3.34Å; V418-E420 PolarHBondContact O-N 3.18Å; E420-V422 VanDerWaalsContact C-N 3.34Å; E420-V422 PolarHBondContact O-N 3.48Å
421K44.9Very low60.1Low182 Ų182116.9 Ų116.979%0.79162%0.618SS**Hα-helixtrans-69.6-22174.5-64.9-171.9177.5-177.10114.6D419D419-K421 PolarHBondContact O-N 3.02Å
422V49.9Very low58.5Low81 Ų81118.6 Ų118.649%0.49163%0.627SS.*Hα-helixtrans-89.6-24.3179.9-178.40000112.1D419 E420D419-V422 HydrophobicContact CB-CG2 4.17Å; D419-V422 PolarHBondContact O-N 2.84Å; E420-V422 VanDerWaalsContact C-N 3.34Å; E420-V422 PolarHBondContact O-N 3.48Å
423T44Very low56.7Low88 Ų88122.2 Ų122.254%0.5464%0.644SS.*Hα-helixtrans-71.5-35.7175.9-46.50000111.7R426 T427T423-R426 PolarHBondContact O-N 3.28Å; T423-T427 PolarHBondContact O-OG1 2.91Å
424I44Very low54.7Low108 Ų108128.6 Ų128.655%0.55468%0.678SS**Hα-helixtrans-71.9-31.7179-58175.3000111.5R426 T427I424-R426 VanDerWaalsContact C-N 3.29Å; I424-R426 PolarHBondContact O-N 3.37Å; I424-T427 PolarHBondContact O-N 3.28Å; I424-T427 PolarHBondContact O-OG1 3.27Å
425A46.3Very low52.3Low62 Ų62132 Ų13251%0.51270%0.7SS.*Hα-helixtrans-71.7-19.4179.100000113.9
426R44.8Very low49.9Very low205 Ų205136.1 Ų136.177%0.77471%0.714SS**Hα-helixtrans-94.6-9.7178.5-75.2-172.7175.6174.8-0.4114.6T423 I424T423-R426 PolarHBondContact O-N 3.28Å; I424-R426 VanDerWaalsContact C-N 3.29Å; I424-R426 PolarHBondContact O-N 3.37Å
427T47.1Very low48.1Very low104 Ų104129.9 Ų129.964%0.63871%0.705SS**SBendtrans-97.75.2174.1470000113.4T423 I424T423-T427 PolarHBondContact O-OG1 2.91Å; I424-T427 PolarHBondContact O-N 3.28Å; I424-T427 PolarHBondContact O-OG1 3.27Å
428Q47.3Very low46.8Very low151 Ų151131 Ų13171%0.70670%0.702SS**SBendtrans-110.4-3.3177.6-71.7-170.8-23.500114.8
429D46.2Very low46.1Very low152 Ų152132.1 Ų132.181%0.81370%0.7SS**  trans-11437.2175-76.2-21.6000112.5
430S42.3Very low45.9Very low170 Ų170133.4 Ų133.4100%1.18971%0.707SS**  trans-141.90167.8-56.80000108.9

Retrieved 430 of 430 residues in 491.2 ms (Link to these results)