A0A077Z7U1_TRITR Loading...

7TM GPCR Srw domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z7U1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 336 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M51.7Low79.8Confident208 Ų20897.6 Ų97.6100%1.02551%0.51SS*.  0-53.70-81.6175.2142.700112.5N3 N4 T5M1-N3 PolarHBondContact O-N 3.19Å; M1-N4 PolarHBondContact O-N 3.49Å; M1-T5 PolarHBondContact O-N 3.13Å; M1-T5 PolarHBondContact O-OG1 2.93Å
2S67.5Low80.7Confident99 Ų99101.6 Ų101.669%0.69252%0.523SS*.Hα-helixtrans-56.4-39.9-177.7-167.20000115.5N4 T5 F6S2-N4 PolarHBondContact O-N 3.43Å; S2-T5 PolarHBondContact O-N 3.25Å; S2-F6 PolarHBondContact O-N 3.31Å
3N70.4Confident81.5Confident106 Ų10699.9 Ų99.957%0.56751%0.51SS*.Hα-helixtrans-66.7-36.5-179.9-74.88.1000112.6M1 F6 Y7M1-N3 PolarHBondContact O-N 3.19Å; N3-F6 PolarHBondContact O-N 3.39Å; N3-Y7 HydrophobicContact CB-CE2 4.05Å; N3-Y7 WeakPolarHBondContact O-CD2 3.2Å; N3-Y7 PolarHBondContact O-N 3.44Å
4N77.2Confident82.2Confident104 Ų10495.7 Ų95.756%0.55649%0.487SS*.Hα-helixtrans-64.8-46178.4-68.44000109.7M1 S2 F6 Y7 D8M1-N4 PolarHBondContact O-N 3.49Å; S2-N4 PolarHBondContact O-N 3.43Å; N4-F6 VanDerWaalsContact C-N 3.27Å; N4-F6 PolarHBondContact O-N 3.3Å; N4-Y7 PolarHBondContact O-N 2.91Å; N4-Y7 VanDerWaalsContact O-N 3.12Å; N4-D8 WeakPolarHBondContact O-CB 3.14Å; N4-D8 PolarHBondContact O-N 3.37Å
5T85.2Confident82.8Confident96 Ų9694.1 Ų94.159%0.58949%0.488SS*.Hα-helixtrans-58.7-37.5177.1-45.30000112.8M1 S2 F9M1-T5 PolarHBondContact O-N 3.13Å; M1-T5 PolarHBondContact O-OG1 2.93Å; S2-T5 PolarHBondContact O-N 3.25Å; T5-F9 WeakPolarHBondContact O-CB 3.48Å; T5-F9 PolarHBondContact O-N 2.92Å; T5-F9 VanDerWaalsContact O-N 3.07Å
6F86Confident83.3Confident105 Ų10591.3 Ų91.346%0.46148%0.483SS..Hα-helixtrans-67.9-45.8175.2176.7-102.3000112.2S2 N3 N4 F9 V10 V292S2-F6 PolarHBondContact O-N 3.31Å; N3-F6 PolarHBondContact O-N 3.39Å; N4-F6 VanDerWaalsContact C-N 3.27Å; N4-F6 PolarHBondContact O-N 3.3Å; F6-F9 WeakPolarHBondContact O-CB 3.23Å; F6-F9 PolarHBondContact O-N 2.87Å; F6-V10 HydrophobicContact CD1-CG2 4.37Å; F6-V10 HydrophobicContact CE1-CG2 3.91Å; F6-V10 HydrophobicContact CE2-CG2 4.13Å; F6-V10 HydrophobicContact CZ-CG2 3.78Å; F6-V10 WeakPolarHBondContact O-CG2 3.18Å; F6-V10 PolarHBondContact O-N 3.45Å; F6-V292 HydrophobicContact CE1-CG2 3.92Å
7Y85.8Confident83.8Confident48 Ų4887.5 Ų87.519%0.18846%0.461CS..Hα-helixtrans-64.1-41.7177.2-62.1-42.3000111.6N3 N4 F9 V10 D11 K291 V292N3-Y7 HydrophobicContact CB-CE2 4.05Å; N3-Y7 WeakPolarHBondContact O-CD2 3.2Å; N3-Y7 PolarHBondContact O-N 3.44Å; N4-Y7 PolarHBondContact O-N 2.91Å; N4-Y7 VanDerWaalsContact O-N 3.12Å; Y7-F9 VanDerWaalsContact C-N 3.28Å; Y7-F9 PolarHBondContact O-N 2.84Å; Y7-V10 PolarHBondContact O-N 3.44Å; Y7-V10 VanDerWaalsContact O-N 3.15Å; Y7-D11 WeakPolarHBondContact O-CB 3.42Å; Y7-D11 PolarHBondContact O-N 3.17Å; Y7-K291 HydrophobicContact CD1-CB 3.8Å; Y7-K291 HydrophobicContact CD1-CD 4.22Å; Y7-K291 HydrophobicContact CD2-CD 3.97Å; Y7-K291 HydrophobicContact CE1-CB 3.83Å; Y7-K291 HydrophobicContact CE1-CD 4.13Å; Y7-K291 HydrophobicContact CE2-CD 3.86Å; Y7-K291 HydrophobicContact CG-CB 4.41Å; Y7-K291 HydrophobicContact CG-CD 4.16Å; Y7-V292 HydrophobicContact CD1-CG2 4.24Å; Y7-V292 HydrophobicContact CE1-CG2 3.84Å
8D87.7Confident84.1Confident102 Ų10287.9 Ų87.955%0.54546%0.46SS..Hα-helixtrans-60.4-39.6176.4-62-22.5000111.4N4 D11 H12N4-D8 WeakPolarHBondContact O-CB 3.14Å; N4-D8 PolarHBondContact O-N 3.37Å; D8-D11 PolarHBondContact O-N 3.1Å; D8-H12 WeakPolarHBondContact O-CB 3.37Å; D8-H12 PolarHBondContact O-N 3.18Å
9F89.2Confident84.5Confident136 Ų13691.9 Ų91.960%0.59647%0.473SS*.Hα-helixtrans-63.8-46.3174.2173.4-95000112.3T5 F6 Y7 D11 H12 F13T5-F9 WeakPolarHBondContact O-CB 3.48Å; T5-F9 PolarHBondContact O-N 2.92Å; T5-F9 VanDerWaalsContact O-N 3.07Å; F6-F9 WeakPolarHBondContact O-CB 3.23Å; F6-F9 PolarHBondContact O-N 2.87Å; Y7-F9 VanDerWaalsContact C-N 3.28Å; Y7-F9 PolarHBondContact O-N 2.84Å; F9-D11 VanDerWaalsContact C-N 3.26Å; F9-D11 PolarHBondContact O-N 2.8Å; F9-H12 PolarHBondContact O-N 3.2Å; F9-F13 WeakPolarHBondContact O-CB 3.37Å; F9-F13 PolarHBondContact O-N 3.43Å
10V88.3Confident84.9Confident17 Ų1792.5 Ų92.510%0.10348%0.476CS..Hα-helixtrans-60.9-39.4177.8172.40000110.6F6 Y7 F13 Q14 K295F6-V10 HydrophobicContact CD1-CG2 4.37Å; F6-V10 HydrophobicContact CE1-CG2 3.91Å; F6-V10 HydrophobicContact CE2-CG2 4.13Å; F6-V10 HydrophobicContact CZ-CG2 3.78Å; F6-V10 WeakPolarHBondContact O-CG2 3.18Å; F6-V10 PolarHBondContact O-N 3.45Å; Y7-V10 PolarHBondContact O-N 3.44Å; Y7-V10 VanDerWaalsContact O-N 3.15Å; V10-F13 PolarHBondContact O-N 2.9Å; V10-Q14 WeakPolarHBondContact O-CB 3.18Å; V10-Q14 PolarHBondContact O-N 3.34Å; V10-K295 HydrophobicContact CG1-CB 3.56Å; V10-K295 HydrophobicContact CG1-CD 4.04Å; V10-K295 HydrophobicContact CG1-CG 4.31Å
11D88.8Confident85.3Confident53 Ų5388.6 Ų88.628%0.28346%0.455SS..Hα-helixtrans-67-45.1179.7-71.516000111.7Y7 D8 F9 Q14 S15 K295Y7-D11 WeakPolarHBondContact O-CB 3.42Å; Y7-D11 PolarHBondContact O-N 3.17Å; D8-D11 PolarHBondContact O-N 3.1Å; F9-D11 VanDerWaalsContact C-N 3.26Å; F9-D11 PolarHBondContact O-N 2.8Å; D11-Q14 PolarHBondContact O-N 2.98Å; D11-S15 WeakPolarHBondContact O-CB 3.41Å; D11-S15 PolarHBondContact O-N 3.37Å; D11-S15 PolarHBondContact O-OG 3.34Å; D11-K295 WeakPolarHBondContact OD1-CD 3.45Å; D11-K295 VanDerWaalsContact OD1-CE 3.32Å; D11-K295 WeakPolarHBondContact OD1-CE 3.48Å; D11-K295 IonicContact OD1-NZ 3.45Å; D11-K295 PolarHBondContact OD1-NZ 3.33Å; D11-K295 IonicContact OD2-NZ 2.86Å; D11-K295 PolarHBondContact OD2-NZ 2.94Å
12H90.5Very high87.4Confident145 Ų14579.1 Ų79.167%0.67141%0.409SS*.Hα-helixtrans-63.5-42.8175.6-172.4-79.9000111.4D8 F9 S15 A16D8-H12 WeakPolarHBondContact O-CB 3.37Å; D8-H12 PolarHBondContact O-N 3.18Å; F9-H12 PolarHBondContact O-N 3.2Å; H12-S15 PolarHBondContact O-N 3.25Å; H12-A16 WeakPolarHBondContact O-CB 3.49Å; H12-A16 PolarHBondContact O-N 3Å; H12-A16 VanDerWaalsContact O-N 3.13Å
13F91.4Very high88.7Confident80 Ų8081.3 Ų81.335%0.35140%0.404SS..Hα-helixtrans-61.7-49.6175.8175.5-97.2000111.6F9 V10 S15 A16 Y17 F299F9-F13 WeakPolarHBondContact O-CB 3.37Å; F9-F13 PolarHBondContact O-N 3.43Å; V10-F13 PolarHBondContact O-N 2.9Å; F13-S15 PolarHBondContact O-N 3.32Å; F13-A16 PolarHBondContact O-N 3.45Å; F13-Y17 HydrophobicContact CE1-CG 4.44Å; F13-Y17 HydrophobicContact CZ-CD2 4.44Å; F13-Y17 HydrophobicContact CZ-CG 4.31Å; F13-Y17 WeakPolarHBondContact O-CB 3.43Å; F13-Y17 PolarHBondContact O-N 3.18Å; F13-F299 HydrophobicContact CE1-CB 3.97Å; F13-F299 HydrophobicContact CE1-CD2 4.44Å; F13-F299 HydrophobicContact CE1-CG 4.1Å; F13-F299 HydrophobicContact CZ-CB 4.26Å; F13-F299 AromaticContact CZ-CD2 3.88Å; F13-F299 HydrophobicContact CZ-CD2 3.88Å; F13-F299 HydrophobicContact CZ-CE2 4.39Å; F13-F299 AromaticContact CZ-CG 3.97Å; F13-F299 HydrophobicContact CZ-CG 3.97Å
14Q91.3Very high89.9Confident41 Ų4179.5 Ų79.519%0.19239%0.393CS..Hα-helixtrans-58.1-48.4178.1-178.2-164.8-9.200110.9V10 D11 A16 Y17 Q18 K295V10-Q14 WeakPolarHBondContact O-CB 3.18Å; V10-Q14 PolarHBondContact O-N 3.34Å; D11-Q14 PolarHBondContact O-N 2.98Å; Q14-A16 VanDerWaalsContact C-N 3.27Å; Q14-A16 PolarHBondContact O-N 3.49Å; Q14-Y17 PolarHBondContact O-N 2.84Å; Q14-Q18 VanDerWaalsContact O-CB 3.22Å; Q14-Q18 WeakPolarHBondContact O-CB 3.4Å; Q14-Q18 PolarHBondContact O-N 2.91Å; Q14-K295 HydrophobicContact CB-CB 4.24Å; Q14-K295 HydrophobicContact CG-CB 4.31Å
15S90.6Very high90.9Very high72 Ų7274.5 Ų74.550%0.50337%0.367SS..Hα-helixtrans-61.9-35.9-176.8-58.80000112.6D11 H12 F13D11-S15 WeakPolarHBondContact O-CB 3.41Å; D11-S15 PolarHBondContact O-N 3.37Å; D11-S15 PolarHBondContact O-OG 3.34Å; H12-S15 PolarHBondContact O-N 3.25Å; F13-S15 PolarHBondContact O-N 3.32Å
16A91.5Very high91.4Very high49 Ų4970.5 Ų70.541%0.40534%0.343SS..Hα-helixtrans-74.1-45.8174.900000111.7H12 F13 Q14H12-A16 WeakPolarHBondContact O-CB 3.49Å; H12-A16 PolarHBondContact O-N 3Å; H12-A16 VanDerWaalsContact O-N 3.13Å; F13-A16 PolarHBondContact O-N 3.45Å; Q14-A16 VanDerWaalsContact C-N 3.27Å; Q14-A16 PolarHBondContact O-N 3.49Å
17Y92.5Very high91.9Very high27 Ų2772 Ų7211%0.10635%0.349CS..Hα-helixtrans-71.2-38.1-174.2-179.4-102000112.9F13 Q14 K19 I20 H21 P298 F299 L302F13-Y17 HydrophobicContact CE1-CG 4.44Å; F13-Y17 HydrophobicContact CZ-CD2 4.44Å; F13-Y17 HydrophobicContact CZ-CG 4.31Å; F13-Y17 WeakPolarHBondContact O-CB 3.43Å; F13-Y17 PolarHBondContact O-N 3.18Å; Q14-Y17 PolarHBondContact O-N 2.84Å; Y17-K19 PolarHBondContact O-N 3.48Å; Y17-K19 VanDerWaalsContact O-N 3.15Å; Y17-I20 PolarHBondContact O-N 3.35Å; Y17-H21 HydrophobicContact CD1-CB 4.03Å; Y17-H21 HydrophobicContact CE1-CB 3.62Å; Y17-H21 AromaticContact CE1-CG 3.72Å; Y17-H21 AromaticContact CE1-ND1 3.31Å; Y17-H21 VanDerWaalsContact CE1-ND1 3.31Å; Y17-H21 WeakPolarHBondContact CE1-ND1 3.48Å; Y17-H21 AromaticContact CZ-ND1 3.52Å; Y17-H21 WeakPolarHBondContact O-CB 3.38Å; Y17-H21 PolarHBondContact O-N 2.9Å; Y17-H21 PolarHBondContact OH-ND1 3.24Å; Y17-P298 HydrophobicContact CD1-CB 4.2Å; Y17-P298 HydrophobicContact CE1-CB 3.84Å; Y17-F299 HydrophobicContact CD1-CB 4.21Å; Y17-F299 HydrophobicContact CE1-CB 3.88Å; Y17-F299 HydrophobicContact CE2-CD2 4.07Å; Y17-L302 HydrophobicContact CE2-CD2 4.14Å; Y17-L302 WeakPolarHBondContact OH-CB 3.49Å; Y17-L302 WeakPolarHBondContact OH-CD2 3.32Å
18Q88.8Confident92.5Very high94 Ų9470.2 Ų70.244%0.43934%0.343SS..Hα-helixtrans-58.8-29.4-179.2-172.7169.8-4.700112.6Q14 I20 P22Q14-Q18 VanDerWaalsContact O-CB 3.22Å; Q14-Q18 WeakPolarHBondContact O-CB 3.4Å; Q14-Q18 PolarHBondContact O-N 2.91Å; Q18-I20 VanDerWaalsContact C-N 3.32Å; Q18-I20 PolarHBondContact O-N 2.99Å; Q18-P22 VanDerWaalsContact O-CD 3.25Å; Q18-P22 WeakPolarHBondContact O-CD 3.43Å
19K90.6Very high92.9Very high165 Ų16565.3 Ų65.372%0.71732%0.317SS*.THydrogen-bonded Turntrans-68.6-29.6175.3-63.4178.2-177.8-179.40113.5Y17Y17-K19 PolarHBondContact O-N 3.48Å; Y17-K19 VanDerWaalsContact O-N 3.15Å
20I93.2Very high93.3Very high103 Ų10361.2 Ų61.253%0.52831%0.305SS..THydrogen-bonded Turntrans-99.5-27.8-174.5-57.6169.5000110.6Y17 Q18 Y23 L24Y17-I20 PolarHBondContact O-N 3.35Å; Q18-I20 VanDerWaalsContact C-N 3.32Å; Q18-I20 PolarHBondContact O-N 2.99Å; I20-Y23 PolarHBondContact O-N 3.46Å; I20-L24 HydrophobicContact CG2-CB 4.3Å; I20-L24 WeakPolarHBondContact O-CB 3.38Å; I20-L24 PolarHBondContact O-N 3.28Å
21H94.1Very high93.7Very high10 Ų1064.3 Ų64.35%0.04632%0.321CS..Hα-helixtrans-51.5-49.3-172.8175.377.3000113.9Y17 Y23 L24 S25 Y71 P298Y17-H21 HydrophobicContact CD1-CB 4.03Å; Y17-H21 HydrophobicContact CE1-CB 3.62Å; Y17-H21 AromaticContact CE1-CG 3.72Å; Y17-H21 AromaticContact CE1-ND1 3.31Å; Y17-H21 VanDerWaalsContact CE1-ND1 3.31Å; Y17-H21 WeakPolarHBondContact CE1-ND1 3.48Å; Y17-H21 AromaticContact CZ-ND1 3.52Å; Y17-H21 WeakPolarHBondContact O-CB 3.38Å; Y17-H21 PolarHBondContact O-N 2.9Å; Y17-H21 PolarHBondContact OH-ND1 3.24Å; H21-Y23 PolarHBondContact O-N 3.09Å; H21-L24 PolarHBondContact O-N 2.95Å; H21-S25 PolarHBondContact CE1-OG 3.32Å; H21-S25 PolarHBondContact ND1-OG 2.98Å; H21-S25 WeakPolarHBondContact O-CB 3.45Å; H21-S25 PolarHBondContact O-N 2.99Å; H21-S25 PolarHBondContact O-OG 3.05Å; H21-S25 VanDerWaalsContact O-OG 3.06Å; H21-Y71 PolarHBondContact CE1-OH 3.42Å; H21-Y71 VanDerWaalsContact CE1-OH 3.26Å; H21-Y71 PolarHBondContact NE2-OH 2.81Å; H21-P298 PolarHBondContact CE1-O 2.86Å; H21-P298 PolarHBondContact ND1-O 3.39Å
22P94.5Very high94.1Very high9 Ų961.8 Ų61.86%0.05831%0.308CS..Hα-helixtrans-62.4-42.8-176.3-23.635.5000112.3Q18 S26 E78 I79Q18-P22 VanDerWaalsContact O-CD 3.25Å; Q18-P22 WeakPolarHBondContact O-CD 3.43Å; P22-S26 WeakPolarHBondContact O-CB 3.38Å; P22-S26 PolarHBondContact O-N 3.11Å; P22-E78 HydrophobicContact CB-CG 4.42Å; P22-E78 HydrophobicContact CG-CG 4.02Å; P22-E78 WeakPolarHBondContact CG-OE1 3.47Å; P22-I79 HydrophobicContact CB-CD1 4.11Å; P22-I79 HydrophobicContact CB-CG1 3.69Å
23Y95.8Very high94.5Very high146 Ų14656.2 Ų56.257%0.57328%0.283SS*.Hα-helixtrans-67.7-44.9179.1-58.7-73.8000112.1I20 H21 S26 F27 I79I20-Y23 PolarHBondContact O-N 3.46Å; H21-Y23 PolarHBondContact O-N 3.09Å; Y23-S26 PolarHBondContact O-N 3.14Å; Y23-F27 PolarHBondContact O-N 3.36Å; Y23-I79 HydrophobicContact CD1-CD1 3.83Å; Y23-I79 HydrophobicContact CD1-CG1 4.16Å; Y23-I79 HydrophobicContact CE1-CD1 4.06Å; Y23-I79 HydrophobicContact CE1-CG1 3.94Å; Y23-I79 HydrophobicContact CE1-CG2 3.86Å; Y23-I79 HydrophobicContact CG-CD1 4.46Å
24L95.8Very high94.7Very high67 Ų6756.5 Ų56.535%0.35129%0.29SS..Hα-helixtrans-66.6-47.2-179.7-178.456.8000111.2I20 H21 F27 V28 L302I20-L24 HydrophobicContact CG2-CB 4.3Å; I20-L24 WeakPolarHBondContact O-CB 3.38Å; I20-L24 PolarHBondContact O-N 3.28Å; H21-L24 PolarHBondContact O-N 2.95Å; L24-F27 PolarHBondContact O-N 3.33Å; L24-V28 HydrophobicContact CD1-CG2 4.48Å; L24-V28 WeakPolarHBondContact O-CG2 3.3Å; L24-V28 PolarHBondContact O-N 3.44Å; L24-L302 HydrophobicContact CD2-CD1 4.44Å; L24-L302 HydrophobicContact CD2-CD2 3.51Å; L24-L302 HydrophobicContact CG-CD1 4.11Å; L24-L302 HydrophobicContact CG-CD2 4.1Å
25S96.9Very high95Very high0 Ų055.9 Ų55.90%029%0.288CS..Hα-helixtrans-62.8-41.7176.2-650000111.3H21 F27 V28 C29H21-S25 PolarHBondContact CE1-OG 3.32Å; H21-S25 PolarHBondContact ND1-OG 2.98Å; H21-S25 WeakPolarHBondContact O-CB 3.45Å; H21-S25 PolarHBondContact O-N 2.99Å; H21-S25 PolarHBondContact O-OG 3.05Å; H21-S25 VanDerWaalsContact O-OG 3.06Å; S25-F27 VanDerWaalsContact C-N 3.35Å; S25-F27 PolarHBondContact O-N 3.09Å; S25-V28 PolarHBondContact O-N 3.04Å; S25-C29 WeakPolarHBondContact O-CB 3.46Å; S25-C29 PolarHBondContact O-N 3.43Å; S25-C29 PolarHBondContact O-SG 2.7Å
26S96.6Very high95.3Very high12 Ų1252.5 Ų52.58%0.08426%0.264CS..Hα-helixtrans-60.8-42.7176.1178.90000112.4P22 Y23 C29 S30 L72 T75 Q76P22-S26 WeakPolarHBondContact O-CB 3.38Å; P22-S26 PolarHBondContact O-N 3.11Å; Y23-S26 PolarHBondContact O-N 3.14Å; S26-C29 PolarHBondContact O-N 2.92Å; S26-S30 WeakPolarHBondContact O-CB 3.44Å; S26-S30 PolarHBondContact O-N 2.95Å; S26-S30 PolarHBondContact O-OG 3.3Å; S26-L72 VanDerWaalsContact OG-CD1 3.26Å; S26-L72 WeakPolarHBondContact OG-CD1 3.35Å; S26-T75 WeakPolarHBondContact CB-OG1 3.37Å; S26-Q76 PolarHBondContact OG-NE2 3.09Å
27F96.9Very high95.5Very high135 Ų13554.1 Ų54.159%0.59227%0.266SS*.Hα-helixtrans-62.3-49175.2174.5-101.3000111.7Y23 L24 S25 C29 S30 L31Y23-F27 PolarHBondContact O-N 3.36Å; L24-F27 PolarHBondContact O-N 3.33Å; S25-F27 VanDerWaalsContact C-N 3.35Å; S25-F27 PolarHBondContact O-N 3.09Å; F27-C29 VanDerWaalsContact C-N 3.33Å; F27-C29 PolarHBondContact O-N 3.44Å; F27-S30 PolarHBondContact O-N 3.27Å; F27-L31 PolarHBondContact O-N 3.12Å
28V97Very high95.7Very high11 Ų1154 Ų547%0.06727%0.268CS..Hα-helixtrans-60.3-43.1178.2172.10000111.1L24 S25 G32 L302 L305 L306 A309L24-V28 HydrophobicContact CD1-CG2 4.48Å; L24-V28 WeakPolarHBondContact O-CG2 3.3Å; L24-V28 PolarHBondContact O-N 3.44Å; S25-V28 PolarHBondContact O-N 3.04Å; V28-G32 WeakPolarHBondContact O-CA 3.48Å; V28-G32 PolarHBondContact O-N 2.95Å; V28-L302 HydrophobicContact CG2-CD1 4.1Å; V28-L305 HydrophobicContact CG1-CB 4.01Å; V28-L306 HydrophobicContact CG1-CD2 4.01Å; V28-L306 HydrophobicContact CG1-CG 4.39Å; V28-L306 HydrophobicContact CG2-CD2 3.81Å; V28-A309 HydrophobicContact CG1-CB 4.23Å
29C97.8Very high96Very high0 Ų049.5 Ų49.50%025%0.247CC..Hα-helixtrans-64.4-45.8177.5-69.80000112.2S25 S26 F27 L31 G32 I33 M68 L72S25-C29 WeakPolarHBondContact O-CB 3.46Å; S25-C29 PolarHBondContact O-N 3.43Å; S25-C29 PolarHBondContact O-SG 2.7Å; S26-C29 PolarHBondContact O-N 2.92Å; F27-C29 VanDerWaalsContact C-N 3.33Å; F27-C29 PolarHBondContact O-N 3.44Å; C29-L31 PolarHBondContact O-N 3.03Å; C29-G32 PolarHBondContact O-N 3.34Å; C29-I33 WeakPolarHBondContact O-CB 3.28Å; C29-I33 WeakPolarHBondContact O-CD1 3.32Å; C29-I33 WeakPolarHBondContact O-CG1 3.47Å; C29-I33 PolarHBondContact O-N 3.35Å; C29-M68 VanDerWaalsContact CA-SD 3.57Å; C29-M68 HydrophobicContact CB-SD 4.01Å; C29-L72 HydrophobicContact CB-CB 3.89Å; C29-L72 HydrophobicContact CB-CD1 4.14Å
30S97Very high96.3Very high49 Ų4943.1 Ų43.134%0.34322%0.221SC..Hα-helixtrans-60.2-47.1179.9-590000111.3S26 F27 V34S26-S30 WeakPolarHBondContact O-CB 3.44Å; S26-S30 PolarHBondContact O-N 2.95Å; S26-S30 PolarHBondContact O-OG 3.3Å; F27-S30 PolarHBondContact O-N 3.27Å; S30-V34 PolarHBondContact O-N 3.4Å
31L96.8Very high96.4Very high83 Ų8341.1 Ų41.144%0.43521%0.213SC..Hα-helixtrans-64.6-46.2174.7-178.462000111.2F27 C29 I33 V34 L35F27-L31 PolarHBondContact O-N 3.12Å; C29-L31 PolarHBondContact O-N 3.03Å; L31-I33 VanDerWaalsContact C-N 3.32Å; L31-I33 PolarHBondContact O-N 3.46Å; L31-V34 PolarHBondContact O-N 2.89Å; L31-L35 HydrophobicContact CD1-CD1 4.2Å; L31-L35 HydrophobicContact CD1-CG 4.16Å; L31-L35 HydrophobicContact CD2-CD1 4.47Å; L31-L35 HydrophobicContact CG-CD1 3.92Å; L31-L35 HydrophobicContact CG-CG 4.25Å; L31-L35 VanDerWaalsContact O-CG 3.3Å; L31-L35 WeakPolarHBondContact O-CG 3.25Å; L31-L35 PolarHBondContact O-N 3.16Å
32G97.3Very high96.4Very high0 Ų040.6 Ų40.60%021%0.21CC..Hα-helixtrans-59.3-38.2-179.500000113.4V28 C29 L35 N36V28-G32 WeakPolarHBondContact O-CA 3.48Å; V28-G32 PolarHBondContact O-N 2.95Å; C29-G32 PolarHBondContact O-N 3.34Å; G32-L35 PolarHBondContact O-N 3.06Å; G32-N36 VanDerWaalsContact O-CB 3.32Å; G32-N36 WeakPolarHBondContact O-CB 3.33Å; G32-N36 PolarHBondContact O-N 3.45Å; G32-N36 PolarHBondContact O-ND2 3.35Å
33I98.1Very high96.4Very high28 Ų2840.3 Ų40.314%0.14421%0.208CC..Hα-helixtrans-60.9-51.8174.6-73.5164000110.2C29 L31 L35 N36 L37 L65 M68 L72C29-I33 WeakPolarHBondContact O-CB 3.28Å; C29-I33 WeakPolarHBondContact O-CD1 3.32Å; C29-I33 WeakPolarHBondContact O-CG1 3.47Å; C29-I33 PolarHBondContact O-N 3.35Å; L31-I33 VanDerWaalsContact C-N 3.32Å; L31-I33 PolarHBondContact O-N 3.46Å; I33-L35 VanDerWaalsContact C-N 3.35Å; I33-L35 PolarHBondContact O-N 2.85Å; I33-N36 PolarHBondContact O-N 2.87Å; I33-L37 HydrophobicContact CG2-CD1 3.98Å; I33-L37 WeakPolarHBondContact O-CB 3.23Å; I33-L37 WeakPolarHBondContact O-CG 3.32Å; I33-L37 PolarHBondContact O-N 2.73Å; I33-L65 HydrophobicContact CB-CD1 4.13Å; I33-L65 HydrophobicContact CG1-CD1 4.16Å; I33-L65 HydrophobicContact CG2-CD1 3.77Å; I33-M68 HydrophobicContact CD1-CB 4.42Å; I33-M68 HydrophobicContact CG1-CB 3.73Å; I33-L72 HydrophobicContact CD1-CB 4.35Å; I33-L72 HydrophobicContact CD1-CD2 3.7Å
34V96.9Very high96.3Very high85 Ų8536.5 Ų36.552%0.51520%0.201SC..Hα-helixtrans-59.6-47.6179.3175.80000110.5S30 L31 N36 L37 V38S30-V34 PolarHBondContact O-N 3.4Å; L31-V34 PolarHBondContact O-N 2.89Å; V34-N36 PolarHBondContact O-N 2.95Å; V34-L37 PolarHBondContact O-N 3.36Å; V34-V38 VanDerWaalsContact O-CG2 3.29Å; V34-V38 WeakPolarHBondContact O-CG2 3.07Å; V34-V38 PolarHBondContact O-N 3.17Å
35L96.5Very high96.1Very high29 Ų2939.2 Ų39.215%0.15221%0.206CC..Hα-helixtrans-64.1-39.1-179.3-66.8-175.8000112.7L31 G32 I33 V38 N39 F312L31-L35 HydrophobicContact CD1-CD1 4.2Å; L31-L35 HydrophobicContact CD1-CG 4.16Å; L31-L35 HydrophobicContact CD2-CD1 4.47Å; L31-L35 HydrophobicContact CG-CD1 3.92Å; L31-L35 HydrophobicContact CG-CG 4.25Å; L31-L35 VanDerWaalsContact O-CG 3.3Å; L31-L35 WeakPolarHBondContact O-CG 3.25Å; L31-L35 PolarHBondContact O-N 3.16Å; G32-L35 PolarHBondContact O-N 3.06Å; I33-L35 VanDerWaalsContact C-N 3.35Å; I33-L35 PolarHBondContact O-N 2.85Å; L35-V38 PolarHBondContact O-N 3.42Å; L35-N39 PolarHBondContact O-N 3.07Å; L35-F312 HydrophobicContact CB-CB 3.84Å; L35-F312 HydrophobicContact CB-CG 4.28Å; L35-F312 HydrophobicContact CD1-CB 4.33Å; L35-F312 HydrophobicContact CD2-CB 4.31Å; L35-F312 HydrophobicContact CD2-CD1 3.67Å; L35-F312 HydrophobicContact CD2-CE1 4.06Å; L35-F312 HydrophobicContact CD2-CG 3.92Å; L35-F312 HydrophobicContact CG-CB 4.38Å
36N96.5Very high95.6Very high0 Ų043.1 Ų43.10%023%0.234CC..Hα-helixtrans-73.5-34.1177.2-81.8-65.6000112.9G32 I33 V34 V38 N39 I40 L65 S308G32-N36 VanDerWaalsContact O-CB 3.32Å; G32-N36 WeakPolarHBondContact O-CB 3.33Å; G32-N36 PolarHBondContact O-N 3.45Å; G32-N36 PolarHBondContact O-ND2 3.35Å; I33-N36 PolarHBondContact O-N 2.87Å; V34-N36 PolarHBondContact O-N 2.95Å; N36-V38 VanDerWaalsContact C-N 3.34Å; N36-N39 WeakPolarHBondContact O-CB 3.39Å; N36-N39 PolarHBondContact O-N 3.32Å; N36-I40 VanDerWaalsContact O-CG1 3.27Å; N36-I40 WeakPolarHBondContact O-CG1 3.42Å; N36-I40 PolarHBondContact O-N 2.97Å; N36-L65 HydrophobicContact CB-CB 4.25Å; N36-S308 PolarHBondContact ND2-O 2.97Å
37L96.8Very high95Very high84 Ų8453.3 Ų53.344%0.4427%0.27SS..Hα-helixtrans-60.3-45.6169.3-75.7169.7000111.2I33 V34 N39 I40 V41 L65I33-L37 HydrophobicContact CG2-CD1 3.98Å; I33-L37 WeakPolarHBondContact O-CB 3.23Å; I33-L37 WeakPolarHBondContact O-CG 3.32Å; I33-L37 PolarHBondContact O-N 2.73Å; V34-L37 PolarHBondContact O-N 3.36Å; L37-N39 VanDerWaalsContact C-N 3.35Å; L37-N39 PolarHBondContact O-N 3.07Å; L37-I40 PolarHBondContact O-N 2.94Å; L37-V41 WeakPolarHBondContact O-CG2 2.99Å; L37-V41 PolarHBondContact O-N 3.4Å; L37-L65 HydrophobicContact CD2-CD1 4.31Å; L37-L65 HydrophobicContact CD2-CD2 3.73Å; L37-L65 HydrophobicContact CG-CD1 3.99Å; L37-L65 HydrophobicContact CG-CD2 4.28Å
38V95.5Very high94.4Very high24 Ų2447.1 Ų47.115%0.14524%0.243CC..Hα-helixtrans-60.1-44.51751720000110.9V34 L35 N36 I40 V41 I42 F312 F326 F330V34-V38 VanDerWaalsContact O-CG2 3.29Å; V34-V38 WeakPolarHBondContact O-CG2 3.07Å; V34-V38 PolarHBondContact O-N 3.17Å; L35-V38 PolarHBondContact O-N 3.42Å; N36-V38 VanDerWaalsContact C-N 3.34Å; V38-I40 PolarHBondContact O-N 3.17Å; V38-V41 PolarHBondContact O-N 2.82Å; V38-I42 HydrophobicContact CG1-CD1 3.52Å; V38-I42 HydrophobicContact CG1-CG1 4.45Å; V38-I42 VanDerWaalsContact O-CD1 3.29Å; V38-I42 WeakPolarHBondContact O-CD1 3.31Å; V38-I42 VanDerWaalsContact O-CG1 3.25Å; V38-I42 WeakPolarHBondContact O-CG1 3.37Å; V38-I42 PolarHBondContact O-N 3.13Å; V38-F312 HydrophobicContact CB-CE2 4.36Å; V38-F312 HydrophobicContact CG1-CD2 4Å; V38-F312 HydrophobicContact CG1-CE2 3.47Å; V38-F312 VanDerWaalsContact CG1-CE2 3.47Å; V38-F312 HydrophobicContact CG1-CZ 4.35Å; V38-F326 HydrophobicContact CG1-CD2 4.27Å; V38-F326 HydrophobicContact CG1-CE2 4.22Å; V38-F330 HydrophobicContact CB-CZ 4.44Å; V38-F330 HydrophobicContact CG1-CE2 3.82Å; V38-F330 HydrophobicContact CG1-CZ 3.98Å; V38-F330 HydrophobicContact CG2-CZ 4Å
39N95.3Very high93.8Very high0 Ų051.9 Ų51.90%026%0.263CS..Hα-helixtrans-55.1-50173.9-77.1-26.9000111.6L35 N36 L37 V41 I42 L43 F312 Y315 F322L35-N39 PolarHBondContact O-N 3.07Å; N36-N39 WeakPolarHBondContact O-CB 3.39Å; N36-N39 PolarHBondContact O-N 3.32Å; L37-N39 VanDerWaalsContact C-N 3.35Å; L37-N39 PolarHBondContact O-N 3.07Å; N39-V41 PolarHBondContact O-N 3.44Å; N39-I42 PolarHBondContact O-N 3.25Å; N39-L43 HydrophobicContact CB-CD1 4.41Å; N39-L43 VanDerWaalsContact O-CB 3.31Å; N39-L43 WeakPolarHBondContact O-CB 3.47Å; N39-L43 WeakPolarHBondContact O-CG 3.45Å; N39-L43 PolarHBondContact O-N 2.99Å; N39-F312 PolarHBondContact ND2-N 3.17Å; N39-F312 WeakPolarHBondContact OD1-CA 3.43Å; N39-F312 WeakPolarHBondContact OD1-CD2 3.47Å; N39-Y315 WeakPolarHBondContact OD1-CD2 3.4Å; N39-F322 VanDerWaalsContact OD1-CZ 3.24Å; N39-F322 WeakPolarHBondContact OD1-CZ 3.42Å
40I96.5Very high93.2Very high31 Ų3157.9 Ų57.916%0.15929%0.294CS..Hα-helixtrans-59.9-48.7-179.8-67.7163.2000110.4N36 L37 V38 I42 L43 T44 T58 I62 L65N36-I40 VanDerWaalsContact O-CG1 3.27Å; N36-I40 WeakPolarHBondContact O-CG1 3.42Å; N36-I40 PolarHBondContact O-N 2.97Å; L37-I40 PolarHBondContact O-N 2.94Å; V38-I40 PolarHBondContact O-N 3.17Å; I40-I42 VanDerWaalsContact C-N 3.29Å; I40-I42 PolarHBondContact O-N 3.1Å; I40-L43 PolarHBondContact O-N 3Å; I40-T44 HydrophobicContact CG2-CG2 4.12Å; I40-T44 VanDerWaalsContact O-CB 3.3Å; I40-T44 WeakPolarHBondContact O-CB 2.93Å; I40-T44 WeakPolarHBondContact O-CG2 3.49Å; I40-T44 PolarHBondContact O-N 3.5Å; I40-T44 PolarHBondContact O-OG1 3.39Å; I40-T58 HydrophobicContact CG2-CG2 4.35Å; I40-I62 HydrophobicContact CD1-CG1 3.75Å; I40-I62 HydrophobicContact CG1-CG1 4.12Å; I40-L65 HydrophobicContact CD1-CD2 3.83Å
41V95.2Very high92.9Very high60 Ų6057.7 Ų57.736%0.36429%0.292SS..Hα-helixtrans-57.9-42.4179.6169.20000111.5L37 V38 N39 T44 R45 V329L37-V41 WeakPolarHBondContact O-CG2 2.99Å; L37-V41 PolarHBondContact O-N 3.4Å; V38-V41 PolarHBondContact O-N 2.82Å; N39-V41 PolarHBondContact O-N 3.44Å; V41-T44 PolarHBondContact O-OG1 3.39Å; V41-R45 WeakPolarHBondContact O-CG 3.39Å; V41-V329 HydrophobicContact CG1-CG1 4.3Å
42I94.8Very high92.6Very high0 Ų054.6 Ų54.60%028%0.277CS..Hα-helixtrans-70.7-51.9-179.2-67.7159.8000110.7V38 N39 I40 T44 R45 M48 F312 F322 V325 F326 F330V38-I42 HydrophobicContact CG1-CD1 3.52Å; V38-I42 HydrophobicContact CG1-CG1 4.45Å; V38-I42 VanDerWaalsContact O-CD1 3.29Å; V38-I42 WeakPolarHBondContact O-CD1 3.31Å; V38-I42 VanDerWaalsContact O-CG1 3.25Å; V38-I42 WeakPolarHBondContact O-CG1 3.37Å; V38-I42 PolarHBondContact O-N 3.13Å; N39-I42 PolarHBondContact O-N 3.25Å; I40-I42 VanDerWaalsContact C-N 3.29Å; I40-I42 PolarHBondContact O-N 3.1Å; I42-T44 VanDerWaalsContact C-N 3.26Å; I42-T44 PolarHBondContact O-N 3.41Å; I42-R45 WeakPolarHBondContact O-CB 3.33Å; I42-R45 PolarHBondContact O-N 3.11Å; I42-R45 VanDerWaalsContact O-N 3.15Å; I42-M48 HydrophobicContact CG2-CE 4.35Å; I42-M48 HydrophobicContact CG2-SD 3.52Å; I42-M48 VanDerWaalsContact CG2-SD 3.52Å; I42-F312 HydrophobicContact CD1-CE2 4.49Å; I42-F322 HydrophobicContact CB-CD2 4.49Å; I42-F322 HydrophobicContact CB-CE2 3.92Å; I42-F322 HydrophobicContact CB-CZ 4.11Å; I42-F322 HydrophobicContact CD1-CE1 3.64Å; I42-F322 HydrophobicContact CD1-CE2 4.07Å; I42-F322 HydrophobicContact CD1-CZ 3.37Å; I42-F322 HydrophobicContact CG1-CZ 4.37Å; I42-F322 HydrophobicContact CG2-CD1 4.48Å; I42-F322 HydrophobicContact CG2-CD2 3.6Å; I42-F322 HydrophobicContact CG2-CE1 4.39Å; I42-F322 HydrophobicContact CG2-CE2 3.51Å; I42-F322 HydrophobicContact CG2-CG 4.1Å; I42-F322 HydrophobicContact CG2-CZ 3.94Å; I42-V325 HydrophobicContact CG2-CB 4.09Å; I42-V325 HydrophobicContact CG2-CG1 3.9Å; I42-F326 HydrophobicContact CD1-CB 3.97Å; I42-F326 HydrophobicContact CD1-CD2 3.72Å; I42-F326 HydrophobicContact CD1-CG 4.33Å; I42-F330 HydrophobicContact CD1-CE2 4.2Å; I42-F330 HydrophobicContact CG1-CE2 4.13Å
43L93.9Very high92.3Very high2 Ų255 Ų551%0.0128%0.28CS..Hα-helixtrans-67.1-27-173.9-66.1170.6000112.7N39 I40 M48 N54 L57 T58 Y315 F322N39-L43 HydrophobicContact CB-CD1 4.41Å; N39-L43 VanDerWaalsContact O-CB 3.31Å; N39-L43 WeakPolarHBondContact O-CB 3.47Å; N39-L43 WeakPolarHBondContact O-CG 3.45Å; N39-L43 PolarHBondContact O-N 2.99Å; I40-L43 PolarHBondContact O-N 3Å; L43-M48 HydrophobicContact CD2-CE 3.75Å; L43-M48 VanDerWaalsContact O-CB 3.29Å; L43-M48 WeakPolarHBondContact O-CB 3.28Å; L43-N54 HydrophobicContact CD2-CB 4.15Å; L43-L57 HydrophobicContact CD1-CB 3.77Å; L43-L57 HydrophobicContact CD2-CB 4.48Å; L43-T58 WeakPolarHBondContact CB-OG1 3.38Å; L43-Y315 HydrophobicContact CD1-CD2 4.48Å; L43-Y315 HydrophobicContact CD1-CE2 4.05Å; L43-F322 HydrophobicContact CD2-CD2 4Å; L43-F322 HydrophobicContact CD2-CE2 4.11Å; L43-F322 HydrophobicContact CG-CD2 4.49Å; L43-F322 HydrophobicContact CG-CE2 4.11Å
44T93.8Very high92Very high67 Ų6754.8 Ų54.841%0.41128%0.278SS..THydrogen-bonded Turntrans-82.9-7.3177.457.20000114.1I40 V41 I42 T58I40-T44 HydrophobicContact CG2-CG2 4.12Å; I40-T44 VanDerWaalsContact O-CB 3.3Å; I40-T44 WeakPolarHBondContact O-CB 2.93Å; I40-T44 WeakPolarHBondContact O-CG2 3.49Å; I40-T44 PolarHBondContact O-N 3.5Å; I40-T44 PolarHBondContact O-OG1 3.39Å; V41-T44 PolarHBondContact O-OG1 3.39Å; I42-T44 VanDerWaalsContact C-N 3.26Å; I42-T44 PolarHBondContact O-N 3.41Å; T44-T58 HydrophobicContact CG2-CG2 3.73Å
45R93Very high91.9Very high123 Ų12352.1 Ų52.146%0.46426%0.262SS..SBendtrans-57.2145.5174.8-72.2-61-174.11680.1111.3V41 I42 R47 M48 K49 V325 V329V41-R45 WeakPolarHBondContact O-CG 3.39Å; I42-R45 WeakPolarHBondContact O-CB 3.33Å; I42-R45 PolarHBondContact O-N 3.11Å; I42-R45 VanDerWaalsContact O-N 3.15Å; R45-R47 PolarHBondContact O-N 2.93Å; R45-M48 WeakPolarHBondContact O-CA 3.49Å; R45-M48 PolarHBondContact O-N 3.49Å; R45-K49 PolarHBondContact O-N 3.43Å; R45-V325 HydrophobicContact CB-CG1 4.14Å; R45-V325 HydrophobicContact CG-CG1 3.87Å; R45-V329 HydrophobicContact CG-CG2 4.21Å
46S85Confident91.9Very high83 Ų8350.8 Ų50.858%0.5826%0.255SS*.THydrogen-bonded Turntrans-52.9-34.5-171.9-62.70000114.8
47R83.9Confident91.8Very high226 Ų22650.8 Ų50.885%0.85326%0.255SS*.THydrogen-bonded Turntrans-75.1-27176.3-65.8-173.9178.1-177.4-0113.4R45R45-R47 PolarHBondContact O-N 2.93Å
48M85.6Confident91.8Very high5 Ų547.5 Ų47.53%0.02524%0.239CC..THydrogen-bonded Turntrans-88.3-39.7-177.4-65.5-160.775.200112.4I42 L43 R45 L50 C51 N54 F322 V325I42-M48 HydrophobicContact CG2-CE 4.35Å; I42-M48 HydrophobicContact CG2-SD 3.52Å; I42-M48 VanDerWaalsContact CG2-SD 3.52Å; L43-M48 HydrophobicContact CD2-CE 3.75Å; L43-M48 VanDerWaalsContact O-CB 3.29Å; L43-M48 WeakPolarHBondContact O-CB 3.28Å; R45-M48 WeakPolarHBondContact O-CA 3.49Å; R45-M48 PolarHBondContact O-N 3.49Å; M48-L50 PolarHBondContact O-N 2.97Å; M48-L50 VanDerWaalsContact O-N 3.11Å; M48-C51 PolarHBondContact O-N 3.46Å; M48-N54 WeakPolarHBondContact O-CB 3.39Å; M48-N54 PolarHBondContact O-ND2 3.25Å; M48-F322 HydrophobicContact CE-CB 4.46Å; M48-F322 HydrophobicContact CE-CD2 4.2Å; M48-V325 HydrophobicContact CG-CG1 4.49Å; M48-V325 HydrophobicContact CG-CG2 3.95Å; M48-V325 HydrophobicContact SD-CB 3.82Å; M48-V325 HydrophobicContact SD-CG1 3.9Å; M48-V325 HydrophobicContact SD-CG2 3.75Å
49K84.3Confident91.9Very high111 Ų11147.4 Ų47.448%0.48324%0.24SC..THydrogen-bonded Turntrans-65-14.4-177.573.6-176.8-175.4-174.90115.2R45 C51 P139R45-K49 PolarHBondContact O-N 3.43Å; K49-C51 PolarHBondContact O-N 3.38Å; K49-P139 WeakPolarHBondContact O-CB 3.45Å
50L85.7Confident91.9Very high126 Ų12647.4 Ų47.466%0.6624%0.24SC*.THydrogen-bonded Turntrans-69.8-22.8173.6-68.5169.4000112.3M48M48-L50 PolarHBondContact O-N 2.97Å; M48-L50 VanDerWaalsContact O-N 3.11Å
51C88.9Confident92Very high44 Ų4445.9 Ų45.930%0.29723%0.233SC..SBendtrans-87.3123.7177-171.50000110.3M48 K49 I53 N54 V55M48-C51 PolarHBondContact O-N 3.46Å; K49-C51 PolarHBondContact O-N 3.38Å; C51-I53 PolarHBondContact O-N 2.84Å; C51-N54 HydrophobicContact CB-CB 4.33Å; C51-N54 PolarHBondContact O-N 2.93Å; C51-N54 VanDerWaalsContact O-N 3.09Å; C51-V55 PolarHBondContact O-N 3.47Å
52P91.2Very high92.1Very high19 Ų1946.9 Ų46.912%0.12324%0.235CC..Hα-helixtrans-60.6-30.3179.826.7-38.3000113.1V55 I56 C137 A142P52-V55 WeakPolarHBondContact O-CB 3.44Å; P52-V55 PolarHBondContact O-N 3.24Å; P52-I56 PolarHBondContact O-N 3.45Å; P52-C137 HydrophobicContact CB-CB 3.82Å; P52-C137 WeakPolarHBondContact CB-O 3.49Å; P52-C137 HydrophobicContact CG-CB 3.8Å; P52-C137 VanDerWaalsContact CG-O 3.25Å; P52-C137 WeakPolarHBondContact CG-O 3.45Å; P52-A142 HydrophobicContact CB-CB 3.77Å
53I90.9Very high92.2Very high9 Ų947.4 Ų47.45%0.04624%0.238CC..Hα-helixtrans-64.6-43.2177.1-66.9129000110.5C51 V55 I56 L57 L118C51-I53 PolarHBondContact O-N 2.84Å; I53-V55 VanDerWaalsContact C-N 3.26Å; I53-V55 PolarHBondContact O-N 3.24Å; I53-I56 PolarHBondContact O-N 2.9Å; I53-I56 VanDerWaalsContact O-N 3.15Å; I53-L57 HydrophobicContact CG2-CD1 3.76Å; I53-L57 HydrophobicContact CG2-CG 4.19Å; I53-L57 VanDerWaalsContact O-CG 3.26Å; I53-L57 WeakPolarHBondContact O-CG 3.3Å; I53-L57 PolarHBondContact O-N 2.9Å; I53-L118 HydrophobicContact CG2-CD1 3.97Å; I53-L118 HydrophobicContact CG2-CD2 4.44Å; I53-L118 HydrophobicContact CG2-CG 4.16Å
54N92.2Very high92.4Very high22 Ų2247.3 Ų47.312%0.11824%0.238CC..Hα-helixtrans-65.7-32.9179.4-65.2-16.4000111.5L43 M48 C51 I56 L57 T58L43-N54 HydrophobicContact CD2-CB 4.15Å; M48-N54 WeakPolarHBondContact O-CB 3.39Å; M48-N54 PolarHBondContact O-ND2 3.25Å; C51-N54 HydrophobicContact CB-CB 4.33Å; C51-N54 PolarHBondContact O-N 2.93Å; C51-N54 VanDerWaalsContact O-N 3.09Å; N54-I56 VanDerWaalsContact C-N 3.33Å; N54-I56 PolarHBondContact O-N 2.84Å; N54-L57 PolarHBondContact O-N 3.05Å; N54-T58 PolarHBondContact O-N 3.47Å; N54-T58 PolarHBondContact O-OG1 3.35Å
55V95.4Very high92.6Very high30 Ų3045.5 Ų45.518%0.18223%0.226CC..Hα-helixtrans-60.1-44.2173177.50000111.3C51 P52 I53 T58 A59 P139 A142 A143C51-V55 PolarHBondContact O-N 3.47Å; P52-V55 WeakPolarHBondContact O-CB 3.44Å; P52-V55 PolarHBondContact O-N 3.24Å; I53-V55 VanDerWaalsContact C-N 3.26Å; I53-V55 PolarHBondContact O-N 3.24Å; V55-T58 WeakPolarHBondContact O-CB 3.41Å; V55-T58 PolarHBondContact O-N 2.96Å; V55-A59 PolarHBondContact O-N 3.36Å; V55-P139 HydrophobicContact CG2-CB 3.73Å; V55-A142 HydrophobicContact CB-CB 4.44Å; V55-A142 HydrophobicContact CG1-CB 4.46Å; V55-A143 HydrophobicContact CG1-CB 3.91Å
56I95.8Very high92.8Very high0 Ų042.2 Ų42.20%022%0.221CC..Hα-helixtrans-68.3-42.3178-63.4165.8000111P52 I53 N54 T58 A59 I60 L114 L117 L118 I121 A142P52-I56 PolarHBondContact O-N 3.45Å; I53-I56 PolarHBondContact O-N 2.9Å; I53-I56 VanDerWaalsContact O-N 3.15Å; N54-I56 VanDerWaalsContact C-N 3.33Å; N54-I56 PolarHBondContact O-N 2.84Å; I56-T58 VanDerWaalsContact C-N 3.27Å; I56-T58 PolarHBondContact O-N 2.93Å; I56-A59 WeakPolarHBondContact O-CB 3.49Å; I56-A59 PolarHBondContact O-N 3.37Å; I56-A59 VanDerWaalsContact O-N 3.11Å; I56-I60 HydrophobicContact CG2-CD1 4.11Å; I56-I60 WeakPolarHBondContact O-CG1 3.36Å; I56-I60 PolarHBondContact O-N 3.06Å; I56-L114 HydrophobicContact CG2-CB 3.98Å; I56-L114 HydrophobicContact CG2-CD2 4.28Å; I56-L114 WeakPolarHBondContact CG2-O 3.42Å; I56-L117 HydrophobicContact CD1-CD2 3.83Å; I56-L117 HydrophobicContact CD1-CG 3.93Å; I56-L117 HydrophobicContact CG1-CD2 4.24Å; I56-L118 HydrophobicContact CB-CD1 4.46Å; I56-L118 HydrophobicContact CG2-CB 4.1Å; I56-L118 HydrophobicContact CG2-CD1 4.15Å; I56-I121 HydrophobicContact CD1-CD1 3.48Å; I56-I121 VanDerWaalsContact CD1-CD1 3.48Å; I56-A142 HydrophobicContact CD1-CB 4.21Å; I56-A142 HydrophobicContact CG1-CB 4.13Å
57L94.4Very high93.4Very high0 Ų038.3 Ų38.30%019%0.193CC..Hα-helixtrans-62.8-34.5176.1-63.9167000111.9L43 I53 N54 I60 S61 L118 M260 Y315L43-L57 HydrophobicContact CD1-CB 3.77Å; L43-L57 HydrophobicContact CD2-CB 4.48Å; I53-L57 HydrophobicContact CG2-CD1 3.76Å; I53-L57 HydrophobicContact CG2-CG 4.19Å; I53-L57 VanDerWaalsContact O-CG 3.26Å; I53-L57 WeakPolarHBondContact O-CG 3.3Å; I53-L57 PolarHBondContact O-N 2.9Å; N54-L57 PolarHBondContact O-N 3.05Å; L57-I60 HydrophobicContact CD2-CD1 4.46Å; L57-S61 PolarHBondContact O-N 2.89Å; L57-S61 PolarHBondContact O-OG 2.62Å; L57-L118 HydrophobicContact CD2-CD1 3.44Å; L57-L118 VanDerWaalsContact CD2-CD1 3.44Å; L57-L118 HydrophobicContact CG-CD1 3.77Å; L57-M260 HydrophobicContact CD1-CE 3.36Å; L57-M260 HydrophobicContact CD2-CE 3.91Å; L57-M260 HydrophobicContact CG-CE 4.31Å; L57-Y315 HydrophobicContact CB-CE2 4.39Å; L57-Y315 HydrophobicContact CD2-CE1 3.84Å; L57-Y315 WeakPolarHBondContact CD2-OH 3.16Å
58T96.2Very high94Very high16 Ų1627.5 Ų27.510%0.09815%0.153CC..Hα-helixtrans-64.4-45.5171.5-58.70000110.6I40 L43 T44 N54 V55 I56 I60 S61 I62I40-T58 HydrophobicContact CG2-CG2 4.35Å; L43-T58 WeakPolarHBondContact CB-OG1 3.38Å; T44-T58 HydrophobicContact CG2-CG2 3.73Å; N54-T58 PolarHBondContact O-N 3.47Å; N54-T58 PolarHBondContact O-OG1 3.35Å; V55-T58 WeakPolarHBondContact O-CB 3.41Å; V55-T58 PolarHBondContact O-N 2.96Å; I56-T58 VanDerWaalsContact C-N 3.27Å; I56-T58 PolarHBondContact O-N 2.93Å; T58-I60 VanDerWaalsContact C-N 3.32Å; T58-I60 PolarHBondContact O-N 2.89Å; T58-S61 PolarHBondContact O-N 3.02Å; T58-S61 VanDerWaalsContact O-N 3.15Å; T58-I62 HydrophobicContact CG2-CD1 4.01Å; T58-I62 HydrophobicContact CG2-CG1 4.48Å; T58-I62 WeakPolarHBondContact O-CG1 3.31Å; T58-I62 PolarHBondContact O-N 2.97Å
59A97.6Very high94.6Very high21 Ų2130 Ų3017%0.17417%0.168CC..Hα-helixtrans-60.7-41.1177.400000112.2V55 I56 I62 C63 L114V55-A59 PolarHBondContact O-N 3.36Å; I56-A59 WeakPolarHBondContact O-CB 3.49Å; I56-A59 PolarHBondContact O-N 3.37Å; I56-A59 VanDerWaalsContact O-N 3.11Å; A59-I62 PolarHBondContact O-N 3.34Å; A59-C63 PolarHBondContact O-N 2.89Å; A59-C63 PolarHBondContact O-SG 3.4Å; A59-L114 HydrophobicContact CB-CD1 3.78Å
60I96.7Very high95.2Very high0 Ų025.5 Ų25.50%015%0.15CC..Hα-helixtrans-57.3-50171.3-71.7163.2000110.5I56 L57 T58 I62 C63 D64 L114 T115I56-I60 HydrophobicContact CG2-CD1 4.11Å; I56-I60 WeakPolarHBondContact O-CG1 3.36Å; I56-I60 PolarHBondContact O-N 3.06Å; L57-I60 HydrophobicContact CD2-CD1 4.46Å; T58-I60 VanDerWaalsContact C-N 3.32Å; T58-I60 PolarHBondContact O-N 2.89Å; I60-I62 VanDerWaalsContact C-N 3.26Å; I60-I62 PolarHBondContact O-N 3.42Å; I60-C63 WeakPolarHBondContact O-CB 3.2Å; I60-C63 PolarHBondContact O-N 3.06Å; I60-C63 VanDerWaalsContact O-N 3.08Å; I60-D64 WeakPolarHBondContact CG2-OD2 3.37Å; I60-D64 PolarHBondContact O-N 3.5Å; I60-L114 HydrophobicContact CD1-CB 4.09Å; I60-L114 HydrophobicContact CG1-CB 3.73Å; I60-L114 HydrophobicContact CG1-CD1 3.96Å; I60-T115 HydrophobicContact CD1-CG2 3.5Å; I60-T115 HydrophobicContact CG1-CG2 4.5Å
61S97Very high95.7Very high0 Ų020.3 Ų20.30%012%0.122CC..Hα-helixtrans-63.2-31.8-179.1-50.50000112.6L57 T58 L65L57-S61 PolarHBondContact O-N 2.89Å; L57-S61 PolarHBondContact O-OG 2.62Å; T58-S61 PolarHBondContact O-N 3.02Å; T58-S61 VanDerWaalsContact O-N 3.15Å; S61-L65 WeakPolarHBondContact O-CB 3.31Å; S61-L65 PolarHBondContact O-N 3.17Å
62I97.9Very high96.1Very high81 Ų8119.9 Ų19.942%0.41512%0.117SC..Hα-helixtrans-69.2-44.8173.6-67.9165.3000110.5I40 T58 A59 I60 L65 C66I40-I62 HydrophobicContact CD1-CG1 3.75Å; I40-I62 HydrophobicContact CG1-CG1 4.12Å; T58-I62 HydrophobicContact CG2-CD1 4.01Å; T58-I62 HydrophobicContact CG2-CG1 4.48Å; T58-I62 WeakPolarHBondContact O-CG1 3.31Å; T58-I62 PolarHBondContact O-N 2.97Å; A59-I62 PolarHBondContact O-N 3.34Å; I60-I62 VanDerWaalsContact C-N 3.26Å; I60-I62 PolarHBondContact O-N 3.42Å; I62-L65 PolarHBondContact O-N 2.96Å; I62-C66 PolarHBondContact O-N 3.38Å; I62-C66 PolarHBondContact O-SG 3.12Å; I62-C66 VanDerWaalsContact O-SG 3.36Å
63C97.7Very high96.3Very high10 Ų1024 Ų247%0.06814%0.135CC..Hα-helixtrans-59.5-49.8176.7-62.50000110.7A59 I60 L65 C66 V67 L107A59-C63 PolarHBondContact O-N 2.89Å; A59-C63 PolarHBondContact O-SG 3.4Å; I60-C63 WeakPolarHBondContact O-CB 3.2Å; I60-C63 PolarHBondContact O-N 3.06Å; I60-C63 VanDerWaalsContact O-N 3.08Å; C63-L65 VanDerWaalsContact C-N 3.33Å; C63-L65 PolarHBondContact O-N 3.36Å; C63-C66 PolarHBondContact O-N 2.72Å; C63-V67 WeakPolarHBondContact O-CG2 3.43Å; C63-V67 PolarHBondContact O-N 2.76Å; C63-L107 HydrophobicContact CB-CB 4.38Å; C63-L107 HydrophobicContact CB-CD2 4.27Å
64D97.1Very high96.4Very high0 Ų025.1 Ų25.10%014%0.141CC..Hα-helixtrans-58.9-43.3178.1-69.4-22.5000111.3I60 C66 V67 M68 S308I60-D64 WeakPolarHBondContact CG2-OD2 3.37Å; I60-D64 PolarHBondContact O-N 3.5Å; D64-C66 PolarHBondContact O-N 2.96Å; D64-V67 PolarHBondContact O-N 3.11Å; D64-M68 VanDerWaalsContact O-CB 3.29Å; D64-M68 WeakPolarHBondContact O-CB 3.37Å; D64-M68 WeakPolarHBondContact O-CG 3.24Å; D64-M68 PolarHBondContact O-N 3.2Å; D64-S308 VanDerWaalsContact CG-OG 3.31Å; D64-S308 WeakPolarHBondContact OD1-CB 3.35Å; D64-S308 PolarHBondContact OD1-OG 2.81Å
65L97.7Very high96.5Very high30 Ų3024.1 Ų24.116%0.15714%0.136CC..Hα-helixtrans-59.5-45.9175.9177.465.9000112.4I33 N36 L37 I40 S61 I62 C63 M68 T69I33-L65 HydrophobicContact CB-CD1 4.13Å; I33-L65 HydrophobicContact CG1-CD1 4.16Å; I33-L65 HydrophobicContact CG2-CD1 3.77Å; N36-L65 HydrophobicContact CB-CB 4.25Å; L37-L65 HydrophobicContact CD2-CD1 4.31Å; L37-L65 HydrophobicContact CD2-CD2 3.73Å; L37-L65 HydrophobicContact CG-CD1 3.99Å; L37-L65 HydrophobicContact CG-CD2 4.28Å; I40-L65 HydrophobicContact CD1-CD2 3.83Å; S61-L65 WeakPolarHBondContact O-CB 3.31Å; S61-L65 PolarHBondContact O-N 3.17Å; I62-L65 PolarHBondContact O-N 2.96Å; C63-L65 VanDerWaalsContact C-N 3.33Å; C63-L65 PolarHBondContact O-N 3.36Å; L65-M68 PolarHBondContact O-N 3.13Å; L65-T69 WeakPolarHBondContact O-CB 3.45Å; L65-T69 PolarHBondContact O-N 2.96Å; L65-T69 PolarHBondContact O-OG1 3.47Å
66C97.5Very high96.4Very high53 Ų5326.5 Ų26.536%0.35815%0.145SC..Hα-helixtrans-65.2-44.6179.7-71.70000111.8I62 C63 D64 T69 T70 L107I62-C66 PolarHBondContact O-N 3.38Å; I62-C66 PolarHBondContact O-SG 3.12Å; I62-C66 VanDerWaalsContact O-SG 3.36Å; C63-C66 PolarHBondContact O-N 2.72Å; D64-C66 PolarHBondContact O-N 2.96Å; C66-T69 PolarHBondContact O-N 2.94Å; C66-T70 WeakPolarHBondContact O-CG2 3.07Å; C66-T70 PolarHBondContact O-N 3.28Å; C66-T70 VanDerWaalsContact O-N 3.09Å; C66-T70 PolarHBondContact O-OG1 3.01Å; C66-L107 HydrophobicContact CB-CD1 3.57Å
67V97.4Very high96.1Very high1 Ų126.8 Ų26.81%0.00615%0.148CC..Hα-helixtrans-57.1-53.4173.9168.90000110.1C63 D64 T69 T70 Y71 L107 H108 L305C63-V67 WeakPolarHBondContact O-CG2 3.43Å; C63-V67 PolarHBondContact O-N 2.76Å; D64-V67 PolarHBondContact O-N 3.11Å; V67-T69 VanDerWaalsContact C-N 3.28Å; V67-T69 PolarHBondContact O-N 2.88Å; V67-T70 PolarHBondContact O-N 3.36Å; V67-T70 PolarHBondContact O-OG1 3.36Å; V67-Y71 WeakPolarHBondContact O-CB 3.45Å; V67-Y71 PolarHBondContact O-N 2.83Å; V67-L107 HydrophobicContact CG2-CB 3.55Å; V67-L107 HydrophobicContact CG2-CD1 4.05Å; V67-L107 HydrophobicContact CG2-CG 4.48Å; V67-H108 VanDerWaalsContact CG1-NE2 3.26Å; V67-H108 WeakPolarHBondContact CG1-NE2 3.25Å; V67-L305 HydrophobicContact CG1-CD2 4.22Å
68M97.3Very high95.8Very high0 Ų030.5 Ų30.50%017%0.165CC..Hα-helixtrans-59.7-38.8-177.7-71.5-73.2172.500112.8C29 I33 D64 L65 L72 L305 A309C29-M68 VanDerWaalsContact CA-SD 3.57Å; C29-M68 HydrophobicContact CB-SD 4.01Å; I33-M68 HydrophobicContact CD1-CB 4.42Å; I33-M68 HydrophobicContact CG1-CB 3.73Å; D64-M68 VanDerWaalsContact O-CB 3.29Å; D64-M68 WeakPolarHBondContact O-CB 3.37Å; D64-M68 WeakPolarHBondContact O-CG 3.24Å; D64-M68 PolarHBondContact O-N 3.2Å; L65-M68 PolarHBondContact O-N 3.13Å; M68-L72 VanDerWaalsContact O-CB 3.26Å; M68-L72 WeakPolarHBondContact O-CB 3.42Å; M68-L72 PolarHBondContact O-N 3.49Å; M68-L305 VanDerWaalsContact CE-C 3.43Å; M68-L305 HydrophobicContact CE-CB 3.65Å; M68-L305 HydrophobicContact CE-CD2 3.63Å; M68-L305 HydrophobicContact CE-CG 4.24Å; M68-L305 WeakPolarHBondContact CE-O 3.44Å; M68-L305 HydrophobicContact SD-CB 4.34Å; M68-L305 HydrophobicContact SD-CD2 3.59Å; M68-L305 VanDerWaalsContact SD-CD2 3.59Å; M68-A309 HydrophobicContact CE-CB 4.41Å
69T97.6Very high95.6Very high56 Ų5632.1 Ų32.134%0.34417%0.172SC..Hα-helixtrans-65.6-49.1178.9-58.50000111L65 C66 V67 L72 M73L65-T69 WeakPolarHBondContact O-CB 3.45Å; L65-T69 PolarHBondContact O-N 2.96Å; L65-T69 PolarHBondContact O-OG1 3.47Å; C66-T69 PolarHBondContact O-N 2.94Å; V67-T69 VanDerWaalsContact C-N 3.28Å; V67-T69 PolarHBondContact O-N 2.88Å; T69-L72 PolarHBondContact O-N 3.43Å; T69-M73 WeakPolarHBondContact O-CG 3.24Å; T69-M73 PolarHBondContact O-N 2.94Å
70T96.7Very high95.1Very high18 Ų1835.1 Ų35.111%0.1119%0.189CC..Hα-helixtrans-69.1-35.3179.859.80000112.1C66 V67 M73 L74 F99 H100C66-T70 WeakPolarHBondContact O-CG2 3.07Å; C66-T70 PolarHBondContact O-N 3.28Å; C66-T70 VanDerWaalsContact O-N 3.09Å; C66-T70 PolarHBondContact O-OG1 3.01Å; V67-T70 PolarHBondContact O-N 3.36Å; V67-T70 PolarHBondContact O-OG1 3.36Å; T70-M73 WeakPolarHBondContact O-CB 3.45Å; T70-M73 PolarHBondContact O-N 2.9Å; T70-L74 PolarHBondContact O-N 3.2Å; T70-F99 HydrophobicContact CG2-CE1 4.21Å; T70-H100 WeakPolarHBondContact CB-ND1 3.16Å; T70-H100 PolarHBondContact OG1-CE1 3.4Å; T70-H100 PolarHBondContact OG1-ND1 3.44Å
71Y96.9Very high94.4Very high17 Ų1740.2 Ų40.27%0.06722%0.216CC..Hα-helixtrans-69.5-37175.2-154.5-77.6000112.1H21 V67 M73 L74 T75 H100 D301 L305H21-Y71 PolarHBondContact CE1-OH 3.42Å; H21-Y71 VanDerWaalsContact CE1-OH 3.26Å; H21-Y71 PolarHBondContact NE2-OH 2.81Å; V67-Y71 WeakPolarHBondContact O-CB 3.45Å; V67-Y71 PolarHBondContact O-N 2.83Å; Y71-M73 VanDerWaalsContact C-N 3.28Å; Y71-M73 PolarHBondContact O-N 3.49Å; Y71-L74 WeakPolarHBondContact O-CB 3.46Å; Y71-L74 PolarHBondContact O-N 2.93Å; Y71-L74 VanDerWaalsContact O-N 3.16Å; Y71-T75 HydrophobicContact CD1-CG2 3.66Å; Y71-T75 HydrophobicContact CE1-CG2 3.59Å; Y71-T75 WeakPolarHBondContact O-CG2 2.89Å; Y71-T75 PolarHBondContact O-N 3.23Å; Y71-T75 PolarHBondContact O-OG1 3.44Å; Y71-H100 AromaticContact CD2-CE1 3.63Å; Y71-H100 AromaticContact CD2-NE2 3.6Å; Y71-D301 HydrophobicContact CE2-CB 3.86Å; Y71-D301 WeakPolarHBondContact OH-CB 3.25Å; Y71-D301 PolarHBondContact OH-OD2 2.81Å; Y71-D301 VanDerWaalsContact OH-OD2 3.09Å; Y71-L305 HydrophobicContact CD1-CD1 3.52Å; Y71-L305 HydrophobicContact CD1-CD2 4.38Å; Y71-L305 HydrophobicContact CD2-CD1 4.26Å; Y71-L305 HydrophobicContact CD2-CD2 4.25Å; Y71-L305 HydrophobicContact CE1-CD1 3.52Å; Y71-L305 HydrophobicContact CE2-CD1 4.26Å; Y71-L305 HydrophobicContact CG-CD1 3.91Å; Y71-L305 HydrophobicContact CG-CD2 3.97Å
72L96.8Very high93.3Very high35 Ų3547 Ų4718%0.18325%0.246CC..Hα-helixtrans-58.2-44.3173.2-177.960.6000110.5S26 C29 I33 M68 T69 L74 T75 Q76S26-L72 VanDerWaalsContact OG-CD1 3.26Å; S26-L72 WeakPolarHBondContact OG-CD1 3.35Å; C29-L72 HydrophobicContact CB-CB 3.89Å; C29-L72 HydrophobicContact CB-CD1 4.14Å; I33-L72 HydrophobicContact CD1-CB 4.35Å; I33-L72 HydrophobicContact CD1-CD2 3.7Å; M68-L72 VanDerWaalsContact O-CB 3.26Å; M68-L72 WeakPolarHBondContact O-CB 3.42Å; M68-L72 PolarHBondContact O-N 3.49Å; T69-L72 PolarHBondContact O-N 3.43Å; L72-L74 VanDerWaalsContact C-N 3.32Å; L72-L74 PolarHBondContact O-N 3.45Å; L72-T75 PolarHBondContact O-N 2.88Å; L72-T75 PolarHBondContact O-OG1 3.49Å; L72-Q76 HydrophobicContact CD1-CG 4.06Å; L72-Q76 HydrophobicContact CG-CG 4.25Å; L72-Q76 WeakPolarHBondContact O-CB 3.42Å; L72-Q76 VanDerWaalsContact O-CG 3.25Å; L72-Q76 WeakPolarHBondContact O-CG 3.45Å; L72-Q76 PolarHBondContact O-N 3.46Å
73M95.5Very high91.9Very high104 Ų10445.7 Ų45.751%0.51224%0.238SC..Hα-helixtrans-60.3-39.6176.4-64173.392.400112.1T69 T70 Y71 A77 F96T69-M73 WeakPolarHBondContact O-CG 3.24Å; T69-M73 PolarHBondContact O-N 2.94Å; T70-M73 WeakPolarHBondContact O-CB 3.45Å; T70-M73 PolarHBondContact O-N 2.9Å; Y71-M73 VanDerWaalsContact C-N 3.28Å; Y71-M73 PolarHBondContact O-N 3.49Å; M73-A77 WeakPolarHBondContact O-CB 3.36Å; M73-A77 PolarHBondContact O-N 3.29Å; M73-A77 VanDerWaalsContact O-N 3.12Å; M73-F96 HydrophobicContact CB-CE1 4.04Å; M73-F96 HydrophobicContact CB-CE2 4.47Å; M73-F96 HydrophobicContact CB-CZ 3.61Å; M73-F96 HydrophobicContact CG-CZ 4.44Å; M73-F96 HydrophobicContact SD-CE2 4.08Å; M73-F96 HydrophobicContact SD-CZ 4.09Å
74L93.5Very high90.5Very high34 Ų3449 Ų4918%0.17826%0.258CS..Hα-helixtrans-58.4-54.6171.5-76.3-174.2000112.2T70 Y71 L72 Q76 A77 E78 W93 F96 V97 H100T70-L74 PolarHBondContact O-N 3.2Å; Y71-L74 WeakPolarHBondContact O-CB 3.46Å; Y71-L74 PolarHBondContact O-N 2.93Å; Y71-L74 VanDerWaalsContact O-N 3.16Å; L72-L74 VanDerWaalsContact C-N 3.32Å; L72-L74 PolarHBondContact O-N 3.45Å; L74-Q76 VanDerWaalsContact C-N 3.29Å; L74-Q76 PolarHBondContact O-N 3.31Å; L74-A77 PolarHBondContact O-N 2.98Å; L74-E78 PolarHBondContact O-N 2.69Å; L74-W93 HydrophobicContact CD2-CH2 3.79Å; L74-W93 HydrophobicContact CD2-CZ2 3.56Å; L74-F96 HydrophobicContact CD2-CD1 4.02Å; L74-F96 HydrophobicContact CD2-CE1 3.67Å; L74-F96 HydrophobicContact CG-CE1 3.97Å; L74-V97 HydrophobicContact CD2-CG2 3.95Å; L74-H100 HydrophobicContact CD1-CB 4.47Å; L74-H100 WeakPolarHBondContact CD1-CD2 3.41Å; L74-H100 VanDerWaalsContact CD1-NE2 3.32Å; L74-H100 WeakPolarHBondContact CD1-NE2 3.2Å
75T94.1Very high89.2Confident1 Ų153.6 Ų53.61%0.00629%0.286CS..Hα-helixtrans-63.1-35.6-176.557.90000112.6S26 Y71 L72 E78 I79S26-T75 WeakPolarHBondContact CB-OG1 3.37Å; Y71-T75 HydrophobicContact CD1-CG2 3.66Å; Y71-T75 HydrophobicContact CE1-CG2 3.59Å; Y71-T75 WeakPolarHBondContact O-CG2 2.89Å; Y71-T75 PolarHBondContact O-N 3.23Å; Y71-T75 PolarHBondContact O-OG1 3.44Å; L72-T75 PolarHBondContact O-N 2.88Å; L72-T75 PolarHBondContact O-OG1 3.49Å; T75-E78 PolarHBondContact O-N 3.36Å; T75-I79 WeakPolarHBondContact O-CD1 3.49Å; T75-I79 WeakPolarHBondContact O-CG1 3.47Å; T75-I79 PolarHBondContact O-N 3.43Å
76Q92.8Very high88.3Confident80 Ų8055.1 Ų55.137%0.37430%0.296SS..Hα-helixtrans-68.3-40177.3-70.8-64.3-55.500111.9S26 L72 L74 E78 I79 T80S26-Q76 PolarHBondContact OG-NE2 3.09Å; L72-Q76 HydrophobicContact CD1-CG 4.06Å; L72-Q76 HydrophobicContact CG-CG 4.25Å; L72-Q76 WeakPolarHBondContact O-CB 3.42Å; L72-Q76 VanDerWaalsContact O-CG 3.25Å; L72-Q76 WeakPolarHBondContact O-CG 3.45Å; L72-Q76 PolarHBondContact O-N 3.46Å; L74-Q76 VanDerWaalsContact C-N 3.29Å; L74-Q76 PolarHBondContact O-N 3.31Å; Q76-E78 VanDerWaalsContact C-N 3.32Å; Q76-I79 PolarHBondContact O-N 3.32Å; Q76-T80 WeakPolarHBondContact O-CB 3.2Å; Q76-T80 WeakPolarHBondContact O-CG2 3.4Å; Q76-T80 PolarHBondContact O-N 3.09Å; Q76-T80 PolarHBondContact O-OG1 2.97Å
77A90.5Very high87.5Confident6 Ų654.6 Ų54.65%0.0529%0.292CS..Hα-helixtrans-70.3-28.4176.300000113.4M73 L74 D81 F82 H83 W93M73-A77 WeakPolarHBondContact O-CB 3.36Å; M73-A77 PolarHBondContact O-N 3.29Å; M73-A77 VanDerWaalsContact O-N 3.12Å; L74-A77 PolarHBondContact O-N 2.98Å; A77-D81 PolarHBondContact O-N 3.41Å; A77-F82 PolarHBondContact O-N 2.95Å; A77-H83 PolarHBondContact O-ND1 3.46Å; A77-H83 VanDerWaalsContact O-ND1 3.09Å; A77-W93 HydrophobicContact CB-CE3 4.33Å; A77-W93 HydrophobicContact CB-CH2 3.05Å; A77-W93 HydrophobicContact CB-CZ2 3.42Å; A77-W93 VanDerWaalsContact CB-CZ2 3.42Å; A77-W93 HydrophobicContact CB-CZ3 3.56Å
78E88.2Confident86.8Confident78 Ų7859 Ų5936%0.36432%0.319SS..Hα-helixtrans-72.2-41.1171.6-171.2177178.700111.4P22 L74 T75 Q76 T80P22-E78 HydrophobicContact CB-CG 4.42Å; P22-E78 HydrophobicContact CG-CG 4.02Å; P22-E78 WeakPolarHBondContact CG-OE1 3.47Å; L74-E78 PolarHBondContact O-N 2.69Å; T75-E78 PolarHBondContact O-N 3.36Å; Q76-E78 VanDerWaalsContact C-N 3.32Å; E78-T80 PolarHBondContact O-N 3.23Å
79I90.4Very high86.2Confident50 Ų5060.1 Ų60.126%0.25633%0.331SS..Hα-helixtrans-68.4-34.6178.1-69.5163.8000112.3P22 Y23 T75 Q76P22-I79 HydrophobicContact CB-CD1 4.11Å; P22-I79 HydrophobicContact CB-CG1 3.69Å; Y23-I79 HydrophobicContact CD1-CD1 3.83Å; Y23-I79 HydrophobicContact CD1-CG1 4.16Å; Y23-I79 HydrophobicContact CE1-CD1 4.06Å; Y23-I79 HydrophobicContact CE1-CG1 3.94Å; Y23-I79 HydrophobicContact CE1-CG2 3.86Å; Y23-I79 HydrophobicContact CG-CD1 4.46Å; T75-I79 WeakPolarHBondContact O-CD1 3.49Å; T75-I79 WeakPolarHBondContact O-CG1 3.47Å; T75-I79 PolarHBondContact O-N 3.43Å; Q76-I79 PolarHBondContact O-N 3.32Å
80T87.8Confident85.6Confident84 Ų8459.1 Ų59.152%0.51532%0.323SS..THydrogen-bonded Turntrans-96.5-2.6-173.855.60000114Q76 E78 F82Q76-T80 WeakPolarHBondContact O-CB 3.2Å; Q76-T80 WeakPolarHBondContact O-CG2 3.4Å; Q76-T80 PolarHBondContact O-N 3.09Å; Q76-T80 PolarHBondContact O-OG1 2.97Å; E78-T80 PolarHBondContact O-N 3.23Å; T80-F82 PolarHBondContact O-N 3.34Å; T80-F82 WeakPolarHBondContact OG1-CB 3.41Å
81D81.5Confident85.2Confident106 Ų10661.9 Ų61.957%0.56733%0.333SS*.THydrogen-bonded Turntrans51.522-171.4-66.5-43.9000114.2A77 H83 V84A77-D81 PolarHBondContact O-N 3.41Å; D81-H83 PolarHBondContact O-N 3.21Å; D81-V84 PolarHBondContact O-N 3.39Å
82F74.3Confident84.9Confident143 Ų14368.9 Ų68.963%0.62736%0.361SS*.G310 helixtrans-58.7-29.2-173.9179.2-102000112.8A77 T80 V84 T85A77-F82 PolarHBondContact O-N 2.95Å; T80-F82 PolarHBondContact O-N 3.34Å; T80-F82 WeakPolarHBondContact OG1-CB 3.41Å; F82-V84 VanDerWaalsContact C-N 3.29Å; F82-V84 PolarHBondContact O-N 2.97Å; F82-T85 PolarHBondContact O-OG1 3.09Å; F82-T85 VanDerWaalsContact O-OG1 3.14Å
83H68.6Low84.6Confident54 Ų5469.8 Ų69.825%0.2536%0.362CS..G310 helixtrans-72.2-13.5-17664.8-78.6000114.9A77 D81 M90 W93A77-H83 PolarHBondContact O-ND1 3.46Å; A77-H83 VanDerWaalsContact O-ND1 3.09Å; D81-H83 PolarHBondContact O-N 3.21Å; H83-M90 WeakPolarHBondContact O-CG 3.25Å; H83-W93 HydrophobicContact CB-CB 4.23Å; H83-W93 VanDerWaalsContact CB-CD1 3.4Å; H83-W93 HydrophobicContact CB-CD2 3.76Å; H83-W93 HydrophobicContact CB-CG 3.52Å; H83-W93 AromaticContact CG-NE1 3.87Å
84V68.6Low84.4Confident80 Ų8064.9 Ų64.949%0.48534%0.338SS..G310 helixtrans-101.74.6-172.1-1640000112.8D81 F82 M90D81-V84 PolarHBondContact O-N 3.39Å; F82-V84 VanDerWaalsContact C-N 3.29Å; F82-V84 PolarHBondContact O-N 2.97Å; V84-M90 HydrophobicContact CB-CE 4.39Å; V84-M90 HydrophobicContact CG1-CE 3.84Å; V84-M90 WeakPolarHBondContact O-CE 3.34Å
85T69.9Low84.4Confident96 Ų9666.8 Ų66.859%0.58935%0.347SS*.SBendtrans-77.6-33.1-165.352.10000115.1F82F82-T85 PolarHBondContact O-OG1 3.09Å; F82-T85 VanDerWaalsContact O-OG1 3.14Å
86T79.3Confident84.4Confident61 Ų6168.5 Ų68.537%0.37436%0.355SS..  trans-151.7152-177.854.10000111T88 G89 M90T86-T88 VanDerWaalsContact C-N 3.26Å; T86-T88 PolarHBondContact O-N 3.35Å; T86-T88 PolarHBondContact OG1-OG1 3.39Å; T86-G89 PolarHBondContact O-N 2.82Å; T86-G89 VanDerWaalsContact O-N 3.1Å; T86-G89 PolarHBondContact OG1-N 3.33Å; T86-M90 WeakPolarHBondContact O-CG 3.47Å; T86-M90 PolarHBondContact O-N 3.3Å
87P79.6Confident84.5Confident43 Ų4366.6 Ų66.628%0.27935%0.349SS..Hα-helixtrans-57.3-38.4175.9-26.234.6000113.1M90 F91 Y186P87-M90 PolarHBondContact O-N 3.01Å; P87-F91 PolarHBondContact O-N 3.37Å; P87-Y186 WeakPolarHBondContact O-CD2 3.49Å
88T83.6Confident84.6Confident93 Ų9368.2 Ų68.257%0.57136%0.356SS*.Hα-helixtrans-66.5-42.717548.70000111.8T86 F91 Y92T86-T88 VanDerWaalsContact C-N 3.26Å; T86-T88 PolarHBondContact O-N 3.35Å; T86-T88 PolarHBondContact OG1-OG1 3.39Å; T88-F91 PolarHBondContact O-N 3.4Å; T88-Y92 WeakPolarHBondContact O-CD2 3.32Å; T88-Y92 PolarHBondContact O-N 3.3Å; T88-Y92 VanDerWaalsContact O-N 3.11Å
89G84.2Confident84.9Confident24 Ų2470.3 Ų70.325%0.24736%0.364CS..Hα-helixtrans-58.8-44.2173.100000112.6T86 F91 Y92 W93T86-G89 PolarHBondContact O-N 2.82Å; T86-G89 VanDerWaalsContact O-N 3.1Å; T86-G89 PolarHBondContact OG1-N 3.33Å; G89-F91 VanDerWaalsContact C-N 3.33Å; G89-F91 PolarHBondContact O-N 3.46Å; G89-Y92 PolarHBondContact O-N 2.93Å; G89-W93 VanDerWaalsContact O-CB 3.28Å; G89-W93 WeakPolarHBondContact O-CB 3.46Å; G89-W93 PolarHBondContact O-N 3.15Å
90M85.7Confident85.1Confident34 Ų3468.5 Ų68.517%0.16736%0.355CS..Hα-helixtrans-61-39.7175.8-69.1175.4-169.800112.1H83 V84 T86 P87 W93 A94 F185 Y186H83-M90 WeakPolarHBondContact O-CG 3.25Å; V84-M90 HydrophobicContact CB-CE 4.39Å; V84-M90 HydrophobicContact CG1-CE 3.84Å; V84-M90 WeakPolarHBondContact O-CE 3.34Å; T86-M90 WeakPolarHBondContact O-CG 3.47Å; T86-M90 PolarHBondContact O-N 3.3Å; P87-M90 PolarHBondContact O-N 3.01Å; M90-W93 WeakPolarHBondContact O-CB 3.16Å; M90-W93 PolarHBondContact O-N 3.37Å; M90-A94 WeakPolarHBondContact O-CB 3.19Å; M90-A94 PolarHBondContact O-N 3.04Å; M90-F185 HydrophobicContact SD-CB 3.57Å; M90-F185 VanDerWaalsContact SD-CB 3.57Å; M90-Y186 HydrophobicContact CB-CD2 4.42Å
91F88.3Confident85.4Confident77 Ų7766.8 Ų66.834%0.33835%0.346SS..Hα-helixtrans-64-50.5176.9-179.4-105.3000112.2P87 T88 G89 W93 A94 I95 I166 Y186P87-F91 PolarHBondContact O-N 3.37Å; T88-F91 PolarHBondContact O-N 3.4Å; G89-F91 VanDerWaalsContact C-N 3.33Å; G89-F91 PolarHBondContact O-N 3.46Å; F91-W93 PolarHBondContact O-N 2.91Å; F91-A94 PolarHBondContact O-N 3.47Å; F91-I95 HydrophobicContact CD1-CD1 3.97Å; F91-I95 HydrophobicContact CE1-CD1 3.49Å; F91-I95 VanDerWaalsContact CE1-CD1 3.49Å; F91-I95 HydrophobicContact CE1-CG1 4.41Å; F91-I95 HydrophobicContact CZ-CD1 3.88Å; F91-I95 HydrophobicContact CZ-CG1 4.48Å; F91-I95 PolarHBondContact O-N 3.11Å; F91-I166 HydrophobicContact CD2-CG2 4.34Å; F91-I166 HydrophobicContact CE2-CD1 4.47Å; F91-I166 HydrophobicContact CE2-CG2 4.42Å; F91-Y186 HydrophobicContact CB-CD2 3.73Å; F91-Y186 HydrophobicContact CB-CE2 4.01Å; F91-Y186 HydrophobicContact CB-CG 4.01Å; F91-Y186 AromaticContact CD2-CD1 3.74Å; F91-Y186 HydrophobicContact CD2-CD1 3.74Å; F91-Y186 HydrophobicContact CD2-CD2 4.41Å; F91-Y186 AromaticContact CD2-CE1 3.89Å; F91-Y186 HydrophobicContact CD2-CE1 3.89Å; F91-Y186 AromaticContact CD2-CG 3.99Å; F91-Y186 HydrophobicContact CD2-CG 3.99Å
92Y89.3Confident86.1Confident164 Ų16462.4 Ų62.464%0.64332%0.323SS*.Hα-helixtrans-62.7-33.6175.9-70.6-63.6000112.2T88 G89 I95 F96T88-Y92 WeakPolarHBondContact O-CD2 3.32Å; T88-Y92 PolarHBondContact O-N 3.3Å; T88-Y92 VanDerWaalsContact O-N 3.11Å; G89-Y92 PolarHBondContact O-N 2.93Å; Y92-I95 HydrophobicContact CD1-CD1 4.42Å; Y92-I95 PolarHBondContact O-N 3Å; Y92-F96 PolarHBondContact O-N 3.44Å
93W91.3Very high87.1Confident53 Ų5356.5 Ų56.520%0.20130%0.301CS..Hα-helixtrans-64.9-44.9173.2-174.3-111.8000112.2L74 A77 H83 G89 M90 F91 I95 F96 V97L74-W93 HydrophobicContact CD2-CH2 3.79Å; L74-W93 HydrophobicContact CD2-CZ2 3.56Å; A77-W93 HydrophobicContact CB-CE3 4.33Å; A77-W93 HydrophobicContact CB-CH2 3.05Å; A77-W93 HydrophobicContact CB-CZ2 3.42Å; A77-W93 VanDerWaalsContact CB-CZ2 3.42Å; A77-W93 HydrophobicContact CB-CZ3 3.56Å; H83-W93 HydrophobicContact CB-CB 4.23Å; H83-W93 VanDerWaalsContact CB-CD1 3.4Å; H83-W93 HydrophobicContact CB-CD2 3.76Å; H83-W93 HydrophobicContact CB-CG 3.52Å; H83-W93 AromaticContact CG-NE1 3.87Å; G89-W93 VanDerWaalsContact O-CB 3.28Å; G89-W93 WeakPolarHBondContact O-CB 3.46Å; G89-W93 PolarHBondContact O-N 3.15Å; M90-W93 WeakPolarHBondContact O-CB 3.16Å; M90-W93 PolarHBondContact O-N 3.37Å; F91-W93 PolarHBondContact O-N 2.91Å; W93-I95 VanDerWaalsContact C-N 3.27Å; W93-I95 PolarHBondContact O-N 3.09Å; W93-F96 HydrophobicContact CE3-CB 4.36Å; W93-F96 AromaticContact CE3-CD1 3.9Å; W93-F96 HydrophobicContact CE3-CD1 3.9Å; W93-F96 HydrophobicContact CE3-CG 4.44Å; W93-F96 AromaticContact CH2-CD1 3.65Å; W93-F96 HydrophobicContact CH2-CD1 3.65Å; W93-F96 AromaticContact CH2-CE1 3.81Å; W93-F96 HydrophobicContact CH2-CE1 3.81Å; W93-F96 HydrophobicContact CZ2-CD1 4.36Å; W93-F96 AromaticContact CZ3-CD1 3.39Å; W93-F96 HydrophobicContact CZ3-CD1 3.39Å; W93-F96 AromaticContact CZ3-CE1 3.87Å; W93-F96 HydrophobicContact CZ3-CE1 3.87Å; W93-F96 HydrophobicContact CZ3-CG 4.21Å; W93-F96 CarbonylContact O-C 3.6Å; W93-F96 WeakPolarHBondContact O-CA 3.44Å; W93-F96 WeakPolarHBondContact O-CB 3.4Å; W93-F96 PolarHBondContact O-N 2.79Å; W93-V97 HydrophobicContact CD2-CG2 4.33Å; W93-V97 HydrophobicContact CG-CG2 4.41Å; W93-V97 HydrophobicContact CZ2-CG2 4.21Å; W93-V97 WeakPolarHBondContact O-CG2 3.42Å; W93-V97 PolarHBondContact O-N 2.94Å
94A91.8Very high88.3Confident2 Ų254.8 Ų54.82%0.01730%0.295CS..Hα-helixtrans-61.1-36.9176.100000112M90 F91 L98 I166 T188M90-A94 WeakPolarHBondContact O-CB 3.19Å; M90-A94 PolarHBondContact O-N 3.04Å; F91-A94 PolarHBondContact O-N 3.47Å; A94-L98 WeakPolarHBondContact O-CB 3.23Å; A94-L98 PolarHBondContact O-N 3.2Å; A94-I166 HydrophobicContact CB-CD1 3.95Å; A94-I166 HydrophobicContact CB-CG1 4.02Å; A94-I166 HydrophobicContact CB-CG2 3.81Å; A94-T188 PolarHBondContact O-OG1 3.41Å
95I93.2Very high89.6Confident73 Ų7353.2 Ų53.237%0.37429%0.285SS..Hα-helixtrans-61.7-46.5170.6-66.2172.1000110.6F91 Y92 W93 L98 F99 I166F91-I95 HydrophobicContact CD1-CD1 3.97Å; F91-I95 HydrophobicContact CE1-CD1 3.49Å; F91-I95 VanDerWaalsContact CE1-CD1 3.49Å; F91-I95 HydrophobicContact CE1-CG1 4.41Å; F91-I95 HydrophobicContact CZ-CD1 3.88Å; F91-I95 HydrophobicContact CZ-CG1 4.48Å; F91-I95 PolarHBondContact O-N 3.11Å; Y92-I95 HydrophobicContact CD1-CD1 4.42Å; Y92-I95 PolarHBondContact O-N 3Å; W93-I95 VanDerWaalsContact C-N 3.27Å; W93-I95 PolarHBondContact O-N 3.09Å; I95-L98 PolarHBondContact O-N 3.26Å; I95-F99 WeakPolarHBondContact O-CB 3.09Å; I95-F99 PolarHBondContact O-N 3.33Å; I95-I166 HydrophobicContact CB-CD1 4.33Å; I95-I166 HydrophobicContact CG1-CD1 3.5Å; I95-I166 VanDerWaalsContact CG1-CD1 3.5Å
96F94Very high90.9Very high38 Ų3849 Ų4917%0.16726%0.259CS..Hα-helixtrans-63-43.8178.7176.2-100.4000112.4M73 L74 Y92 W93 L98 F99 H100M73-F96 HydrophobicContact CB-CE1 4.04Å; M73-F96 HydrophobicContact CB-CE2 4.47Å; M73-F96 HydrophobicContact CB-CZ 3.61Å; M73-F96 HydrophobicContact CG-CZ 4.44Å; M73-F96 HydrophobicContact SD-CE2 4.08Å; M73-F96 HydrophobicContact SD-CZ 4.09Å; L74-F96 HydrophobicContact CD2-CD1 4.02Å; L74-F96 HydrophobicContact CD2-CE1 3.67Å; L74-F96 HydrophobicContact CG-CE1 3.97Å; Y92-F96 PolarHBondContact O-N 3.44Å; W93-F96 HydrophobicContact CE3-CB 4.36Å; W93-F96 AromaticContact CE3-CD1 3.9Å; W93-F96 HydrophobicContact CE3-CD1 3.9Å; W93-F96 HydrophobicContact CE3-CG 4.44Å; W93-F96 AromaticContact CH2-CD1 3.65Å; W93-F96 HydrophobicContact CH2-CD1 3.65Å; W93-F96 AromaticContact CH2-CE1 3.81Å; W93-F96 HydrophobicContact CH2-CE1 3.81Å; W93-F96 HydrophobicContact CZ2-CD1 4.36Å; W93-F96 AromaticContact CZ3-CD1 3.39Å; W93-F96 HydrophobicContact CZ3-CD1 3.39Å; W93-F96 AromaticContact CZ3-CE1 3.87Å; W93-F96 HydrophobicContact CZ3-CE1 3.87Å; W93-F96 HydrophobicContact CZ3-CG 4.21Å; W93-F96 CarbonylContact O-C 3.6Å; W93-F96 WeakPolarHBondContact O-CA 3.44Å; W93-F96 WeakPolarHBondContact O-CB 3.4Å; W93-F96 PolarHBondContact O-N 2.79Å; F96-L98 VanDerWaalsContact C-N 3.32Å; F96-L98 PolarHBondContact O-N 2.95Å; F96-F99 PolarHBondContact O-N 3.46Å; F96-H100 HydrophobicContact CE1-CB 4.4Å; F96-H100 HydrophobicContact CZ-CB 4.38Å; F96-H100 WeakPolarHBondContact O-CB 3.26Å; F96-H100 PolarHBondContact O-N 3.03Å
97V93.6Very high91.7Very high40 Ų4047.5 Ų47.524%0.24225%0.249CC..Hα-helixtrans-59.9-44.3176.3170.80000110.5L74 W93 H100 S101L74-V97 HydrophobicContact CD2-CG2 3.95Å; W93-V97 HydrophobicContact CD2-CG2 4.33Å; W93-V97 HydrophobicContact CG-CG2 4.41Å; W93-V97 HydrophobicContact CZ2-CG2 4.21Å; W93-V97 WeakPolarHBondContact O-CG2 3.42Å; W93-V97 PolarHBondContact O-N 2.94Å; V97-H100 PolarHBondContact O-N 2.93Å; V97-S101 VanDerWaalsContact O-CB 3.27Å; V97-S101 WeakPolarHBondContact O-CB 3.49Å; V97-S101 PolarHBondContact O-N 2.93Å
98L93.5Very high92.4Very high39 Ų3946.3 Ų46.320%0.20424%0.239CC..Hα-helixtrans-63.5-44.8176.3-174.964.5000111.5A94 I95 F96 N102 F164 T188A94-L98 WeakPolarHBondContact O-CB 3.23Å; A94-L98 PolarHBondContact O-N 3.2Å; I95-L98 PolarHBondContact O-N 3.26Å; F96-L98 VanDerWaalsContact C-N 3.32Å; F96-L98 PolarHBondContact O-N 2.95Å; L98-N102 WeakPolarHBondContact CD1-ND2 3.29Å; L98-N102 PolarHBondContact O-N 2.86Å; L98-N102 PolarHBondContact O-ND2 2.98Å; L98-F164 HydrophobicContact CD1-CB 3.51Å; L98-T188 HydrophobicContact CB-CG2 4.34Å; L98-T188 HydrophobicContact CD1-CG2 3.96Å
99F95Very high93Very high122 Ų12241.9 Ų41.954%0.53521%0.212SC..Hα-helixtrans-60.1-51.2175.3169.7-99000111.5T70 I95 F96 S101 N102 A103T70-F99 HydrophobicContact CG2-CE1 4.21Å; I95-F99 WeakPolarHBondContact O-CB 3.09Å; I95-F99 PolarHBondContact O-N 3.33Å; F96-F99 PolarHBondContact O-N 3.46Å; F99-S101 PolarHBondContact O-N 3.25Å; F99-N102 PolarHBondContact O-N 3.21Å; F99-A103 HydrophobicContact CE1-CB 4.44Å; F99-A103 HydrophobicContact CE2-CB 4.47Å; F99-A103 HydrophobicContact CZ-CB 4.29Å; F99-A103 WeakPolarHBondContact O-CB 3.45Å; F99-A103 PolarHBondContact O-N 3.28Å
100H95.1Very high93.7Very high12 Ų1240.9 Ų40.96%0.05620%0.201CC..Hα-helixtrans-57.9-49.3178.9168.979.1000111T70 Y71 L74 F96 V97 N102 A103 S104T70-H100 WeakPolarHBondContact CB-ND1 3.16Å; T70-H100 PolarHBondContact OG1-CE1 3.4Å; T70-H100 PolarHBondContact OG1-ND1 3.44Å; Y71-H100 AromaticContact CD2-CE1 3.63Å; Y71-H100 AromaticContact CD2-NE2 3.6Å; L74-H100 HydrophobicContact CD1-CB 4.47Å; L74-H100 WeakPolarHBondContact CD1-CD2 3.41Å; L74-H100 VanDerWaalsContact CD1-NE2 3.32Å; L74-H100 WeakPolarHBondContact CD1-NE2 3.2Å; F96-H100 HydrophobicContact CE1-CB 4.4Å; F96-H100 HydrophobicContact CZ-CB 4.38Å; F96-H100 WeakPolarHBondContact O-CB 3.26Å; F96-H100 PolarHBondContact O-N 3.03Å; V97-H100 PolarHBondContact O-N 2.93Å; H100-N102 VanDerWaalsContact C-N 3.31Å; H100-N102 PolarHBondContact O-N 3.35Å; H100-A103 PolarHBondContact O-N 3.24Å; H100-S104 VanDerWaalsContact O-CB 3.23Å; H100-S104 WeakPolarHBondContact O-CB 3.45Å; H100-S104 PolarHBondContact O-N 3.42Å; H100-S104 PolarHBondContact O-OG 3.25Å; H100-S104 VanDerWaalsContact O-OG 3.05Å
101S93.7Very high94.2Very high49 Ų4939.2 Ų39.234%0.34319%0.193SC..Hα-helixtrans-58.9-42.2-177.2-175.80000112V97 F99 S104 V105V97-S101 VanDerWaalsContact O-CB 3.27Å; V97-S101 WeakPolarHBondContact O-CB 3.49Å; V97-S101 PolarHBondContact O-N 2.93Å; F99-S101 PolarHBondContact O-N 3.25Å; S101-S104 PolarHBondContact O-OG 3.45Å; S101-S104 VanDerWaalsContact O-OG 3.05Å; S101-V105 VanDerWaalsContact O-CG2 3.25Å; S101-V105 WeakPolarHBondContact O-CG2 3.48Å; S101-V105 PolarHBondContact O-N 3.42Å
102N94.6Very high94.5Very high14 Ų1435.6 Ų35.68%0.07518%0.177CC..Hα-helixtrans-77.2-42.7179.5-70.7-65.6000111.6L98 F99 H100 S104 V105 V106 M161L98-N102 WeakPolarHBondContact CD1-ND2 3.29Å; L98-N102 PolarHBondContact O-N 2.86Å; L98-N102 PolarHBondContact O-ND2 2.98Å; F99-N102 PolarHBondContact O-N 3.21Å; H100-N102 VanDerWaalsContact C-N 3.31Å; H100-N102 PolarHBondContact O-N 3.35Å; N102-S104 VanDerWaalsContact C-N 3.32Å; N102-S104 PolarHBondContact O-N 3Å; N102-V105 PolarHBondContact O-N 3.35Å; N102-V106 WeakPolarHBondContact O-CG2 3.48Å; N102-V106 PolarHBondContact O-N 3.12Å; N102-M161 HydrophobicContact CB-CE 4.13Å; N102-M161 HydrophobicContact CB-CG 4.05Å; N102-M161 HydrophobicContact CB-SD 4.34Å; N102-M161 WeakPolarHBondContact OD1-CA 3.3Å; N102-M161 WeakPolarHBondContact OD1-CG 3.34Å
103A95.7Very high94.9Very high19 Ų1930.8 Ų30.816%0.15716%0.158CC..Hα-helixtrans-61.1-41177.200000111.8F99 H100 V106 L107F99-A103 HydrophobicContact CE1-CB 4.44Å; F99-A103 HydrophobicContact CE2-CB 4.47Å; F99-A103 HydrophobicContact CZ-CB 4.29Å; F99-A103 WeakPolarHBondContact O-CB 3.45Å; F99-A103 PolarHBondContact O-N 3.28Å; H100-A103 PolarHBondContact O-N 3.24Å; A103-V106 PolarHBondContact O-N 2.9Å; A103-L107 VanDerWaalsContact O-CB 3.23Å; A103-L107 WeakPolarHBondContact O-CB 3.24Å; A103-L107 WeakPolarHBondContact O-CD1 3.37Å; A103-L107 WeakPolarHBondContact O-CG 3.33Å; A103-L107 PolarHBondContact O-N 3.2Å
104S95.4Very high95.2Very high18 Ų1828.3 Ų28.313%0.12615%0.149CC..Hα-helixtrans-65.6-43.7179.468.10000111.6H100 S101 N102 L107 H108H100-S104 VanDerWaalsContact O-CB 3.23Å; H100-S104 WeakPolarHBondContact O-CB 3.45Å; H100-S104 PolarHBondContact O-N 3.42Å; H100-S104 PolarHBondContact O-OG 3.25Å; H100-S104 VanDerWaalsContact O-OG 3.05Å; S101-S104 PolarHBondContact O-OG 3.45Å; S101-S104 VanDerWaalsContact O-OG 3.05Å; N102-S104 VanDerWaalsContact C-N 3.32Å; N102-S104 PolarHBondContact O-N 3Å; S104-L107 PolarHBondContact O-N 3.06Å; S104-H108 VanDerWaalsContact O-CB 3.29Å; S104-H108 WeakPolarHBondContact O-CB 3.29Å; S104-H108 PolarHBondContact O-CD2 2.82Å; S104-H108 VanDerWaalsContact O-CD2 3.24Å; S104-H108 PolarHBondContact O-N 3.02Å
105V94.4Very high95.3Very high46 Ų4628.6 Ų28.628%0.27915%0.15SC..Hα-helixtrans-57.9-52.3174.5170.60000110.7S101 N102 L107 A109 F213S101-V105 VanDerWaalsContact O-CG2 3.25Å; S101-V105 WeakPolarHBondContact O-CG2 3.48Å; S101-V105 PolarHBondContact O-N 3.42Å; N102-V105 PolarHBondContact O-N 3.35Å; V105-L107 PolarHBondContact O-N 2.92Å; V105-A109 WeakPolarHBondContact O-CB 3.28Å; V105-A109 PolarHBondContact O-N 3.29Å; V105-F213 HydrophobicContact CG1-CD2 3.89Å; V105-F213 HydrophobicContact CG1-CE2 3.99Å
106V96.8Very high95.5Very high7 Ų725.9 Ų25.94%0.04214%0.137CC..Hα-helixtrans-61.1-46-179.8170.50000111.8N102 A103 T110 L150 I153 F154 D157 M161N102-V106 WeakPolarHBondContact O-CG2 3.48Å; N102-V106 PolarHBondContact O-N 3.12Å; A103-V106 PolarHBondContact O-N 2.9Å; V106-T110 VanDerWaalsContact O-CB 3.28Å; V106-T110 WeakPolarHBondContact O-CB 3.45Å; V106-T110 PolarHBondContact O-N 2.72Å; V106-T110 PolarHBondContact O-OG1 3.43Å; V106-L150 HydrophobicContact CG1-CD1 3.92Å; V106-I153 HydrophobicContact CB-CG2 4.46Å; V106-I153 HydrophobicContact CG1-CG2 4.13Å; V106-F154 HydrophobicContact CG1-CB 4.32Å; V106-F154 HydrophobicContact CG2-CD2 4.47Å; V106-D157 HydrophobicContact CG2-CB 3.77Å; V106-D157 WeakPolarHBondContact CG2-OD2 3.49Å; V106-M161 HydrophobicContact CG2-CE 3.74Å
107L97.2Very high95.6Very high30 Ų3025.1 Ų25.116%0.15713%0.134CC..Hα-helixtrans-71.7-40.6-176.1-69.7169.6000112.3C63 C66 V67 A103 S104 V105 T110 S111C63-L107 HydrophobicContact CB-CB 4.38Å; C63-L107 HydrophobicContact CB-CD2 4.27Å; C66-L107 HydrophobicContact CB-CD1 3.57Å; V67-L107 HydrophobicContact CG2-CB 3.55Å; V67-L107 HydrophobicContact CG2-CD1 4.05Å; V67-L107 HydrophobicContact CG2-CG 4.48Å; A103-L107 VanDerWaalsContact O-CB 3.23Å; A103-L107 WeakPolarHBondContact O-CB 3.24Å; A103-L107 WeakPolarHBondContact O-CD1 3.37Å; A103-L107 WeakPolarHBondContact O-CG 3.33Å; A103-L107 PolarHBondContact O-N 3.2Å; S104-L107 PolarHBondContact O-N 3.06Å; V105-L107 PolarHBondContact O-N 2.92Å; L107-T110 PolarHBondContact O-N 2.88Å; L107-S111 PolarHBondContact O-N 3.26Å
108H95Very high95.6Very high19 Ų1923.3 Ų23.39%0.08812%0.124CC..Hα-helixtrans-63.1-48.3172.9-84-61.3000111.4V67 S104 T110 S111 I112V67-H108 VanDerWaalsContact CG1-NE2 3.26Å; V67-H108 WeakPolarHBondContact CG1-NE2 3.25Å; S104-H108 VanDerWaalsContact O-CB 3.29Å; S104-H108 WeakPolarHBondContact O-CB 3.29Å; S104-H108 PolarHBondContact O-CD2 2.82Å; S104-H108 VanDerWaalsContact O-CD2 3.24Å; S104-H108 PolarHBondContact O-N 3.02Å; H108-T110 PolarHBondContact O-N 3.17Å; H108-S111 WeakPolarHBondContact O-CB 3.47Å; H108-S111 PolarHBondContact O-N 2.74Å; H108-I112 VanDerWaalsContact O-CG1 3.3Å; H108-I112 WeakPolarHBondContact O-CG1 3.48Å; H108-I112 PolarHBondContact O-N 3.12Å
109A96.2Very high95.6Very high0 Ų021.8 Ų21.80%012%0.116CC..Hα-helixtrans-57.1-42.517600000111V105 I112 W113 I153 F213V105-A109 WeakPolarHBondContact O-CB 3.28Å; V105-A109 PolarHBondContact O-N 3.29Å; A109-I112 PolarHBondContact O-N 3.29Å; A109-W113 VanDerWaalsContact O-CD1 3.27Å; A109-W113 PolarHBondContact O-N 3.11Å; A109-I153 HydrophobicContact CB-CD1 4.27Å; A109-I153 HydrophobicContact CB-CG2 3.67Å; A109-F213 HydrophobicContact CB-CB 3.71Å; A109-F213 HydrophobicContact CB-CD1 3.96Å; A109-F213 HydrophobicContact CB-CD2 4.13Å; A109-F213 HydrophobicContact CB-CG 3.69Å
110T97.5Very high95.6Very high2 Ų218 Ų181%0.01211%0.105CC..Hα-helixtrans-61-48.6176.4-60.80000111.4V106 L107 H108 I112 W113 L114 I149 L150 I153V106-T110 VanDerWaalsContact O-CB 3.28Å; V106-T110 WeakPolarHBondContact O-CB 3.45Å; V106-T110 PolarHBondContact O-N 2.72Å; V106-T110 PolarHBondContact O-OG1 3.43Å; L107-T110 PolarHBondContact O-N 2.88Å; H108-T110 PolarHBondContact O-N 3.17Å; T110-I112 VanDerWaalsContact C-N 3.27Å; T110-I112 PolarHBondContact O-N 2.86Å; T110-W113 PolarHBondContact O-N 3Å; T110-L114 HydrophobicContact CG2-CD1 3.92Å; T110-L114 HydrophobicContact CG2-CG 4.12Å; T110-L114 WeakPolarHBondContact O-CB 3.45Å; T110-L114 WeakPolarHBondContact O-CG 3.22Å; T110-L114 PolarHBondContact O-N 3.33Å; T110-I149 HydrophobicContact CG2-CG2 4.36Å; T110-L150 HydrophobicContact CG2-CB 4.01Å; T110-L150 HydrophobicContact CG2-CD1 4.08Å; T110-L150 WeakPolarHBondContact OG1-CD1 3.07Å; T110-I153 VanDerWaalsContact CA-CD1 3.43Å
111S96.2Very high95.6Very high0 Ų017.9 Ų17.90%011%0.105CC..Hα-helixtrans-55.6-42177-170.10000112.4L107 H108 L114 T115L107-S111 PolarHBondContact O-N 3.26Å; H108-S111 WeakPolarHBondContact O-CB 3.47Å; H108-S111 PolarHBondContact O-N 2.74Å; S111-L114 PolarHBondContact O-N 3.26Å; S111-T115 PolarHBondContact O-N 3.36Å; S111-T115 VanDerWaalsContact O-N 3.11Å; S111-T115 PolarHBondContact O-OG1 3.42Å; S111-T115 VanDerWaalsContact O-OG1 3.12Å
112I95.2Very high95.5Very high1 Ų116.6 Ų16.61%0.0059%0.092CC..Hα-helixtrans-67.4-43.9177.4-66.8165.7000111.9H108 A109 T110 T115 V116 K214 P217 Q221 F268 E272H108-I112 VanDerWaalsContact O-CG1 3.3Å; H108-I112 WeakPolarHBondContact O-CG1 3.48Å; H108-I112 PolarHBondContact O-N 3.12Å; A109-I112 PolarHBondContact O-N 3.29Å; T110-I112 VanDerWaalsContact C-N 3.27Å; T110-I112 PolarHBondContact O-N 2.86Å; I112-T115 WeakPolarHBondContact CA-OG1 3.35Å; I112-T115 PolarHBondContact O-N 3.45Å; I112-T115 PolarHBondContact O-OG1 2.81Å; I112-V116 PolarHBondContact O-N 3.41Å; I112-K214 HydrophobicContact CD1-CD 3.73Å; I112-P217 HydrophobicContact CG2-CB 3.47Å; I112-P217 VanDerWaalsContact CG2-CB 3.47Å; I112-P217 HydrophobicContact CG2-CG 3.48Å; I112-P217 VanDerWaalsContact CG2-CG 3.48Å; I112-Q221 PolarHBondContact O-NE2 3.32Å; I112-F268 HydrophobicContact CG1-CD1 3.81Å; I112-F268 HydrophobicContact CG1-CE1 3.86Å; I112-E272 HydrophobicContact CD1-CB 4.08Å; I112-E272 HydrophobicContact CD1-CG 3.73Å; I112-E272 HydrophobicContact CG1-CG 4.2Å
113W97.6Very high95.5Very high63 Ų6316.2 Ų16.224%0.2399%0.091CC..Hα-helixtrans-72.3-29.7177.2-81.6101.6000112.8A109 T110 T115 V116 L117 I149 I153 L212 V216 P217 L220A109-W113 VanDerWaalsContact O-CD1 3.27Å; A109-W113 PolarHBondContact O-N 3.11Å; T110-W113 PolarHBondContact O-N 3Å; W113-T115 VanDerWaalsContact C-N 3.28Å; W113-T115 PolarHBondContact O-N 3.22Å; W113-V116 HydrophobicContact CE3-CB 4.22Å; W113-V116 HydrophobicContact CE3-CG1 4.32Å; W113-V116 HydrophobicContact CE3-CG2 4.14Å; W113-V116 HydrophobicContact CZ3-CG1 4.38Å; W113-V116 WeakPolarHBondContact O-CB 3.48Å; W113-V116 PolarHBondContact O-N 3.39Å; W113-L117 PolarHBondContact O-N 3.36Å; W113-I149 HydrophobicContact CB-CG2 3.57Å; W113-I153 HydrophobicContact CB-CD1 3.93Å; W113-I153 HydrophobicContact CG-CD1 3.98Å; W113-L212 WeakPolarHBondContact CZ2-O 3.28Å; W113-L212 PolarHBondContact NE1-O 3.44Å; W113-V216 HydrophobicContact CH2-CG1 4.02Å; W113-V216 HydrophobicContact CZ2-CG1 4.17Å; W113-P217 HydrophobicContact CD2-CB 4.17Å; W113-P217 HydrophobicContact CZ2-CB 4.19Å; W113-P217 HydrophobicContact CZ2-CG 4.29Å; W113-L220 HydrophobicContact CH2-CD1 3.81Å; W113-L220 HydrophobicContact CZ3-CD1 3.89Å
114L96.7Very high95.4Very high1 Ų119.5 Ų19.51%0.00510%0.099CC..Hα-helixtrans-63.9-34.8170.9-73.7177.6000111.9I56 A59 I60 T110 S111 L117 L118 S146 I149I56-L114 HydrophobicContact CG2-CB 3.98Å; I56-L114 HydrophobicContact CG2-CD2 4.28Å; I56-L114 WeakPolarHBondContact CG2-O 3.42Å; A59-L114 HydrophobicContact CB-CD1 3.78Å; I60-L114 HydrophobicContact CD1-CB 4.09Å; I60-L114 HydrophobicContact CG1-CB 3.73Å; I60-L114 HydrophobicContact CG1-CD1 3.96Å; T110-L114 HydrophobicContact CG2-CD1 3.92Å; T110-L114 HydrophobicContact CG2-CG 4.12Å; T110-L114 WeakPolarHBondContact O-CB 3.45Å; T110-L114 WeakPolarHBondContact O-CG 3.22Å; T110-L114 PolarHBondContact O-N 3.33Å; S111-L114 PolarHBondContact O-N 3.26Å; L114-L117 HydrophobicContact CD2-CD2 4.43Å; L114-L117 WeakPolarHBondContact O-CB 3.49Å; L114-L117 PolarHBondContact O-N 2.91Å; L114-L118 WeakPolarHBondContact O-CB 3.47Å; L114-L118 PolarHBondContact O-N 3.06Å; L114-S146 VanDerWaalsContact CD2-OG 3.25Å; L114-S146 WeakPolarHBondContact CD2-OG 3.43Å; L114-I149 HydrophobicContact CD2-CD1 4.2Å
115T94.8Very high95.2Very high7 Ų719 Ų194%0.04310%0.096CC..Hα-helixtrans-72.8-32.1174.240.90000112.9I60 S111 I112 W113 L118 A119 Q221 L264 F268I60-T115 HydrophobicContact CD1-CG2 3.5Å; I60-T115 HydrophobicContact CG1-CG2 4.5Å; S111-T115 PolarHBondContact O-N 3.36Å; S111-T115 VanDerWaalsContact O-N 3.11Å; S111-T115 PolarHBondContact O-OG1 3.42Å; S111-T115 VanDerWaalsContact O-OG1 3.12Å; I112-T115 WeakPolarHBondContact CA-OG1 3.35Å; I112-T115 PolarHBondContact O-N 3.45Å; I112-T115 PolarHBondContact O-OG1 2.81Å; W113-T115 VanDerWaalsContact C-N 3.28Å; W113-T115 PolarHBondContact O-N 3.22Å; T115-L118 PolarHBondContact O-N 2.97Å; T115-A119 WeakPolarHBondContact O-CB 3.38Å; T115-A119 PolarHBondContact O-N 2.92Å; T115-Q221 PolarHBondContact OG1-NE2 3.41Å; T115-L264 HydrophobicContact CG2-CD2 3.5Å; T115-L264 VanDerWaalsContact CG2-CD2 3.5Å; T115-L264 HydrophobicContact CG2-CG 4.05Å; T115-F268 HydrophobicContact CG2-CD2 4.06Å; T115-F268 HydrophobicContact CG2-CE2 3.46Å; T115-F268 VanDerWaalsContact CG2-CE2 3.46Å; T115-F268 HydrophobicContact CG2-CZ 4.03Å
116V96.5Very high95.1Very high16 Ų1616.9 Ų16.910%0.0978%0.083CC..Hα-helixtrans-59.3-50.3165.5177.40000110.5I112 W113 L118 A119 S120 P217 L220 Q221 L224I112-V116 PolarHBondContact O-N 3.41Å; W113-V116 HydrophobicContact CE3-CB 4.22Å; W113-V116 HydrophobicContact CE3-CG1 4.32Å; W113-V116 HydrophobicContact CE3-CG2 4.14Å; W113-V116 HydrophobicContact CZ3-CG1 4.38Å; W113-V116 WeakPolarHBondContact O-CB 3.48Å; W113-V116 PolarHBondContact O-N 3.39Å; V116-L118 VanDerWaalsContact C-N 3.28Å; V116-L118 PolarHBondContact O-N 3.38Å; V116-A119 PolarHBondContact O-N 2.86Å; V116-S120 WeakPolarHBondContact O-CB 3.47Å; V116-S120 PolarHBondContact O-N 2.99Å; V116-P217 HydrophobicContact CG2-CB 3.73Å; V116-L220 HydrophobicContact CG1-CB 4.41Å; V116-Q221 HydrophobicContact CB-CG 4.31Å; V116-Q221 HydrophobicContact CG2-CG 3.48Å; V116-Q221 VanDerWaalsContact CG2-CG 3.48Å; V116-L224 HydrophobicContact CG1-CD1 3.9Å
117L96.1Very high94.9Very high22 Ų2220.9 Ų20.912%0.11510%0.098CC..Hα-helixtrans-57.3-45.2178.4175.264.9000110.7I56 W113 L114 A119 S120 I121 Y145 I149I56-L117 HydrophobicContact CD1-CD2 3.83Å; I56-L117 HydrophobicContact CD1-CG 3.93Å; I56-L117 HydrophobicContact CG1-CD2 4.24Å; W113-L117 PolarHBondContact O-N 3.36Å; L114-L117 HydrophobicContact CD2-CD2 4.43Å; L114-L117 WeakPolarHBondContact O-CB 3.49Å; L114-L117 PolarHBondContact O-N 2.91Å; L117-A119 PolarHBondContact O-N 3.11Å; L117-S120 PolarHBondContact O-N 3.38Å; L117-S120 PolarHBondContact O-OG 3Å; L117-I121 HydrophobicContact CD1-CD1 3.96Å; L117-I121 HydrophobicContact CD1-CG1 4.22Å; L117-I121 HydrophobicContact CG-CD1 3.97Å; L117-I121 WeakPolarHBondContact O-CG1 3.23Å; L117-I121 PolarHBondContact O-N 3.48Å; L117-Y145 HydrophobicContact CD1-CD2 4.26Å; L117-Y145 HydrophobicContact CD1-CG 4.45Å; L117-I149 HydrophobicContact CB-CD1 3.87Å; L117-I149 HydrophobicContact CD2-CD1 3.8Å; L117-I149 HydrophobicContact CG-CD1 4.33Å
118L94.5Very high94.6Very high3 Ų323.7 Ų23.72%0.01611%0.106CC..Hα-helixtrans-59.6-48.6178.4-168.5157.7000111.5I53 I56 L57 L114 T115 V116 S120 I121 R122 L261I53-L118 HydrophobicContact CG2-CD1 3.97Å; I53-L118 HydrophobicContact CG2-CD2 4.44Å; I53-L118 HydrophobicContact CG2-CG 4.16Å; I56-L118 HydrophobicContact CB-CD1 4.46Å; I56-L118 HydrophobicContact CG2-CB 4.1Å; I56-L118 HydrophobicContact CG2-CD1 4.15Å; L57-L118 HydrophobicContact CD2-CD1 3.44Å; L57-L118 VanDerWaalsContact CD2-CD1 3.44Å; L57-L118 HydrophobicContact CG-CD1 3.77Å; L114-L118 WeakPolarHBondContact O-CB 3.47Å; L114-L118 PolarHBondContact O-N 3.06Å; T115-L118 PolarHBondContact O-N 2.97Å; V116-L118 VanDerWaalsContact C-N 3.28Å; V116-L118 PolarHBondContact O-N 3.38Å; L118-S120 VanDerWaalsContact C-N 3.32Å; L118-S120 PolarHBondContact O-N 3.09Å; L118-I121 PolarHBondContact O-N 3.49Å; L118-R122 HydrophobicContact CD2-CG 4.12Å; L118-R122 WeakPolarHBondContact O-CB 3.32Å; L118-R122 WeakPolarHBondContact O-CG 3.46Å; L118-R122 PolarHBondContact O-N 3.47Å; L118-L261 HydrophobicContact CD2-CD1 4.15Å; L118-L261 HydrophobicContact CD2-CD2 3.19Å; L118-L261 HydrophobicContact CD2-CG 4.28Å
119A94.6Very high94.3Very high6 Ų622.9 Ų22.95%0.0510%0.103CC..Hα-helixtrans-61.5-40.1176.700000111.8T115 V116 L117 R122 V123 L224 I225T115-A119 WeakPolarHBondContact O-CB 3.38Å; T115-A119 PolarHBondContact O-N 2.92Å; V116-A119 PolarHBondContact O-N 2.86Å; L117-A119 PolarHBondContact O-N 3.11Å; A119-R122 WeakPolarHBondContact O-CB 3.37Å; A119-R122 PolarHBondContact O-N 3.5Å; A119-V123 WeakPolarHBondContact O-CG2 3.35Å; A119-V123 PolarHBondContact O-N 2.97Å; A119-L224 HydrophobicContact CB-CB 3.87Å; A119-L224 HydrophobicContact CB-CD1 4.03Å; A119-I225 HydrophobicContact CB-CD1 4.45Å
120S94.8Very high94Very high43 Ų4323.4 Ų23.430%0.30111%0.105SC..Hα-helixtrans-64.2-45.4178.7780000112.5V116 L117 L118 R122 V123 Y124V116-S120 WeakPolarHBondContact O-CB 3.47Å; V116-S120 PolarHBondContact O-N 2.99Å; L117-S120 PolarHBondContact O-N 3.38Å; L117-S120 PolarHBondContact O-OG 3Å; L118-S120 VanDerWaalsContact C-N 3.32Å; L118-S120 PolarHBondContact O-N 3.09Å; S120-R122 VanDerWaalsContact C-N 3.26Å; S120-R122 PolarHBondContact O-N 3.48Å; S120-V123 PolarHBondContact O-N 3.3Å; S120-Y124 WeakPolarHBondContact O-CB 3.3Å; S120-Y124 PolarHBondContact O-N 3.42Å
121I93.9Very high93.6Very high10 Ų1031.9 Ų31.95%0.05114%0.137CC..Hα-helixtrans-60.4-41.9175.7-71.5171.5000109.4I56 L117 L118 Y124 S125 W135 C137I56-I121 HydrophobicContact CD1-CD1 3.48Å; I56-I121 VanDerWaalsContact CD1-CD1 3.48Å; L117-I121 HydrophobicContact CD1-CD1 3.96Å; L117-I121 HydrophobicContact CD1-CG1 4.22Å; L117-I121 HydrophobicContact CG-CD1 3.97Å; L117-I121 WeakPolarHBondContact O-CG1 3.23Å; L117-I121 PolarHBondContact O-N 3.48Å; L118-I121 PolarHBondContact O-N 3.49Å; I121-Y124 PolarHBondContact O-N 2.89Å; I121-S125 VanDerWaalsContact O-CB 3.3Å; I121-S125 WeakPolarHBondContact O-CB 3.46Å; I121-S125 PolarHBondContact O-N 2.67Å; I121-S125 PolarHBondContact O-OG 3.35Å; I121-S125 VanDerWaalsContact O-OG 3.05Å; I121-W135 HydrophobicContact CG2-CZ3 4.46Å; I121-C137 HydrophobicContact CG2-CB 4.38Å
122R92.6Very high93Very high22 Ų2240.9 Ų40.98%0.08317%0.171CC..Hα-helixtrans-63.7-48.9178.5-71.1-76.7-164.7172.26.4112.3L118 A119 S120 Y124 S125 V126 L228 S257 L261L118-R122 HydrophobicContact CD2-CG 4.12Å; L118-R122 WeakPolarHBondContact O-CB 3.32Å; L118-R122 WeakPolarHBondContact O-CG 3.46Å; L118-R122 PolarHBondContact O-N 3.47Å; A119-R122 WeakPolarHBondContact O-CB 3.37Å; A119-R122 PolarHBondContact O-N 3.5Å; S120-R122 VanDerWaalsContact C-N 3.26Å; S120-R122 PolarHBondContact O-N 3.48Å; R122-Y124 VanDerWaalsContact C-N 3.3Å; R122-Y124 PolarHBondContact O-N 3.15Å; R122-S125 PolarHBondContact O-N 3.26Å; R122-V126 WeakPolarHBondContact O-CG2 3.37Å; R122-V126 PolarHBondContact O-N 2.84Å; R122-L228 HydrophobicContact CB-CD1 4.44Å; R122-L228 HydrophobicContact CB-CD2 4.42Å; R122-S257 PolarHBondContact NH1-OG 2.77Å; R122-S257 PolarHBondContact NH2-OG 3.2Å; R122-L261 HydrophobicContact CB-CD1 4.05Å; R122-L261 HydrophobicContact CG-CD1 3.63Å
123V94.5Very high92.4Very high6 Ų643.1 Ų43.14%0.03619%0.187CC..Hα-helixtrans-57-46.4175.4168.10000110.6A119 S120 V126 R127 L224 M227 L228 L231A119-V123 WeakPolarHBondContact O-CG2 3.35Å; A119-V123 PolarHBondContact O-N 2.97Å; S120-V123 PolarHBondContact O-N 3.3Å; V123-V126 PolarHBondContact O-N 2.99Å; V123-R127 VanDerWaalsContact O-CB 3.28Å; V123-R127 WeakPolarHBondContact O-CB 3.39Å; V123-R127 PolarHBondContact O-N 2.92Å; V123-L224 HydrophobicContact CG2-CB 4.5Å; V123-L224 HydrophobicContact CG2-CD2 4.35Å; V123-L224 VanDerWaalsContact CG2-O 3.28Å; V123-L224 WeakPolarHBondContact CG2-O 3.46Å; V123-M227 HydrophobicContact CG2-CB 4.43Å; V123-L228 HydrophobicContact CG2-CB 3.89Å; V123-L231 HydrophobicContact CG1-CD1 3.93Å
124Y93.2Very high91.6Very high87 Ų8743.8 Ų43.834%0.34120%0.195SC..Hα-helixtrans-64.4-46.3-179.9-173-103.1000112.4S120 I121 R122 V126 R127 R128 W135S120-Y124 WeakPolarHBondContact O-CB 3.3Å; S120-Y124 PolarHBondContact O-N 3.42Å; I121-Y124 PolarHBondContact O-N 2.89Å; R122-Y124 VanDerWaalsContact C-N 3.3Å; R122-Y124 PolarHBondContact O-N 3.15Å; Y124-V126 PolarHBondContact O-N 3.33Å; Y124-R127 PolarHBondContact O-N 3.24Å; Y124-R128 HydrophobicContact CD1-CG 4.3Å; Y124-R128 HydrophobicContact CE1-CG 3.91Å; Y124-R128 HydrophobicContact CE2-CG 4.34Å; Y124-R128 WeakPolarHBondContact O-CB 3.42Å; Y124-R128 WeakPolarHBondContact O-CG 3.41Å; Y124-R128 PolarHBondContact O-N 2.9Å; Y124-R128 PolarHBondContact OH-NE 3.24Å; Y124-R128 PolarHBondContact OH-NH2 3.45Å; Y124-W135 AromaticContact CD1-CD2 3.87Å; Y124-W135 HydrophobicContact CD1-CD2 3.87Å; Y124-W135 AromaticContact CD1-CE3 3.64Å; Y124-W135 HydrophobicContact CD1-CE3 3.64Å; Y124-W135 HydrophobicContact CD1-CG 4.46Å; Y124-W135 HydrophobicContact CD1-CH2 4.13Å; Y124-W135 HydrophobicContact CD1-CZ2 4.4Å; Y124-W135 AromaticContact CD1-CZ3 3.76Å; Y124-W135 HydrophobicContact CD1-CZ3 3.76Å; Y124-W135 HydrophobicContact CE1-CB 4.49Å; Y124-W135 AromaticContact CE1-CD2 3.52Å; Y124-W135 HydrophobicContact CE1-CD2 3.52Å; Y124-W135 AromaticContact CE1-CE2 3.69Å; Y124-W135 AromaticContact CE1-CE3 3.83Å; Y124-W135 HydrophobicContact CE1-CE3 3.83Å; Y124-W135 AromaticContact CE1-CG 3.81Å; Y124-W135 HydrophobicContact CE1-CG 3.81Å; Y124-W135 HydrophobicContact CE1-CH2 4.3Å; Y124-W135 HydrophobicContact CE1-CZ2 4.11Å; Y124-W135 HydrophobicContact CE1-CZ3 4.18Å
125S91.1Very high90.7Very high9 Ų947.8 Ų47.86%0.06321%0.21CC..Hα-helixtrans-59.4-46.2176.5-71.60000112.3I121 R122 R128 A129I121-S125 VanDerWaalsContact O-CB 3.3Å; I121-S125 WeakPolarHBondContact O-CB 3.46Å; I121-S125 PolarHBondContact O-N 2.67Å; I121-S125 PolarHBondContact O-OG 3.35Å; I121-S125 VanDerWaalsContact O-OG 3.05Å; R122-S125 PolarHBondContact O-N 3.26Å; S125-R128 PolarHBondContact O-N 2.93Å; S125-A129 WeakPolarHBondContact O-CB 3.4Å; S125-A129 PolarHBondContact O-N 2.93Å
126V91.8Very high89.7Confident0 Ų054.2 Ų54.20%024%0.239CC..Hα-helixtrans-65.3-44.3177.9175.80000110.9R122 V123 Y124 R128 A129 L130 L228 L231 L232 L251 Y254R122-V126 WeakPolarHBondContact O-CG2 3.37Å; R122-V126 PolarHBondContact O-N 2.84Å; V123-V126 PolarHBondContact O-N 2.99Å; Y124-V126 PolarHBondContact O-N 3.33Å; V126-R128 VanDerWaalsContact C-N 3.34Å; V126-R128 PolarHBondContact O-N 2.92Å; V126-A129 PolarHBondContact O-N 3.23Å; V126-L130 HydrophobicContact CG1-CD1 4.22Å; V126-L130 WeakPolarHBondContact O-CG 3.49Å; V126-L130 PolarHBondContact O-N 3.27Å; V126-L228 HydrophobicContact CB-CD1 4.39Å; V126-L228 HydrophobicContact CG2-CD1 3.81Å; V126-L231 HydrophobicContact CG1-CB 3.79Å; V126-L232 HydrophobicContact CG1-CD2 4.22Å; V126-L232 HydrophobicContact CG2-CD2 4.23Å; V126-L251 HydrophobicContact CG1-CD2 4.32Å; V126-Y254 HydrophobicContact CB-CD2 4.43Å; V126-Y254 HydrophobicContact CG2-CD2 3.58Å; V126-Y254 HydrophobicContact CG2-CE2 4.29Å; V126-Y254 HydrophobicContact CG2-CG 3.71Å
127R92.7Very high89Confident92 Ų9253.7 Ų53.735%0.34724%0.236SC..Hα-helixtrans-60.9-41.8178.1-177.8176.3-79.3148-8112V123 Y124 L130 R131 L231V123-R127 VanDerWaalsContact O-CB 3.28Å; V123-R127 WeakPolarHBondContact O-CB 3.39Å; V123-R127 PolarHBondContact O-N 2.92Å; Y124-R127 PolarHBondContact O-N 3.24Å; R127-L130 PolarHBondContact O-N 3.47Å; R127-R131 PolarHBondContact O-N 3.03Å; R127-L231 HydrophobicContact CB-CD1 4.06Å
128R91.1Very high88.8Confident89 Ų8954.9 Ų54.934%0.33625%0.249SC..Hα-helixtrans-65.9-44.7175.4-78.6-74-174.41750.2111.6Y124 S125 V126 L130 R131 R132 S133 W135Y124-R128 HydrophobicContact CD1-CG 4.3Å; Y124-R128 HydrophobicContact CE1-CG 3.91Å; Y124-R128 HydrophobicContact CE2-CG 4.34Å; Y124-R128 WeakPolarHBondContact O-CB 3.42Å; Y124-R128 WeakPolarHBondContact O-CG 3.41Å; Y124-R128 PolarHBondContact O-N 2.9Å; Y124-R128 PolarHBondContact OH-NE 3.24Å; Y124-R128 PolarHBondContact OH-NH2 3.45Å; S125-R128 PolarHBondContact O-N 2.93Å; V126-R128 VanDerWaalsContact C-N 3.34Å; V126-R128 PolarHBondContact O-N 2.92Å; R128-L130 VanDerWaalsContact C-N 3.29Å; R128-L130 PolarHBondContact O-N 3.42Å; R128-R131 CarbonylContact O-C 3.57Å; R128-R131 WeakPolarHBondContact O-CA 3.34Å; R128-R131 WeakPolarHBondContact O-CB 3.16Å; R128-R131 PolarHBondContact O-N 3.48Å; R128-R132 PolarHBondContact O-N 2.95Å; R128-S133 CarbonylContact C-O 3.4Å; R128-S133 WeakPolarHBondContact CB-O 3.08Å; R128-S133 PolarHBondContact O-N 2.99Å; R128-W135 HydrophobicContact CB-CB 3.96Å; R128-W135 HydrophobicContact CG-CB 3.95Å
129A89.4Confident88.7Confident2 Ų256.7 Ų56.72%0.01726%0.261CS..Hα-helixtrans-59.9-38.7175.700000112.1S125 V126 R131 R132 S133 V247 L251 Y254S125-A129 WeakPolarHBondContact O-CB 3.4Å; S125-A129 PolarHBondContact O-N 2.93Å; V126-A129 PolarHBondContact O-N 3.23Å; A129-R131 PolarHBondContact O-N 3.35Å; A129-R132 WeakPolarHBondContact O-CA 3.11Å; A129-R132 PolarHBondContact O-N 3.44Å; A129-S133 PolarHBondContact N-O 2.77Å; A129-V247 WeakPolarHBondContact O-CG1 3.29Å; A129-L251 HydrophobicContact CB-CD2 3.66Å; A129-L251 HydrophobicContact CB-CG 4.16Å; A129-Y254 HydrophobicContact CB-CE2 4.05Å
130L89.4Confident88.6Confident11 Ų1166.4 Ų66.46%0.05830%0.296CS..Hα-helixtrans-62-30172.7-76171.1000113.3V126 R127 R128 R132 L231 A235 R238 L251V126-L130 HydrophobicContact CG1-CD1 4.22Å; V126-L130 WeakPolarHBondContact O-CG 3.49Å; V126-L130 PolarHBondContact O-N 3.27Å; R127-L130 PolarHBondContact O-N 3.47Å; R128-L130 VanDerWaalsContact C-N 3.29Å; R128-L130 PolarHBondContact O-N 3.42Å; L130-R132 PolarHBondContact O-N 3.3Å; L130-L231 HydrophobicContact CD1-CB 4.08Å; L130-L231 HydrophobicContact CD1-CD2 3.89Å; L130-A235 HydrophobicContact CD2-CB 3.79Å; L130-R238 PolarHBondContact O-NH1 3.48Å; L130-L251 HydrophobicContact CD2-CD1 4.39Å; L130-L251 HydrophobicContact CD2-CD2 4.44Å; L130-L251 HydrophobicContact CG-CD2 4.33Å
131R89.3Confident88.6Confident179 Ų17965.6 Ų65.668%0.67529%0.29SS*.THydrogen-bonded Turntrans-85.716.6172.4-64.3-177.6-176.1-177.40.6113.1R127 R128 A129 S133R127-R131 PolarHBondContact O-N 3.03Å; R128-R131 CarbonylContact O-C 3.57Å; R128-R131 WeakPolarHBondContact O-CA 3.34Å; R128-R131 WeakPolarHBondContact O-CB 3.16Å; R128-R131 PolarHBondContact O-N 3.48Å; A129-R131 PolarHBondContact O-N 3.35Å; R131-S133 PolarHBondContact O-N 2.95Å
132R82.7Confident88.7Confident189 Ų18965.1 Ų65.171%0.71329%0.287SS*.THydrogen-bonded Turntrans58.823-177.6-60.1-179.9168.4167.2-4114.2R128 A129 L130R128-R132 PolarHBondContact O-N 2.95Å; A129-R132 WeakPolarHBondContact O-CA 3.11Å; A129-R132 PolarHBondContact O-N 3.44Å; L130-R132 PolarHBondContact O-N 3.3Å
133S83.7Confident88.9Confident48 Ų4866.2 Ų66.234%0.33630%0.301SS..  trans-112115.5177.6179.10000109.5R128 A129 R131 W135R128-S133 CarbonylContact C-O 3.4Å; R128-S133 WeakPolarHBondContact CB-O 3.08Å; R128-S133 PolarHBondContact O-N 2.99Å; A129-S133 PolarHBondContact N-O 2.77Å; R131-S133 PolarHBondContact O-N 2.95Å; S133-W135 PolarHBondContact O-N 3.32Å; S133-W135 VanDerWaalsContact O-N 3.12Å
134L79.2Confident89Confident77 Ų7774 Ų7440%0.40333%0.33SS..  trans-83.485.7177.1-70.6169.4000109.4H136 A246 V247L134-H136 PolarHBondContact O-ND1 3.44Å; L134-A246 HydrophobicContact CD1-CB 4.09Å; L134-V247 HydrophobicContact CD2-CG2 4.32Å; L134-V247 HydrophobicContact CG-CG2 4.23Å
135W78.8Confident89.3Confident85 Ų8576 Ų7632%0.32234%0.337SS..  trans-82.5134.4172.4-176.286.6000110.9I121 Y124 R128 S133 C137I121-W135 HydrophobicContact CG2-CZ3 4.46Å; Y124-W135 AromaticContact CD1-CD2 3.87Å; Y124-W135 HydrophobicContact CD1-CD2 3.87Å; Y124-W135 AromaticContact CD1-CE3 3.64Å; Y124-W135 HydrophobicContact CD1-CE3 3.64Å; Y124-W135 HydrophobicContact CD1-CG 4.46Å; Y124-W135 HydrophobicContact CD1-CH2 4.13Å; Y124-W135 HydrophobicContact CD1-CZ2 4.4Å; Y124-W135 AromaticContact CD1-CZ3 3.76Å; Y124-W135 HydrophobicContact CD1-CZ3 3.76Å; Y124-W135 HydrophobicContact CE1-CB 4.49Å; Y124-W135 AromaticContact CE1-CD2 3.52Å; Y124-W135 HydrophobicContact CE1-CD2 3.52Å; Y124-W135 AromaticContact CE1-CE2 3.69Å; Y124-W135 AromaticContact CE1-CE3 3.83Å; Y124-W135 HydrophobicContact CE1-CE3 3.83Å; Y124-W135 AromaticContact CE1-CG 3.81Å; Y124-W135 HydrophobicContact CE1-CG 3.81Å; Y124-W135 HydrophobicContact CE1-CH2 4.3Å; Y124-W135 HydrophobicContact CE1-CZ2 4.11Å; Y124-W135 HydrophobicContact CE1-CZ3 4.18Å; R128-W135 HydrophobicContact CB-CB 3.96Å; R128-W135 HydrophobicContact CG-CB 3.95Å; S133-W135 PolarHBondContact O-N 3.32Å; S133-W135 VanDerWaalsContact O-N 3.12Å; W135-C137 HydrophobicContact CE3-CB 4.43Å; W135-C137 HydrophobicContact CH2-CB 3.21Å; W135-C137 HydrophobicContact CZ2-CB 4.07Å; W135-C137 HydrophobicContact CZ3-CB 3.42Å; W135-C137 VanDerWaalsContact CZ3-CB 3.42Å; W135-C137 VanDerWaalsContact CZ3-N 3.28Å
136H73.5Confident89.6Confident142 Ų14276 Ų7666%0.65734%0.338SS*.  trans-121119175.5-66.991.4000109.6L134 A138L134-H136 PolarHBondContact O-ND1 3.44Å; H136-A138 PolarHBondContact O-N 2.86Å
137C83Confident89.9Confident5 Ų581.4 Ų81.43%0.03437%0.366CS..  trans-66.9122.6164.1-165.30000107.2P52 I121 W135P52-C137 HydrophobicContact CB-CB 3.82Å; P52-C137 WeakPolarHBondContact CB-O 3.49Å; P52-C137 HydrophobicContact CG-CB 3.8Å; P52-C137 VanDerWaalsContact CG-O 3.25Å; P52-C137 WeakPolarHBondContact CG-O 3.45Å; I121-C137 HydrophobicContact CG2-CB 4.38Å; W135-C137 HydrophobicContact CE3-CB 4.43Å; W135-C137 HydrophobicContact CH2-CB 3.21Å; W135-C137 HydrophobicContact CZ2-CB 4.07Å; W135-C137 HydrophobicContact CZ3-CB 3.42Å; W135-C137 VanDerWaalsContact CZ3-CB 3.42Å; W135-C137 VanDerWaalsContact CZ3-N 3.28Å
138A90.8Very high90.2Very high47 Ų4778.7 Ų78.739%0.38837%0.367SS..  trans-63.7138.1172.400000109.4H136 R140 T141 A142H136-A138 PolarHBondContact O-N 2.86Å; A138-R140 PolarHBondContact O-N 3.4Å; A138-T141 WeakPolarHBondContact O-CA 3.48Å; A138-T141 WeakPolarHBondContact O-CB 3.38Å; A138-T141 PolarHBondContact O-N 3.04Å; A138-A142 PolarHBondContact O-N 2.9Å; A138-A142 VanDerWaalsContact O-N 3.12Å
139P92.2Very high90.5Very high41 Ų4176.1 Ų76.127%0.26636%0.359SS..Hα-helixtrans-58.5-33.7179.321-31.9000112.5K49 V55 T141 A142 A143K49-P139 WeakPolarHBondContact O-CB 3.45Å; V55-P139 HydrophobicContact CG2-CB 3.73Å; P139-T141 VanDerWaalsContact C-N 3.3Å; P139-T141 PolarHBondContact O-N 3.27Å; P139-A142 PolarHBondContact O-N 3.24Å; P139-A143 PolarHBondContact O-N 2.95Å
140R93.6Very high90.9Very high210 Ų21078.9 Ų78.979%0.79237%0.373SS*.Hα-helixtrans-63-35.1172.8-66.3-177.2179.8149-1.6112.9A138 R144A138-R140 PolarHBondContact O-N 3.4Å; R140-R144 WeakPolarHBondContact O-CG 3.48Å; R140-R144 PolarHBondContact O-N 3.45Å
141T94.8Very high91.4Very high27 Ų2781.2 Ų81.217%0.16639%0.391CS..Hα-helixtrans-71.3-39.8176.8-61.40000110.8A138 P139 A143 R144 Y145A138-T141 WeakPolarHBondContact O-CA 3.48Å; A138-T141 WeakPolarHBondContact O-CB 3.38Å; A138-T141 PolarHBondContact O-N 3.04Å; P139-T141 VanDerWaalsContact C-N 3.3Å; P139-T141 PolarHBondContact O-N 3.27Å; T141-A143 PolarHBondContact O-N 2.91Å; T141-R144 PolarHBondContact O-N 3.43Å; T141-R144 PolarHBondContact OG1-NH2 3.33Å; T141-Y145 HydrophobicContact CG2-CD2 3.97Å; T141-Y145 HydrophobicContact CG2-CE2 3.38Å; T141-Y145 VanDerWaalsContact O-CD2 3.32Å; T141-Y145 WeakPolarHBondContact O-CD2 3.47Å; T141-Y145 PolarHBondContact O-N 3.49Å
142A95.5Very high91.8Very high0 Ų076.9 Ų76.90%038%0.384CS..Hα-helixtrans-59.5-45.2172.100000111.9P52 V55 I56 A138 P139 R144 Y145 S146P52-A142 HydrophobicContact CB-CB 3.77Å; V55-A142 HydrophobicContact CB-CB 4.44Å; V55-A142 HydrophobicContact CG1-CB 4.46Å; I56-A142 HydrophobicContact CD1-CB 4.21Å; I56-A142 HydrophobicContact CG1-CB 4.13Å; A138-A142 PolarHBondContact O-N 2.9Å; A138-A142 VanDerWaalsContact O-N 3.12Å; P139-A142 PolarHBondContact O-N 3.24Å; A142-R144 PolarHBondContact O-N 3.28Å; A142-Y145 PolarHBondContact O-N 3.09Å; A142-S146 PolarHBondContact O-N 3.29Å; A142-S146 PolarHBondContact O-OG 2.98Å; A142-S146 VanDerWaalsContact O-OG 3.12Å
143A96.6Very high92.5Very high45 Ų4568.2 Ų68.237%0.37235%0.352SS..Hα-helixtrans-59.7-42.6175.400000112.8V55 P139 T141 S146 L147V55-A143 HydrophobicContact CG1-CB 3.91Å; P139-A143 PolarHBondContact O-N 2.95Å; T141-A143 PolarHBondContact O-N 2.91Å; A143-S146 PolarHBondContact O-N 3.12Å; A143-L147 PolarHBondContact O-N 2.9Å
144R97.6Very high93.1Very high169 Ų16971 Ų7164%0.63836%0.358SS*.Hα-helixtrans-62.7-42.1175.7-74.6-174.7-64.4161.50.8112.3R140 T141 A142 S146 L147 G148R140-R144 WeakPolarHBondContact O-CG 3.48Å; R140-R144 PolarHBondContact O-N 3.45Å; T141-R144 PolarHBondContact O-N 3.43Å; T141-R144 PolarHBondContact OG1-NH2 3.33Å; A142-R144 PolarHBondContact O-N 3.28Å; R144-S146 VanDerWaalsContact C-N 3.35Å; R144-L147 PolarHBondContact O-N 3.06Å; R144-G148 PolarHBondContact O-N 3.12Å
145Y97.6Very high93.9Very high128 Ų12872.9 Ų72.950%0.50237%0.368SS..Hα-helixtrans-64.6-40174.4-67.2-41.2000111.9L117 T141 A142 G148 I149L117-Y145 HydrophobicContact CD1-CD2 4.26Å; L117-Y145 HydrophobicContact CD1-CG 4.45Å; T141-Y145 HydrophobicContact CG2-CD2 3.97Å; T141-Y145 HydrophobicContact CG2-CE2 3.38Å; T141-Y145 VanDerWaalsContact O-CD2 3.32Å; T141-Y145 WeakPolarHBondContact O-CD2 3.47Å; T141-Y145 PolarHBondContact O-N 3.49Å; A142-Y145 PolarHBondContact O-N 3.09Å; Y145-G148 PolarHBondContact O-N 3.44Å; Y145-I149 VanDerWaalsContact O-CG1 3.32Å; Y145-I149 WeakPolarHBondContact O-CG1 3.41Å; Y145-I149 PolarHBondContact O-N 2.92Å
146S98.1Very high94.7Very high11 Ų1171.9 Ų71.98%0.07737%0.371CS..Hα-helixtrans-61.4-45.4175.9-62.50000112.4L114 A142 A143 R144 I149 L150L114-S146 VanDerWaalsContact CD2-OG 3.25Å; L114-S146 WeakPolarHBondContact CD2-OG 3.43Å; A142-S146 PolarHBondContact O-N 3.29Å; A142-S146 PolarHBondContact O-OG 2.98Å; A142-S146 VanDerWaalsContact O-OG 3.12Å; A143-S146 PolarHBondContact O-N 3.12Å; R144-S146 VanDerWaalsContact C-N 3.35Å; S146-I149 PolarHBondContact O-N 2.95Å; S146-L150 PolarHBondContact O-N 3.31Å; S146-L150 VanDerWaalsContact O-N 3.11Å
147L98Very high95.7Very high113 Ų11365.1 Ų65.159%0.59234%0.34SS*.Hα-helixtrans-64.5-42.3176.1-17563000111.5A143 R144 I149 L150 S151A143-L147 PolarHBondContact O-N 2.9Å; R144-L147 PolarHBondContact O-N 3.06Å; L147-I149 PolarHBondContact O-N 3.42Å; L147-L150 PolarHBondContact O-N 3.43Å; L147-S151 PolarHBondContact O-N 3Å; L147-S151 PolarHBondContact O-OG 3.44Å; L147-S151 VanDerWaalsContact O-OG 3.12Å
148G98.4Very high96.2Very high35 Ų3567.3 Ų67.336%0.36135%0.353SS..Hα-helixtrans-60.9-41.3176.100000113R144 Y145 S151 V152R144-G148 PolarHBondContact O-N 3.12Å; Y145-G148 PolarHBondContact O-N 3.44Å; G148-S151 PolarHBondContact O-N 2.98Å; G148-V152 VanDerWaalsContact O-CG2 3.3Å; G148-V152 WeakPolarHBondContact O-CG2 3.17Å; G148-V152 PolarHBondContact O-N 2.94Å
149I98.4Very high96.2Very high34 Ų3468.4 Ų68.417%0.17436%0.356CS..Hα-helixtrans-61.7-47.7175.2-73.3168.4000110.6T110 W113 L114 L117 Y145 S146 L147 S151 V152 I153T110-I149 HydrophobicContact CG2-CG2 4.36Å; W113-I149 HydrophobicContact CB-CG2 3.57Å; L114-I149 HydrophobicContact CD2-CD1 4.2Å; L117-I149 HydrophobicContact CB-CD1 3.87Å; L117-I149 HydrophobicContact CD2-CD1 3.8Å; L117-I149 HydrophobicContact CG-CD1 4.33Å; Y145-I149 VanDerWaalsContact O-CG1 3.32Å; Y145-I149 WeakPolarHBondContact O-CG1 3.41Å; Y145-I149 PolarHBondContact O-N 2.92Å; S146-I149 PolarHBondContact O-N 2.95Å; L147-I149 PolarHBondContact O-N 3.42Å; I149-S151 VanDerWaalsContact C-N 3.34Å; I149-S151 PolarHBondContact O-N 3.33Å; I149-V152 PolarHBondContact O-N 3.2Å; I149-I153 HydrophobicContact CG2-CD1 3.6Å; I149-I153 HydrophobicContact CG2-CG1 4.45Å; I149-I153 WeakPolarHBondContact O-CB 3.32Å; I149-I153 WeakPolarHBondContact O-CG1 3.31Å; I149-I153 PolarHBondContact O-N 3.31Å
150L98.4Very high96.1Very high60 Ų6066.7 Ų66.731%0.31435%0.345SS..Hα-helixtrans-58-46.4177.3176.362000111.3V106 T110 S146 L147 I153 F154V106-L150 HydrophobicContact CG1-CD1 3.92Å; T110-L150 HydrophobicContact CG2-CB 4.01Å; T110-L150 HydrophobicContact CG2-CD1 4.08Å; T110-L150 WeakPolarHBondContact OG1-CD1 3.07Å; S146-L150 PolarHBondContact O-N 3.31Å; S146-L150 VanDerWaalsContact O-N 3.11Å; L147-L150 PolarHBondContact O-N 3.43Å; L150-I153 PolarHBondContact O-N 3.02Å; L150-F154 WeakPolarHBondContact O-CB 3.37Å; L150-F154 PolarHBondContact O-N 3.31Å
151S98.2Very high95.9Very high60 Ų6058.9 Ų58.942%0.4232%0.318SS..Hα-helixtrans-62.6-43.4178.1-600000112.6L147 G148 I149 L155L147-S151 PolarHBondContact O-N 3Å; L147-S151 PolarHBondContact O-OG 3.44Å; L147-S151 VanDerWaalsContact O-OG 3.12Å; G148-S151 PolarHBondContact O-N 2.98Å; I149-S151 VanDerWaalsContact C-N 3.34Å; I149-S151 PolarHBondContact O-N 3.33Å; S151-L155 VanDerWaalsContact O-CG 3.27Å; S151-L155 WeakPolarHBondContact O-CG 3.3Å; S151-L155 PolarHBondContact O-N 3.45Å
152V98Very high95.7Very high89 Ų8963 Ų6354%0.53934%0.337SS..Hα-helixtrans-63.7-45.3178169.50000110.9G148 I149 L155 V156G148-V152 VanDerWaalsContact O-CG2 3.3Å; G148-V152 WeakPolarHBondContact O-CG2 3.17Å; G148-V152 PolarHBondContact O-N 2.94Å; I149-V152 PolarHBondContact O-N 3.2Å; V152-L155 PolarHBondContact O-N 2.94Å; V152-V156 HydrophobicContact CG1-CG2 4.32Å; V152-V156 VanDerWaalsContact O-CG2 3.26Å; V152-V156 WeakPolarHBondContact O-CG2 3.47Å; V152-V156 PolarHBondContact O-N 3.27Å
153I97.7Very high95.4Very high7 Ų763.1 Ų63.14%0.03634%0.338CS..Hα-helixtrans-64.8-44.1-179.8-70.7169.2000111.1V106 A109 T110 W113 I149 L150 L155 V156 D157 F213V106-I153 HydrophobicContact CB-CG2 4.46Å; V106-I153 HydrophobicContact CG1-CG2 4.13Å; A109-I153 HydrophobicContact CB-CD1 4.27Å; A109-I153 HydrophobicContact CB-CG2 3.67Å; T110-I153 VanDerWaalsContact CA-CD1 3.43Å; W113-I153 HydrophobicContact CB-CD1 3.93Å; W113-I153 HydrophobicContact CG-CD1 3.98Å; I149-I153 HydrophobicContact CG2-CD1 3.6Å; I149-I153 HydrophobicContact CG2-CG1 4.45Å; I149-I153 WeakPolarHBondContact O-CB 3.32Å; I149-I153 WeakPolarHBondContact O-CG1 3.31Å; I149-I153 PolarHBondContact O-N 3.31Å; L150-I153 PolarHBondContact O-N 3.02Å; I153-L155 VanDerWaalsContact C-N 3.3Å; I153-L155 PolarHBondContact O-N 3.26Å; I153-V156 PolarHBondContact O-N 3.3Å; I153-D157 WeakPolarHBondContact O-CB 3.18Å; I153-D157 PolarHBondContact O-N 2.58Å; I153-F213 HydrophobicContact CG2-CE1 4.16Å; I153-F213 HydrophobicContact CG2-CZ 4.27Å
154F96.8Very high95.1Very high105 Ų10562.9 Ų62.946%0.46133%0.329SS..Hα-helixtrans-56.2-46.1175.3179.9-96.1000111.5V106 L150 D157 V158 M161V106-F154 HydrophobicContact CG1-CB 4.32Å; V106-F154 HydrophobicContact CG2-CD2 4.47Å; L150-F154 WeakPolarHBondContact O-CB 3.37Å; L150-F154 PolarHBondContact O-N 3.31Å; F154-D157 PolarHBondContact O-N 3.35Å; F154-V158 WeakPolarHBondContact O-CG2 3.18Å; F154-V158 PolarHBondContact O-N 2.82Å; F154-M161 HydrophobicContact CD2-CE 3.9Å; F154-M161 HydrophobicContact CE2-CE 3.74Å; F154-M161 HydrophobicContact CE2-SD 4.31Å
155L96.2Very high94.9Very high118 Ų11857.8 Ų57.862%0.61832%0.317SS*.Hα-helixtrans-64.9-39.6177.7-70.4171.8000112.9S151 V152 I153 D157 V158S151-L155 VanDerWaalsContact O-CG 3.27Å; S151-L155 WeakPolarHBondContact O-CG 3.3Å; S151-L155 PolarHBondContact O-N 3.45Å; V152-L155 PolarHBondContact O-N 2.94Å; I153-L155 VanDerWaalsContact C-N 3.3Å; I153-L155 PolarHBondContact O-N 3.26Å; L155-D157 VanDerWaalsContact C-N 3.27Å; L155-D157 PolarHBondContact O-N 2.76Å; L155-V158 PolarHBondContact O-N 2.9Å
156V94.7Very high94.6Very high64 Ų6453.6 Ų53.639%0.38830%0.303SS..Hα-helixtrans-68.1-28.9177.7173.10000111.6V152 I153 P159 L212 F213V152-V156 HydrophobicContact CG1-CG2 4.32Å; V152-V156 VanDerWaalsContact O-CG2 3.26Å; V152-V156 WeakPolarHBondContact O-CG2 3.47Å; V152-V156 PolarHBondContact O-N 3.27Å; I153-V156 PolarHBondContact O-N 3.3Å; V156-P159 VanDerWaalsContact O-CD 3.29Å; V156-P159 WeakPolarHBondContact O-CD 3.33Å; V156-L212 HydrophobicContact CG1-CD1 4.18Å; V156-F213 HydrophobicContact CB-CE1 4.18Å; V156-F213 HydrophobicContact CB-CZ 4.11Å; V156-F213 HydrophobicContact CG1-CE1 3.7Å; V156-F213 HydrophobicContact CG1-CZ 3.68Å
157D95Very high94Very high0 Ų056.2 Ų56.20%031%0.314CS..Hα-helixtrans-83.7-14.1179.9-167.357000114V106 I153 F154 L155 P159 T160 M161 F213V106-D157 HydrophobicContact CG2-CB 3.77Å; V106-D157 WeakPolarHBondContact CG2-OD2 3.49Å; I153-D157 WeakPolarHBondContact O-CB 3.18Å; I153-D157 PolarHBondContact O-N 2.58Å; F154-D157 PolarHBondContact O-N 3.35Å; L155-D157 VanDerWaalsContact C-N 3.27Å; L155-D157 PolarHBondContact O-N 2.76Å; D157-P159 VanDerWaalsContact C-CD 3.41Å; D157-P159 VanDerWaalsContact C-N 3.33Å; D157-P159 VanDerWaalsContact O-N 3.17Å; D157-T160 WeakPolarHBondContact O-CA 3.29Å; D157-T160 WeakPolarHBondContact O-CB 3.33Å; D157-T160 PolarHBondContact O-N 3.3Å; D157-T160 PolarHBondContact O-OG1 3.35Å; D157-T160 WeakPolarHBondContact OD1-CB 3.41Å; D157-T160 PolarHBondContact OD1-OG1 3.49Å; D157-M161 HydrophobicContact CB-CE 4.24Å; D157-M161 WeakPolarHBondContact O-CG 3.36Å; D157-M161 PolarHBondContact O-N 3.18Å; D157-M161 VanDerWaalsContact OD2-CE 3.24Å; D157-M161 WeakPolarHBondContact OD2-CE 3.4Å; D157-F213 HydrophobicContact CB-CE2 4.09Å; D157-F213 HydrophobicContact CB-CZ 4.06Å
158V93.1Very high93.4Very high51 Ų5156.5 Ų56.531%0.30931%0.312SS..Hα-helixtrans-48.4-44.5179.2172.40000113.8F154 L155 T160 M161 I162F154-V158 WeakPolarHBondContact O-CG2 3.18Å; F154-V158 PolarHBondContact O-N 2.82Å; L155-V158 PolarHBondContact O-N 2.9Å; V158-T160 VanDerWaalsContact C-N 3.28Å; V158-T160 PolarHBondContact O-N 3.18Å; V158-M161 WeakPolarHBondContact O-CB 3.47Å; V158-M161 PolarHBondContact O-N 3.19Å; V158-M161 VanDerWaalsContact O-N 3.11Å; V158-I162 HydrophobicContact CG1-CD1 3.82Å; V158-I162 HydrophobicContact CG1-CG1 4.48Å; V158-I162 WeakPolarHBondContact O-CG1 3.3Å; V158-I162 PolarHBondContact O-N 2.91Å; V158-I162 VanDerWaalsContact O-N 3.11Å
159P90.4Very high92.6Very high69 Ų6959.3 Ų59.345%0.44831%0.312SS..Hα-helixtrans-60.6-35.8175.8-22.735.2000113.3V156 D157 S163 I205V156-P159 VanDerWaalsContact O-CD 3.29Å; V156-P159 WeakPolarHBondContact O-CD 3.33Å; D157-P159 VanDerWaalsContact C-CD 3.41Å; D157-P159 VanDerWaalsContact C-N 3.33Å; D157-P159 VanDerWaalsContact O-N 3.17Å; P159-S163 PolarHBondContact O-N 3.44Å; P159-S163 PolarHBondContact O-OG 3.18Å; P159-I205 HydrophobicContact CB-CD1 4.23Å
160T90.2Very high91.7Very high6 Ų664.9 Ų64.94%0.03733%0.331CS..Hα-helixtrans-61.3-47.3172.4-45.30000110.2D157 V158 I162 S163 F164 I205 N209D157-T160 WeakPolarHBondContact O-CA 3.29Å; D157-T160 WeakPolarHBondContact O-CB 3.33Å; D157-T160 PolarHBondContact O-N 3.3Å; D157-T160 PolarHBondContact O-OG1 3.35Å; D157-T160 WeakPolarHBondContact OD1-CB 3.41Å; D157-T160 PolarHBondContact OD1-OG1 3.49Å; V158-T160 VanDerWaalsContact C-N 3.28Å; V158-T160 PolarHBondContact O-N 3.18Å; T160-I162 VanDerWaalsContact C-N 3.3Å; T160-I162 PolarHBondContact O-N 3.01Å; T160-S163 WeakPolarHBondContact O-CB 3.31Å; T160-S163 PolarHBondContact O-N 3.44Å; T160-F164 HydrophobicContact CG2-CD2 4.39Å; T160-F164 HydrophobicContact CG2-CE2 3.88Å; T160-F164 VanDerWaalsContact O-CD2 3.28Å; T160-F164 WeakPolarHBondContact O-CD2 3.26Å; T160-I205 HydrophobicContact CG2-CG2 4Å; T160-N209 VanDerWaalsContact CG2-ND2 3.3Å; T160-N209 WeakPolarHBondContact CG2-ND2 3.44Å; T160-N209 PolarHBondContact OG1-ND2 3.22Å; T160-N209 PolarHBondContact OG1-OD1 2.78Å
161M91.2Very high90.4Very high46 Ų4665.1 Ų65.123%0.22734%0.337CS..Hα-helixtrans-58.9-42.1-178.2-54.1-167.6178.700112N102 V106 F154 D157 V158 S163N102-M161 HydrophobicContact CB-CE 4.13Å; N102-M161 HydrophobicContact CB-CG 4.05Å; N102-M161 HydrophobicContact CB-SD 4.34Å; N102-M161 WeakPolarHBondContact OD1-CA 3.3Å; N102-M161 WeakPolarHBondContact OD1-CG 3.34Å; V106-M161 HydrophobicContact CG2-CE 3.74Å; F154-M161 HydrophobicContact CD2-CE 3.9Å; F154-M161 HydrophobicContact CE2-CE 3.74Å; F154-M161 HydrophobicContact CE2-SD 4.31Å; D157-M161 HydrophobicContact CB-CE 4.24Å; D157-M161 WeakPolarHBondContact O-CG 3.36Å; D157-M161 PolarHBondContact O-N 3.18Å; D157-M161 VanDerWaalsContact OD2-CE 3.24Å; D157-M161 WeakPolarHBondContact OD2-CE 3.4Å; V158-M161 WeakPolarHBondContact O-CB 3.47Å; V158-M161 PolarHBondContact O-N 3.19Å; V158-M161 VanDerWaalsContact O-N 3.11Å; M161-S163 PolarHBondContact O-N 3.27Å
162I90Very high88.9Confident112 Ų11270.2 Ų70.257%0.57436%0.36SS*.Hα-helixtrans-70.6-22.4179-61.6165.2000111.7V158 T160 F164V158-I162 HydrophobicContact CG1-CD1 3.82Å; V158-I162 HydrophobicContact CG1-CG1 4.48Å; V158-I162 WeakPolarHBondContact O-CG1 3.3Å; V158-I162 PolarHBondContact O-N 2.91Å; V158-I162 VanDerWaalsContact O-N 3.11Å; T160-I162 VanDerWaalsContact C-N 3.3Å; T160-I162 PolarHBondContact O-N 3.01Å; I162-F164 PolarHBondContact O-N 3.32Å
163S88.8Confident86.8Confident3 Ų367.7 Ų67.72%0.02135%0.352CS..THydrogen-bonded Turntrans-76.3-11.3-177.5-63.20000113.9P159 T160 M161 S191 L201 I205P159-S163 PolarHBondContact O-N 3.44Å; P159-S163 PolarHBondContact O-OG 3.18Å; T160-S163 WeakPolarHBondContact O-CB 3.31Å; T160-S163 PolarHBondContact O-N 3.44Å; M161-S163 PolarHBondContact O-N 3.27Å; S163-S191 WeakPolarHBondContact CA-OG 3.48Å; S163-S191 WeakPolarHBondContact O-CB 3.35Å; S163-S191 PolarHBondContact O-N 3.15Å; S163-S191 PolarHBondContact O-OG 3.28Å; S163-L201 WeakPolarHBondContact OG-CD2 3.45Å; S163-I205 WeakPolarHBondContact OG-CD1 3.34Å
164F91Very high84.8Confident40 Ų4074.2 Ų74.218%0.17539%0.387CS..EExtended strand (participates in β ladder)trans-113.4137.8177.2-65.7-78.4000110.4L98 T160 I162 T189 I190 F206L98-F164 HydrophobicContact CD1-CB 3.51Å; T160-F164 HydrophobicContact CG2-CD2 4.39Å; T160-F164 HydrophobicContact CG2-CE2 3.88Å; T160-F164 VanDerWaalsContact O-CD2 3.28Å; T160-F164 WeakPolarHBondContact O-CD2 3.26Å; I162-F164 PolarHBondContact O-N 3.32Å; F164-T189 WeakPolarHBondContact CA-O 3.25Å; F164-I190 HydrophobicContact CD1-CG1 4.47Å; F164-I190 HydrophobicContact CE1-CG1 4.19Å; F164-F206 HydrophobicContact CE2-CE1 4.3Å; F164-F206 AromaticContact CZ-CE1 3.74Å; F164-F206 HydrophobicContact CZ-CE1 3.74Å; F164-F206 AromaticContact CZ-CZ 3.91Å; F164-F206 HydrophobicContact CZ-CZ 3.91Å
165T92.2Very high82.8Confident63 Ų6377.6 Ų77.639%0.38741%0.409SS..EExtended strand (participates in β ladder)trans-135.4168.3-180-167.20000110.6T188 T189T165-T188 CarbonylContact O-C 3.02Å; T165-T188 WeakPolarHBondContact O-CA 3.3Å; T165-T189 HydrophobicContact CG2-CG2 3.64Å; T165-T189 PolarHBondContact N-O 2.9Å; T165-T189 PolarHBondContact O-N 3.12Å
166I91.1Very high80.7Confident39 Ų3978 Ų7820%0.242%0.416CS..EExtended strand (participates in β ladder)trans-96.1125.6169.9-57.9172.5000107F91 A94 I95 Y186 M187F91-I166 HydrophobicContact CD2-CG2 4.34Å; F91-I166 HydrophobicContact CE2-CD1 4.47Å; F91-I166 HydrophobicContact CE2-CG2 4.42Å; A94-I166 HydrophobicContact CB-CD1 3.95Å; A94-I166 HydrophobicContact CB-CG1 4.02Å; A94-I166 HydrophobicContact CB-CG2 3.81Å; I95-I166 HydrophobicContact CB-CD1 4.33Å; I95-I166 HydrophobicContact CG1-CD1 3.5Å; I95-I166 VanDerWaalsContact CG1-CD1 3.5Å; I166-Y186 HydrophobicContact CG2-CD1 4.14Å; I166-M187 WeakPolarHBondContact CA-O 3.36Å
167E87.1Confident78.8Confident67 Ų6781.8 Ų81.831%0.31343%0.43SS..EExtended strand (participates in β ladder)trans-109.2137.8177.1-178-170.4161.100109.1R169 M187 T189E167-R169 VanDerWaalsContact CD-NE 3.33Å; E167-R169 HydrophobicContact CG-CG 4.23Å; E167-R169 IonicContact OE1-CZ 2.58Å; E167-R169 IonicContact OE1-NE 3.52Å; E167-R169 PolarHBondContact OE1-NE 3.01Å; E167-R169 IonicContact OE1-NH2 2.55Å; E167-R169 PolarHBondContact OE1-NH2 3.32Å; E167-R169 IonicContact OE2-CZ 2.77Å; E167-R169 IonicContact OE2-NE 3.64Å; E167-R169 PolarHBondContact OE2-NE 3.25Å; E167-R169 IonicContact OE2-NH2 2.87Å; E167-R169 PolarHBondContact OE2-NH2 2.82Å; E167-M187 PolarHBondContact N-O 2.97Å; E167-M187 PolarHBondContact O-N 3Å; E167-M187 VanDerWaalsContact O-N 3.1Å; E167-T189 HydrophobicContact CB-CG2 3.42Å; E167-T189 VanDerWaalsContact CB-CG2 3.42Å; E167-T189 HydrophobicContact CG-CG2 4.31Å; E167-T189 WeakPolarHBondContact OE2-CB 3.47Å; E167-T189 VanDerWaalsContact OE2-CG2 3.31Å; E167-T189 WeakPolarHBondContact OE2-CG2 3.17Å; E167-T189 PolarHBondContact OE2-OG1 3.08Å
168E85.1Confident76.7Confident118 Ų11886.3 Ų86.355%0.55147%0.467SS*.EExtended strand (participates in β ladder)trans-85.1131.6168.760.6177.6-152.600109.7L184 Y186E168-L184 HydrophobicContact CB-CD1 4.14Å; E168-Y186 HydrophobicContact CB-CD1 4.17Å; E168-Y186 HydrophobicContact CB-CE1 3.93Å
169R81.2Confident74.8Confident94 Ų9491.2 Ų91.236%0.35549%0.492SS..EExtended strand (participates in β ladder)trans-132.1153.5175.7-72.9-168.6178.9177.97111.1E167 F185E167-R169 VanDerWaalsContact CD-NE 3.33Å; E167-R169 HydrophobicContact CG-CG 4.23Å; E167-R169 IonicContact OE1-CZ 2.58Å; E167-R169 IonicContact OE1-NE 3.52Å; E167-R169 PolarHBondContact OE1-NE 3.01Å; E167-R169 IonicContact OE1-NH2 2.55Å; E167-R169 PolarHBondContact OE1-NH2 3.32Å; E167-R169 IonicContact OE2-CZ 2.77Å; E167-R169 IonicContact OE2-NE 3.64Å; E167-R169 PolarHBondContact OE2-NE 3.25Å; E167-R169 IonicContact OE2-NH2 2.87Å; E167-R169 PolarHBondContact OE2-NH2 2.82Å; R169-F185 HydrophobicContact CB-CD1 4.23Å; R169-F185 HydrophobicContact CB-CD2 4.11Å; R169-F185 HydrophobicContact CB-CE1 3.64Å; R169-F185 HydrophobicContact CB-CE2 3.52Å; R169-F185 HydrophobicContact CB-CG 4.45Å; R169-F185 HydrophobicContact CB-CZ 3.25Å; R169-F185 HydrophobicContact CG-CE2 4.3Å; R169-F185 HydrophobicContact CG-CZ 4.24Å; R169-F185 PolarHBondContact N-O 3.3Å; R169-F185 VanDerWaalsContact O-CD1 3.31Å; R169-F185 WeakPolarHBondContact O-CD1 3.39Å; R169-F185 PolarHBondContact O-N 2.71Å
170W78.9Confident73.2Confident152 Ų15292.7 Ų92.758%0.57650%0.496SS*.EExtended strand (participates in β ladder)trans-113131178.8-57.387.1000108.3D172 L184W170-D172 PolarHBondContact O-N 2.92Å; W170-L184 HydrophobicContact CD2-CD1 4.3Å; W170-L184 HydrophobicContact CE3-CB 4.36Å; W170-L184 HydrophobicContact CE3-CD1 4.48Å; W170-L184 HydrophobicContact CH2-CB 4.4Å; W170-L184 HydrophobicContact CH2-CD1 4.11Å; W170-L184 HydrophobicContact CZ2-CD1 3.89Å; W170-L184 HydrophobicContact CZ3-CB 4.08Å; W170-L184 HydrophobicContact CZ3-CD1 4.4Å
171S71.1Confident72Confident64 Ų6496.7 Ų96.745%0.44852%0.524SS..  trans-67.4128.6176.8-1760000110.7G173 R183S171-G173 PolarHBondContact O-N 3.11Å; S171-R183 PolarHBondContact N-O 3.03Å; S171-R183 VanDerWaalsContact N-O 3.12Å; S171-R183 VanDerWaalsContact O-CZ 3.31Å; S171-R183 PolarHBondContact O-NE 2.95Å; S171-R183 VanDerWaalsContact O-NE 3.08Å; S171-R183 PolarHBondContact O-NH2 3.08Å
172D66.9Low70.7Confident167 Ų16798.8 Ų98.889%0.89354%0.543SS*.  trans-73.664.9176.2-72.8-31.1000111.9W170W170-D172 PolarHBondContact O-N 2.92Å
173G54.3Low69.8Low36 Ų3696.7 Ų96.737%0.37153%0.528SS..  trans-76.5152.5162.700000112.5S171 L175 R183S171-G173 PolarHBondContact O-N 3.11Å; G173-L175 PolarHBondContact O-N 2.86Å; G173-R183 VanDerWaalsContact CA-NH2 3.25Å; G173-R183 PolarHBondContact O-NH2 3.46Å
174N55.7Low69.3Low145 Ų14597.8 Ų97.878%0.77553%0.533SS*.  trans-41.4135.5173.2-86.9-9.8000111.3T176N174-T176 PolarHBondContact O-N 3.49Å
175L53.9Low68.8Low175 Ų17599 Ų9992%0.91654%0.539SS*.THydrogen-bonded Turntrans-55.31.8-171.8-75.4148.7000116.3G173G173-L175 PolarHBondContact O-N 2.86Å
176T54Low68.4Low127 Ų12799 Ų9978%0.77953%0.532SS*.THydrogen-bonded Turntrans-87.1-12-170.2490000114.9N174N174-T176 PolarHBondContact O-N 3.49Å
177E53.5Low68.1Low144 Ų144100.2 Ų100.267%0.67354%0.538SS*.  trans-130.983.4-179.7-66.8-178.8-177.600110.7R183E177-R183 PolarHBondContact O-NH1 3.32Å
178A52.2Low68.1Low94 Ų9498.9 Ų98.978%0.77753%0.534SS*.  trans-84.5-1-167.300000115.7
179N52.9Low68.2Low155 Ų15594.3 Ų94.383%0.82952%0.515SS*.  trans-120.44.7-164.2-109.87.7000117.1S181N179-S181 PolarHBondContact O-N 2.72Å
180D57.1Low68.5Low100 Ų10090.7 Ų90.754%0.53550%0.502SS..  trans-92.4110.8-173.1-115.933.1000112S182 R183D180-S182 VanDerWaalsContact CG-OG 3.31Å; D180-S182 PolarHBondContact O-N 2.98Å; D180-S182 WeakPolarHBondContact OD2-CB 3.44Å; D180-S182 PolarHBondContact OD2-OG 3.3Å; D180-R183 PolarHBondContact O-N 3.11Å
181S63.7Low68.8Low89 Ų8984 Ų8462%0.62248%0.478SS*.G310 helixtrans-52-19.6168.2-55.70000112.3N179 R183 L184N179-S181 PolarHBondContact O-N 2.72Å; S181-R183 PolarHBondContact O-N 2.76Å; S181-R183 VanDerWaalsContact O-N 3.13Å; S181-L184 WeakPolarHBondContact O-CB 3.32Å; S181-L184 PolarHBondContact O-N 3.13Å; S181-L184 VanDerWaalsContact O-N 3.15Å
182S64.8Low69.3Low91 Ų9188.8 Ų88.864%0.63649%0.494SS*.G310 helixtrans-52.8-21.1169.5-390000114.2D180D180-S182 VanDerWaalsContact CG-OG 3.31Å; D180-S182 PolarHBondContact O-N 2.98Å; D180-S182 WeakPolarHBondContact OD2-CB 3.44Å; D180-S182 PolarHBondContact OD2-OG 3.3Å
183R70Confident70Confident67 Ų6785.8 Ų85.825%0.25348%0.476SS..G310 helixtrans-89.5-10.3-179.7-64.3174.870.8160.2-4.4114.3S171 G173 E177 D180 S181S171-R183 PolarHBondContact N-O 3.03Å; S171-R183 VanDerWaalsContact N-O 3.12Å; S171-R183 VanDerWaalsContact O-CZ 3.31Å; S171-R183 PolarHBondContact O-NE 2.95Å; S171-R183 VanDerWaalsContact O-NE 3.08Å; S171-R183 PolarHBondContact O-NH2 3.08Å; G173-R183 VanDerWaalsContact CA-NH2 3.25Å; G173-R183 PolarHBondContact O-NH2 3.46Å; E177-R183 PolarHBondContact O-NH1 3.32Å; D180-R183 PolarHBondContact O-N 3.11Å; S181-R183 PolarHBondContact O-N 2.76Å; S181-R183 VanDerWaalsContact O-N 3.13Å
184L78.3Confident71.2Confident26 Ų2684 Ų8414%0.13646%0.459CS..EExtended strand (participates in β ladder)trans-78.9123-179.3-179.466000110.1E168 W170 S181 Y186E168-L184 HydrophobicContact CB-CD1 4.14Å; W170-L184 HydrophobicContact CD2-CD1 4.3Å; W170-L184 HydrophobicContact CE3-CB 4.36Å; W170-L184 HydrophobicContact CE3-CD1 4.48Å; W170-L184 HydrophobicContact CH2-CB 4.4Å; W170-L184 HydrophobicContact CH2-CD1 4.11Å; W170-L184 HydrophobicContact CZ2-CD1 3.89Å; W170-L184 HydrophobicContact CZ3-CB 4.08Å; W170-L184 HydrophobicContact CZ3-CD1 4.4Å; S181-L184 WeakPolarHBondContact O-CB 3.32Å; S181-L184 PolarHBondContact O-N 3.13Å; S181-L184 VanDerWaalsContact O-N 3.15Å; L184-Y186 HydrophobicContact CD2-CE2 3.94Å; L184-Y186 HydrophobicContact CG-CE2 4.05Å
185F81Confident72.4Confident67 Ų6781.6 Ų81.629%0.29445%0.445SS..EExtended strand (participates in β ladder)trans-130.7149.9172.167.6-86.1000111.3M90 R169M90-F185 HydrophobicContact SD-CB 3.57Å; M90-F185 VanDerWaalsContact SD-CB 3.57Å; R169-F185 HydrophobicContact CB-CD1 4.23Å; R169-F185 HydrophobicContact CB-CD2 4.11Å; R169-F185 HydrophobicContact CB-CE1 3.64Å; R169-F185 HydrophobicContact CB-CE2 3.52Å; R169-F185 HydrophobicContact CB-CG 4.45Å; R169-F185 HydrophobicContact CB-CZ 3.25Å; R169-F185 HydrophobicContact CG-CE2 4.3Å; R169-F185 HydrophobicContact CG-CZ 4.24Å; R169-F185 PolarHBondContact N-O 3.3Å; R169-F185 VanDerWaalsContact O-CD1 3.31Å; R169-F185 WeakPolarHBondContact O-CD1 3.39Å; R169-F185 PolarHBondContact O-N 2.71Å
186Y84.3Confident73.7Confident61 Ų6179 Ų7924%0.23943%0.428CS..EExtended strand (participates in β ladder)trans-112134.1179.2-65.1-86.1000109.7P87 M90 F91 I166 E168 L184P87-Y186 WeakPolarHBondContact O-CD2 3.49Å; M90-Y186 HydrophobicContact CB-CD2 4.42Å; F91-Y186 HydrophobicContact CB-CD2 3.73Å; F91-Y186 HydrophobicContact CB-CE2 4.01Å; F91-Y186 HydrophobicContact CB-CG 4.01Å; F91-Y186 AromaticContact CD2-CD1 3.74Å; F91-Y186 HydrophobicContact CD2-CD1 3.74Å; F91-Y186 HydrophobicContact CD2-CD2 4.41Å; F91-Y186 AromaticContact CD2-CE1 3.89Å; F91-Y186 HydrophobicContact CD2-CE1 3.89Å; F91-Y186 AromaticContact CD2-CG 3.99Å; F91-Y186 HydrophobicContact CD2-CG 3.99Å; I166-Y186 HydrophobicContact CG2-CD1 4.14Å; E168-Y186 HydrophobicContact CB-CD1 4.17Å; E168-Y186 HydrophobicContact CB-CE1 3.93Å; L184-Y186 HydrophobicContact CD2-CE2 3.94Å; L184-Y186 HydrophobicContact CG-CE2 4.05Å
187M85.2Confident75Confident65 Ų6579.5 Ų79.532%0.3243%0.426SS..EExtended strand (participates in β ladder)trans-135.9151.9174.289.8173.7-15300112I166 E167 T189I166-M187 WeakPolarHBondContact CA-O 3.36Å; E167-M187 PolarHBondContact N-O 2.97Å; E167-M187 PolarHBondContact O-N 3Å; E167-M187 VanDerWaalsContact O-N 3.1Å; M187-T189 PolarHBondContact O-N 3.34Å
188T86.7Confident76.2Confident40 Ų4079.7 Ų79.725%0.24543%0.432CS..EExtended strand (participates in β ladder)trans-74.9122.9169.1-44.70000109.3A94 L98 T165A94-T188 PolarHBondContact O-OG1 3.41Å; L98-T188 HydrophobicContact CB-CG2 4.34Å; L98-T188 HydrophobicContact CD1-CG2 3.96Å; T165-T188 CarbonylContact O-C 3.02Å; T165-T188 WeakPolarHBondContact O-CA 3.3Å
189T87.2Confident77.6Confident22 Ų2275.6 Ų75.614%0.13540%0.399CS..EExtended strand (participates in β ladder)trans-127.4174.3-179.6-1630000110.9F164 T165 E167 M187F164-T189 WeakPolarHBondContact CA-O 3.25Å; T165-T189 HydrophobicContact CG2-CG2 3.64Å; T165-T189 PolarHBondContact N-O 2.9Å; T165-T189 PolarHBondContact O-N 3.12Å; E167-T189 HydrophobicContact CB-CG2 3.42Å; E167-T189 VanDerWaalsContact CB-CG2 3.42Å; E167-T189 HydrophobicContact CG-CG2 4.31Å; E167-T189 WeakPolarHBondContact OE2-CB 3.47Å; E167-T189 VanDerWaalsContact OE2-CG2 3.31Å; E167-T189 WeakPolarHBondContact OE2-CG2 3.17Å; E167-T189 PolarHBondContact OE2-OG1 3.08Å; M187-T189 PolarHBondContact O-N 3.34Å
190I86.2Confident79.1Confident18 Ų1874.1 Ų74.19%0.09239%0.385CS..EExtended strand (participates in β ladder)trans-78.8132.7169.6-59.9162000108.3F164 A194 L195 L202F164-I190 HydrophobicContact CD1-CG1 4.47Å; F164-I190 HydrophobicContact CE1-CG1 4.19Å; I190-A194 HydrophobicContact CG2-CB 3.58Å; I190-L195 HydrophobicContact CB-CD1 4.38Å; I190-L195 HydrophobicContact CB-CD2 4.33Å; I190-L195 HydrophobicContact CB-CG 4.2Å; I190-L195 HydrophobicContact CD1-CD2 4.28Å; I190-L195 HydrophobicContact CG2-CD1 4.47Å; I190-L195 HydrophobicContact CG2-CD2 4.04Å; I190-L195 HydrophobicContact CG2-CG 3.81Å; I190-L202 HydrophobicContact CD1-CD1 4.3Å; I190-L202 HydrophobicContact CD1-CD2 3.55Å; I190-L202 HydrophobicContact CG1-CD1 4.32Å; I190-L202 HydrophobicContact CG1-CD2 4.41Å; I190-L202 HydrophobicContact CG2-CD1 3.92Å; I190-L202 HydrophobicContact CG2-CD2 4.29Å
191S85.6Confident80.5Confident10 Ų1072.5 Ų72.57%0.0738%0.376CS..  trans-58.7148.8175.5660000112.3S163 I193 A194 L195S163-S191 WeakPolarHBondContact CA-OG 3.48Å; S163-S191 WeakPolarHBondContact O-CB 3.35Å; S163-S191 PolarHBondContact O-N 3.15Å; S163-S191 PolarHBondContact O-OG 3.28Å; S191-I193 PolarHBondContact O-N 3.29Å; S191-A194 PolarHBondContact O-N 3.07Å; S191-A194 WeakPolarHBondContact OG-CB 3.27Å; S191-A194 PolarHBondContact OG-N 3.34Å; S191-L195 PolarHBondContact O-N 2.98Å; S191-L195 VanDerWaalsContact O-N 3.17Å
192E82.8Confident81.6Confident166 Ų16669 Ų6978%0.77635%0.35SS*.Hα-helixtrans-56.8-39.2176-65.9-179.5-175.400111.8A194 L195 Q196E192-A194 PolarHBondContact O-N 3.43Å; E192-L195 PolarHBondContact O-N 2.91Å; E192-Q196 WeakPolarHBondContact O-CG 3.48Å; E192-Q196 PolarHBondContact O-N 3.41Å
193I81.2Confident82.6Confident103 Ų10368.8 Ų68.853%0.52834%0.338SS..Hα-helixtrans-57.4-39.6176.7-57.1167.2000110.9S191 L201S191-I193 PolarHBondContact O-N 3.29Å; I193-L201 HydrophobicContact CG2-CD1 4.48Å
194A80.1Confident83.5Confident0 Ų069 Ų690%034%0.343CS..Hα-helixtrans-77.3-22.2179.200000113.7I190 S191 E192 G199 L201 L202I190-A194 HydrophobicContact CG2-CB 3.58Å; S191-A194 PolarHBondContact O-N 3.07Å; S191-A194 WeakPolarHBondContact OG-CB 3.27Å; S191-A194 PolarHBondContact OG-N 3.34Å; E192-A194 PolarHBondContact O-N 3.43Å; A194-G199 WeakPolarHBondContact O-CA 3.49Å; A194-L201 HydrophobicContact CB-CD2 3.67Å; A194-L202 HydrophobicContact CB-CB 4.34Å; A194-L202 WeakPolarHBondContact O-CB 3.5Å; A194-L202 PolarHBondContact O-N 3.27Å
195L80.7Confident84.1Confident94 Ų9468.3 Ų68.349%0.49234%0.34SS..Hα-helixtrans-86.4-15.9176.3-69.7171.4000113.6I190 S191 E192 G199I190-L195 HydrophobicContact CB-CD1 4.38Å; I190-L195 HydrophobicContact CB-CD2 4.33Å; I190-L195 HydrophobicContact CB-CG 4.2Å; I190-L195 HydrophobicContact CD1-CD2 4.28Å; I190-L195 HydrophobicContact CG2-CD1 4.47Å; I190-L195 HydrophobicContact CG2-CD2 4.04Å; I190-L195 HydrophobicContact CG2-CG 3.81Å; S191-L195 PolarHBondContact O-N 2.98Å; S191-L195 VanDerWaalsContact O-N 3.17Å; E192-L195 PolarHBondContact O-N 2.91Å; L195-G199 PolarHBondContact O-N 3.4Å; L195-G199 VanDerWaalsContact O-N 3.15Å
196Q80.2Confident84.4Confident119 Ų11965.9 Ų65.956%0.55633%0.329SS*.Hα-helixtrans-57.4152.9175.2-75.8179.1-4.100112.6E192 D198 G199 F200E192-Q196 WeakPolarHBondContact O-CG 3.48Å; E192-Q196 PolarHBondContact O-N 3.41Å; Q196-D198 PolarHBondContact O-N 2.85Å; Q196-G199 PolarHBondContact O-N 3.38Å; Q196-G199 VanDerWaalsContact O-N 3.14Å; Q196-F200 PolarHBondContact O-N 3.36Å
197N82.4Confident84.7Confident139 Ų13966.9 Ų66.974%0.74333%0.332SS*.Hα-helixtrans50.157.1179.1-62.8-25000113G199 F200N197-G199 PolarHBondContact O-N 2.9Å; N197-F200 HydrophobicContact CB-CB 4.24Å; N197-F200 VanDerWaalsContact O-CB 3.25Å; N197-F200 WeakPolarHBondContact O-CB 3.3Å; N197-F200 PolarHBondContact O-N 3.13Å
198D78Confident84.9Confident147 Ų14768 Ų6879%0.78634%0.339SS*.Hα-helixtrans55.534.1-177.7-64-29.4000114.2Q196 F200 K203Q196-D198 PolarHBondContact O-N 2.85Å; D198-F200 VanDerWaalsContact C-N 3.29Å; D198-F200 PolarHBondContact O-N 3.15Å; D198-K203 WeakPolarHBondContact O-CE 3.09Å; D198-K203 PolarHBondContact O-NZ 3.45Å
199G81.4Confident85.1Confident8 Ų866.8 Ų66.88%0.08233%0.331CS..Hα-helixtrans64.530.5-177.200000113.7A194 L195 Q196 N197 L201 L202 K203A194-G199 WeakPolarHBondContact O-CA 3.49Å; L195-G199 PolarHBondContact O-N 3.4Å; L195-G199 VanDerWaalsContact O-N 3.15Å; Q196-G199 PolarHBondContact O-N 3.38Å; Q196-G199 VanDerWaalsContact O-N 3.14Å; N197-G199 PolarHBondContact O-N 2.9Å; G199-L201 VanDerWaalsContact C-N 3.32Å; G199-L201 PolarHBondContact O-N 3.17Å; G199-L202 WeakPolarHBondContact O-CB 3.44Å; G199-L202 PolarHBondContact O-N 3.33Å; G199-K203 WeakPolarHBondContact O-CB 3.49Å; G199-K203 WeakPolarHBondContact O-CG 3.43Å; G199-K203 PolarHBondContact O-N 2.88Å
200F84.7Confident85.4Confident125 Ų12565.8 Ų65.855%0.54833%0.325SS..Hα-helixtrans-56.4-44.1-177.7177.3-105.1000112.6Q196 N197 D198 K203 I204Q196-F200 PolarHBondContact O-N 3.36Å; N197-F200 HydrophobicContact CB-CB 4.24Å; N197-F200 VanDerWaalsContact O-CB 3.25Å; N197-F200 WeakPolarHBondContact O-CB 3.3Å; N197-F200 PolarHBondContact O-N 3.13Å; D198-F200 VanDerWaalsContact C-N 3.29Å; D198-F200 PolarHBondContact O-N 3.15Å; F200-K203 WeakPolarHBondContact O-CB 3.37Å; F200-K203 PolarHBondContact O-N 2.95Å; F200-I204 HydrophobicContact CD1-CD1 3.96Å; F200-I204 HydrophobicContact CD2-CD1 4.37Å; F200-I204 HydrophobicContact CE1-CD1 3.33Å; F200-I204 HydrophobicContact CE1-CG1 4.47Å; F200-I204 HydrophobicContact CE2-CD1 3.8Å; F200-I204 HydrophobicContact CE2-CG1 4.4Å; F200-I204 HydrophobicContact CG-CD1 4.46Å; F200-I204 HydrophobicContact CZ-CD1 3.25Å; F200-I204 HydrophobicContact CZ-CG1 4.3Å; F200-I204 PolarHBondContact O-N 3.33Å
201L86.1Confident85.7Confident66 Ų6667.3 Ų67.335%0.34633%0.333SS..Hα-helixtrans-64.1-45.5178.4-176.8142.8000111.2S163 I193 A194 G199 K203 I204 I205S163-L201 WeakPolarHBondContact OG-CD2 3.45Å; I193-L201 HydrophobicContact CG2-CD1 4.48Å; A194-L201 HydrophobicContact CB-CD2 3.67Å; G199-L201 VanDerWaalsContact C-N 3.32Å; G199-L201 PolarHBondContact O-N 3.17Å; L201-K203 VanDerWaalsContact C-N 3.34Å; L201-K203 PolarHBondContact O-N 2.89Å; L201-I204 PolarHBondContact O-N 3.49Å; L201-I205 HydrophobicContact CD2-CD1 3.36Å; L201-I205 HydrophobicContact CD2-CG1 4.44Å; L201-I205 HydrophobicContact CG-CD1 3.97Å; L201-I205 WeakPolarHBondContact O-CB 3.33Å; L201-I205 VanDerWaalsContact O-CG1 3.32Å; L201-I205 WeakPolarHBondContact O-CG1 3.47Å; L201-I205 PolarHBondContact O-N 3.35Å
202L86.1Confident86.1Confident14 Ų1470 Ų707%0.07335%0.346CS..Hα-helixtrans-58.3-45175.2-17473.2000112.1I190 A194 G199 I205 F206I190-L202 HydrophobicContact CD1-CD1 4.3Å; I190-L202 HydrophobicContact CD1-CD2 3.55Å; I190-L202 HydrophobicContact CG1-CD1 4.32Å; I190-L202 HydrophobicContact CG1-CD2 4.41Å; I190-L202 HydrophobicContact CG2-CD1 3.92Å; I190-L202 HydrophobicContact CG2-CD2 4.29Å; A194-L202 HydrophobicContact CB-CB 4.34Å; A194-L202 WeakPolarHBondContact O-CB 3.5Å; A194-L202 PolarHBondContact O-N 3.27Å; G199-L202 WeakPolarHBondContact O-CB 3.44Å; G199-L202 PolarHBondContact O-N 3.33Å; L202-I205 PolarHBondContact O-N 2.9Å; L202-F206 HydrophobicContact CD1-CD1 4.27Å; L202-F206 HydrophobicContact CD1-CE1 3.7Å; L202-F206 HydrophobicContact CD1-CE2 4.16Å; L202-F206 HydrophobicContact CD1-CZ 3.64Å; L202-F206 HydrophobicContact CD2-CE2 4.45Å; L202-F206 HydrophobicContact CG-CD2 4.43Å; L202-F206 HydrophobicContact CG-CE1 4.41Å; L202-F206 HydrophobicContact CG-CE2 4.19Å; L202-F206 HydrophobicContact CG-CZ 4.18Å; L202-F206 PolarHBondContact O-N 3.13Å
203K87.4Confident86.7Confident88 Ų8862.4 Ų62.438%0.38331%0.31SS..Hα-helixtrans-58.5-48.8178-78.3170.6-176.4159.90111.5D198 G199 F200 L201 W207 A283D198-K203 WeakPolarHBondContact O-CE 3.09Å; D198-K203 PolarHBondContact O-NZ 3.45Å; G199-K203 WeakPolarHBondContact O-CB 3.49Å; G199-K203 WeakPolarHBondContact O-CG 3.43Å; G199-K203 PolarHBondContact O-N 2.88Å; F200-K203 WeakPolarHBondContact O-CB 3.37Å; F200-K203 PolarHBondContact O-N 2.95Å; L201-K203 VanDerWaalsContact C-N 3.34Å; L201-K203 PolarHBondContact O-N 2.89Å; K203-W207 WeakPolarHBondContact O-CB 3.49Å; K203-W207 PolarHBondContact O-N 2.87Å; K203-A283 HydrophobicContact CB-CB 3.7Å; K203-A283 HydrophobicContact CD-CB 4.38Å; K203-A283 HydrophobicContact CG-CB 3.82Å
204I88.8Confident87.3Confident70 Ų7058.3 Ų58.336%0.35929%0.289SS..Hα-helixtrans-62.2-45178-74.4179.9000111F200 L201 W207 L208F200-I204 HydrophobicContact CD1-CD1 3.96Å; F200-I204 HydrophobicContact CD2-CD1 4.37Å; F200-I204 HydrophobicContact CE1-CD1 3.33Å; F200-I204 HydrophobicContact CE1-CG1 4.47Å; F200-I204 HydrophobicContact CE2-CD1 3.8Å; F200-I204 HydrophobicContact CE2-CG1 4.4Å; F200-I204 HydrophobicContact CG-CD1 4.46Å; F200-I204 HydrophobicContact CZ-CD1 3.25Å; F200-I204 HydrophobicContact CZ-CG1 4.3Å; F200-I204 PolarHBondContact O-N 3.33Å; L201-I204 PolarHBondContact O-N 3.49Å; I204-W207 WeakPolarHBondContact O-CB 3.49Å; I204-W207 PolarHBondContact O-N 3.21Å; I204-L208 HydrophobicContact CG2-CD1 3.7Å; I204-L208 HydrophobicContact CG2-CG 4.15Å; I204-L208 WeakPolarHBondContact O-CB 3.43Å; I204-L208 WeakPolarHBondContact O-CG 3.27Å; I204-L208 PolarHBondContact O-N 2.98Å
205I89.6Confident87.9Confident13 Ų1359.1 Ų59.17%0.06729%0.294CS..Hα-helixtrans-63.7-45.9-178.4-73.6174.1000111.2P159 T160 S163 L201 L202 W207 L208 N209P159-I205 HydrophobicContact CB-CD1 4.23Å; T160-I205 HydrophobicContact CG2-CG2 4Å; S163-I205 WeakPolarHBondContact OG-CD1 3.34Å; L201-I205 HydrophobicContact CD2-CD1 3.36Å; L201-I205 HydrophobicContact CD2-CG1 4.44Å; L201-I205 HydrophobicContact CG-CD1 3.97Å; L201-I205 WeakPolarHBondContact O-CB 3.33Å; L201-I205 VanDerWaalsContact O-CG1 3.32Å; L201-I205 WeakPolarHBondContact O-CG1 3.47Å; L201-I205 PolarHBondContact O-N 3.35Å; L202-I205 PolarHBondContact O-N 2.9Å; I205-W207 VanDerWaalsContact C-N 3.29Å; I205-W207 PolarHBondContact O-N 3.33Å; I205-L208 PolarHBondContact O-N 3.29Å; I205-N209 WeakPolarHBondContact O-CB 3.48Å; I205-N209 VanDerWaalsContact O-CG 3.3Å; I205-N209 PolarHBondContact O-N 2.83Å
206F88.8Confident88.6Confident15 Ų1556.9 Ų56.97%0.06628%0.284CS..Hα-helixtrans-63.6-37.7177-765.3000112.1F164 L202 G210 L279 T282F164-F206 HydrophobicContact CE2-CE1 4.3Å; F164-F206 AromaticContact CZ-CE1 3.74Å; F164-F206 HydrophobicContact CZ-CE1 3.74Å; F164-F206 AromaticContact CZ-CZ 3.91Å; F164-F206 HydrophobicContact CZ-CZ 3.91Å; L202-F206 HydrophobicContact CD1-CD1 4.27Å; L202-F206 HydrophobicContact CD1-CE1 3.7Å; L202-F206 HydrophobicContact CD1-CE2 4.16Å; L202-F206 HydrophobicContact CD1-CZ 3.64Å; L202-F206 HydrophobicContact CD2-CE2 4.45Å; L202-F206 HydrophobicContact CG-CD2 4.43Å; L202-F206 HydrophobicContact CG-CE1 4.41Å; L202-F206 HydrophobicContact CG-CE2 4.19Å; L202-F206 HydrophobicContact CG-CZ 4.18Å; L202-F206 PolarHBondContact O-N 3.13Å; F206-G210 PolarHBondContact O-N 3.5Å; F206-L279 HydrophobicContact CB-CD2 4.35Å; F206-L279 HydrophobicContact CG-CD2 4.44Å; F206-T282 HydrophobicContact CD2-CG2 4.49Å
207W89.5Confident89.4Confident83 Ų8351.2 Ų51.231%0.31426%0.257SS..Hα-helixtrans-63.9-48.9173.2-96.341.9000113.1K203 I204 I205 N209 G210 I211 M280 A283 L284K203-W207 WeakPolarHBondContact O-CB 3.49Å; K203-W207 PolarHBondContact O-N 2.87Å; I204-W207 WeakPolarHBondContact O-CB 3.49Å; I204-W207 PolarHBondContact O-N 3.21Å; I205-W207 VanDerWaalsContact C-N 3.29Å; I205-W207 PolarHBondContact O-N 3.33Å; W207-N209 VanDerWaalsContact C-N 3.32Å; W207-N209 PolarHBondContact O-N 3.32Å; W207-G210 PolarHBondContact O-N 3.44Å; W207-I211 HydrophobicContact CE3-CD1 4.15Å; W207-I211 WeakPolarHBondContact O-CB 3.38Å; W207-I211 VanDerWaalsContact O-CG1 3.26Å; W207-I211 WeakPolarHBondContact O-CG1 3.11Å; W207-I211 PolarHBondContact O-N 3.03Å; W207-M280 PolarHBondContact NE1-O 3.05Å; W207-A283 HydrophobicContact CD2-CB 4.34Å; W207-A283 HydrophobicContact CG-CB 4.1Å; W207-A283 HydrophobicContact CZ2-CB 4.25Å; W207-L284 HydrophobicContact CH2-CD2 3.75Å; W207-L284 HydrophobicContact CH2-CG 4.33Å; W207-L284 HydrophobicContact CZ2-CD2 3.41Å; W207-L284 VanDerWaalsContact CZ2-CD2 3.41Å; W207-L284 HydrophobicContact CZ2-CG 3.57Å
208L90Very high89.9Confident87 Ų8744.7 Ų44.746%0.45522%0.222SC..Hα-helixtrans-61.9-42.1178.5-73.1176.1000110.7I204 I205 I211 L212I204-L208 HydrophobicContact CG2-CD1 3.7Å; I204-L208 HydrophobicContact CG2-CG 4.15Å; I204-L208 WeakPolarHBondContact O-CB 3.43Å; I204-L208 WeakPolarHBondContact O-CG 3.27Å; I204-L208 PolarHBondContact O-N 2.98Å; I205-L208 PolarHBondContact O-N 3.29Å; L208-I211 PolarHBondContact O-N 2.94Å; L208-L212 HydrophobicContact CB-CD1 4.41Å; L208-L212 HydrophobicContact CD2-CD1 4.27Å; L208-L212 WeakPolarHBondContact O-CB 3.22Å; L208-L212 WeakPolarHBondContact O-CG 3.33Å; L208-L212 PolarHBondContact O-N 3.48Å
209N91.3Very high90.7Very high16 Ų1642 Ų429%0.08621%0.207CC..Hα-helixtrans-62.6-48.8175-73.3-12.1000111.7T160 I205 W207 I211 F213T160-N209 VanDerWaalsContact CG2-ND2 3.3Å; T160-N209 WeakPolarHBondContact CG2-ND2 3.44Å; T160-N209 PolarHBondContact OG1-ND2 3.22Å; T160-N209 PolarHBondContact OG1-OD1 2.78Å; I205-N209 WeakPolarHBondContact O-CB 3.48Å; I205-N209 VanDerWaalsContact O-CG 3.3Å; I205-N209 PolarHBondContact O-N 2.83Å; W207-N209 VanDerWaalsContact C-N 3.32Å; W207-N209 PolarHBondContact O-N 3.32Å; N209-I211 VanDerWaalsContact C-N 3.34Å; N209-I211 PolarHBondContact O-N 3.32Å; N209-F213 HydrophobicContact CB-CD2 4.13Å; N209-F213 WeakPolarHBondContact O-CA 2.86Å; N209-F213 WeakPolarHBondContact O-CB 3.43Å; N209-F213 PolarHBondContact O-N 2.82Å; N209-F213 VanDerWaalsContact OD1-CE2 3.25Å; N209-F213 WeakPolarHBondContact OD1-CE2 3.04Å
210G92.5Very high91.4Very high0 Ų044.8 Ų44.80%022%0.22CC..Iπ-helixtrans-58.8-45177.400000112.5F206 W207 K214 V215F206-G210 PolarHBondContact O-N 3.5Å; W207-G210 PolarHBondContact O-N 3.44Å; G210-K214 WeakPolarHBondContact O-CB 3.32Å; G210-K214 PolarHBondContact O-N 3.45Å; G210-V215 PolarHBondContact O-N 3.21Å
211I93.3Very high91.9Very high50 Ų5039 Ų3926%0.25620%0.195SC..Iπ-helixtrans-73.2-56.7-177.7-66.6170.2000111.1W207 L208 N209 V215 V216 M280W207-I211 HydrophobicContact CE3-CD1 4.15Å; W207-I211 WeakPolarHBondContact O-CB 3.38Å; W207-I211 VanDerWaalsContact O-CG1 3.26Å; W207-I211 WeakPolarHBondContact O-CG1 3.11Å; W207-I211 PolarHBondContact O-N 3.03Å; L208-I211 PolarHBondContact O-N 2.94Å; N209-I211 VanDerWaalsContact C-N 3.34Å; N209-I211 PolarHBondContact O-N 3.32Å; I211-V215 PolarHBondContact O-N 2.83Å; I211-V216 HydrophobicContact CG2-CG2 3.64Å; I211-V216 VanDerWaalsContact O-CB 3.3Å; I211-V216 WeakPolarHBondContact O-CB 3.38Å; I211-V216 WeakPolarHBondContact O-CG2 3.48Å; I211-V216 PolarHBondContact O-N 3.37Å; I211-M280 HydrophobicContact CD1-CE 4.29Å; I211-M280 HydrophobicContact CG1-CE 4.13Å; I211-M280 HydrophobicContact CG1-CG 3.99Å; I211-M280 HydrophobicContact CG1-SD 3.91Å
212L94.3Very high92.3Very high66 Ų6638.2 Ų38.235%0.34620%0.195SC..Iπ-helixtrans-74.6-35.2-171.9-65.1176.2000113.1W113 V156 L208 P217W113-L212 WeakPolarHBondContact CZ2-O 3.28Å; W113-L212 PolarHBondContact NE1-O 3.44Å; V156-L212 HydrophobicContact CG1-CD1 4.18Å; L208-L212 HydrophobicContact CB-CD1 4.41Å; L208-L212 HydrophobicContact CD2-CD1 4.27Å; L208-L212 WeakPolarHBondContact O-CB 3.22Å; L208-L212 WeakPolarHBondContact O-CG 3.33Å; L208-L212 PolarHBondContact O-N 3.48Å; L212-P217 WeakPolarHBondContact O-CD 3.35Å
213F94.6Very high92.8Very high7 Ų742 Ų423%0.03121%0.214CC..Iπ-helixtrans-94.3-17.3-175.4-59.6-21.7000113.7V105 A109 I153 V156 D157 N209V105-F213 HydrophobicContact CG1-CD2 3.89Å; V105-F213 HydrophobicContact CG1-CE2 3.99Å; A109-F213 HydrophobicContact CB-CB 3.71Å; A109-F213 HydrophobicContact CB-CD1 3.96Å; A109-F213 HydrophobicContact CB-CD2 4.13Å; A109-F213 HydrophobicContact CB-CG 3.69Å; I153-F213 HydrophobicContact CG2-CE1 4.16Å; I153-F213 HydrophobicContact CG2-CZ 4.27Å; V156-F213 HydrophobicContact CB-CE1 4.18Å; V156-F213 HydrophobicContact CB-CZ 4.11Å; V156-F213 HydrophobicContact CG1-CE1 3.7Å; V156-F213 HydrophobicContact CG1-CZ 3.68Å; D157-F213 HydrophobicContact CB-CE2 4.09Å; D157-F213 HydrophobicContact CB-CZ 4.06Å; N209-F213 HydrophobicContact CB-CD2 4.13Å; N209-F213 WeakPolarHBondContact O-CA 2.86Å; N209-F213 WeakPolarHBondContact O-CB 3.43Å; N209-F213 PolarHBondContact O-N 2.82Å; N209-F213 VanDerWaalsContact OD1-CE2 3.25Å; N209-F213 WeakPolarHBondContact OD1-CE2 3.04Å
214K93.6Very high93.3Very high18 Ų1839.2 Ų39.28%0.07820%0.203CC..Iπ-helixtrans-127.1-63.8-177.6-48.6-72-176.8169.60112.7I112 G210 P217 C218 E272I112-K214 HydrophobicContact CD1-CD 3.73Å; G210-K214 WeakPolarHBondContact O-CB 3.32Å; G210-K214 PolarHBondContact O-N 3.45Å; K214-P217 VanDerWaalsContact O-CD 3.31Å; K214-P217 WeakPolarHBondContact O-CD 3.48Å; K214-P217 VanDerWaalsContact O-CG 3.3Å; K214-P217 WeakPolarHBondContact O-CG 2.99Å; K214-C218 VanDerWaalsContact O-CB 3.3Å; K214-C218 WeakPolarHBondContact O-CB 3.2Å; K214-C218 PolarHBondContact O-N 3.01Å; K214-C218 PolarHBondContact O-SG 3.24Å; K214-E272 HydrophobicContact CD-CB 4.23Å; K214-E272 WeakPolarHBondContact CD-OE2 3.27Å; K214-E272 WeakPolarHBondContact CE-OE2 3.3Å; K214-E272 IonicContact NZ-OE2 2.97Å; K214-E272 PolarHBondContact NZ-OE2 3.05Å
215V93.5Very high93.5Very high17 Ų1736.4 Ų36.410%0.10319%0.189CC..Iπ-helixtrans-68.3-50.8-168.3176.60000113G210 I211 C218 I219 L273 L277 M280G210-V215 PolarHBondContact O-N 3.21Å; I211-V215 PolarHBondContact O-N 2.83Å; V215-C218 WeakPolarHBondContact O-CB 3.36Å; V215-C218 PolarHBondContact O-N 3.42Å; V215-I219 HydrophobicContact CG1-CD1 3.78Å; V215-I219 HydrophobicContact CG1-CG1 4.44Å; V215-I219 WeakPolarHBondContact O-CG1 3.45Å; V215-I219 PolarHBondContact O-N 2.73Å; V215-L273 HydrophobicContact CG2-CD1 4.47Å; V215-L277 HydrophobicContact CG2-CD2 4.41Å; V215-M280 HydrophobicContact CB-SD 4.47Å; V215-M280 HydrophobicContact CG2-SD 3.75Å
216V95.4Very high93.8Very high46 Ų4637.7 Ų37.728%0.27921%0.205SC..Hα-helixtrans-56.2-52.8177.9168.20000111.6W113 I211 C218 I219 L220W113-V216 HydrophobicContact CH2-CG1 4.02Å; W113-V216 HydrophobicContact CZ2-CG1 4.17Å; I211-V216 HydrophobicContact CG2-CG2 3.64Å; I211-V216 VanDerWaalsContact O-CB 3.3Å; I211-V216 WeakPolarHBondContact O-CB 3.38Å; I211-V216 WeakPolarHBondContact O-CG2 3.48Å; I211-V216 PolarHBondContact O-N 3.37Å; V216-C218 VanDerWaalsContact C-N 3.33Å; V216-C218 PolarHBondContact O-N 3.02Å; V216-I219 PolarHBondContact O-N 3.27Å; V216-L220 HydrophobicContact CG1-CD1 3.84Å; V216-L220 HydrophobicContact CG1-CG 4.34Å; V216-L220 WeakPolarHBondContact O-CB 3.44Å; V216-L220 WeakPolarHBondContact O-CG 3.32Å; V216-L220 PolarHBondContact O-N 3.4Å
217P95.3Very high94.2Very high0 Ų040.1 Ų40.10%022%0.217CC..Hα-helixtrans-65.6-35.3179.323.1-31.8000112.3I112 W113 V116 L212 K214 I219 L220 Q221I112-P217 HydrophobicContact CG2-CB 3.47Å; I112-P217 VanDerWaalsContact CG2-CB 3.47Å; I112-P217 HydrophobicContact CG2-CG 3.48Å; I112-P217 VanDerWaalsContact CG2-CG 3.48Å; W113-P217 HydrophobicContact CD2-CB 4.17Å; W113-P217 HydrophobicContact CZ2-CB 4.19Å; W113-P217 HydrophobicContact CZ2-CG 4.29Å; V116-P217 HydrophobicContact CG2-CB 3.73Å; L212-P217 WeakPolarHBondContact O-CD 3.35Å; K214-P217 VanDerWaalsContact O-CD 3.31Å; K214-P217 WeakPolarHBondContact O-CD 3.48Å; K214-P217 VanDerWaalsContact O-CG 3.3Å; K214-P217 WeakPolarHBondContact O-CG 2.99Å; P217-I219 PolarHBondContact O-N 3.02Å; P217-L220 PolarHBondContact O-N 3.46Å; P217-Q221 WeakPolarHBondContact O-CB 3.22Å; P217-Q221 VanDerWaalsContact O-CG 3.23Å; P217-Q221 WeakPolarHBondContact O-CG 3.31Å; P217-Q221 PolarHBondContact O-N 2.86Å
218C94.3Very high94.4Very high2 Ų236.3 Ų36.31%0.01420%0.203CC..Hα-helixtrans-58.6-46174-74.70000112.7K214 V215 V216 Q221 S222 L269 L273K214-C218 VanDerWaalsContact O-CB 3.3Å; K214-C218 WeakPolarHBondContact O-CB 3.2Å; K214-C218 PolarHBondContact O-N 3.01Å; K214-C218 PolarHBondContact O-SG 3.24Å; V215-C218 WeakPolarHBondContact O-CB 3.36Å; V215-C218 PolarHBondContact O-N 3.42Å; V216-C218 VanDerWaalsContact C-N 3.33Å; V216-C218 PolarHBondContact O-N 3.02Å; C218-Q221 PolarHBondContact O-N 3.3Å; C218-S222 WeakPolarHBondContact O-CB 3.37Å; C218-S222 PolarHBondContact O-N 2.95Å; C218-S222 PolarHBondContact O-OG 2.96Å; C218-S222 VanDerWaalsContact O-OG 3.09Å; C218-L269 HydrophobicContact CB-CD2 3.62Å; C218-L273 HydrophobicContact CB-CD1 4.06Å
219I94.8Very high94.7Very high91 Ų9136 Ų3647%0.46720%0.202SC..Hα-helixtrans-62.8-48.3176.1-67.4169.4000110.2V215 V216 P217 Q221 S222 I223V215-I219 HydrophobicContact CG1-CD1 3.78Å; V215-I219 HydrophobicContact CG1-CG1 4.44Å; V215-I219 WeakPolarHBondContact O-CG1 3.45Å; V215-I219 PolarHBondContact O-N 2.73Å; V216-I219 PolarHBondContact O-N 3.27Å; P217-I219 PolarHBondContact O-N 3.02Å; I219-Q221 VanDerWaalsContact C-N 3.34Å; I219-Q221 PolarHBondContact O-N 2.81Å; I219-S222 PolarHBondContact O-N 3.3Å; I219-I223 HydrophobicContact CG2-CD1 3.84Å; I219-I223 HydrophobicContact CG2-CG1 4.5Å; I219-I223 WeakPolarHBondContact O-CG1 3.34Å; I219-I223 PolarHBondContact O-N 3.4Å
220L96.3Very high94.9Very high67 Ų6742.6 Ų42.635%0.35123%0.226SC..Hα-helixtrans-59.6-44.1178.8-73.5175000111.7W113 V116 V216 P217 S222 I223 L224W113-L220 HydrophobicContact CH2-CD1 3.81Å; W113-L220 HydrophobicContact CZ3-CD1 3.89Å; V116-L220 HydrophobicContact CG1-CB 4.41Å; V216-L220 HydrophobicContact CG1-CD1 3.84Å; V216-L220 HydrophobicContact CG1-CG 4.34Å; V216-L220 WeakPolarHBondContact O-CB 3.44Å; V216-L220 WeakPolarHBondContact O-CG 3.32Å; V216-L220 PolarHBondContact O-N 3.4Å; P217-L220 PolarHBondContact O-N 3.46Å; L220-S222 PolarHBondContact O-N 2.95Å; L220-I223 PolarHBondContact O-N 3.46Å; L220-L224 WeakPolarHBondContact O-CB 3.3Å; L220-L224 WeakPolarHBondContact O-CG 3.38Å; L220-L224 PolarHBondContact O-N 3.29Å
221Q93.7Very high95Very high4 Ų443 Ų432%0.01923%0.229CC..Hα-helixtrans-63.3-42.1177-67.7178.212.800111.7I112 T115 V116 P217 C218 I219 I223 L224 I225 L265I112-Q221 PolarHBondContact O-NE2 3.32Å; T115-Q221 PolarHBondContact OG1-NE2 3.41Å; V116-Q221 HydrophobicContact CB-CG 4.31Å; V116-Q221 HydrophobicContact CG2-CG 3.48Å; V116-Q221 VanDerWaalsContact CG2-CG 3.48Å; P217-Q221 WeakPolarHBondContact O-CB 3.22Å; P217-Q221 VanDerWaalsContact O-CG 3.23Å; P217-Q221 WeakPolarHBondContact O-CG 3.31Å; P217-Q221 PolarHBondContact O-N 2.86Å; C218-Q221 PolarHBondContact O-N 3.3Å; I219-Q221 VanDerWaalsContact C-N 3.34Å; I219-Q221 PolarHBondContact O-N 2.81Å; Q221-I223 VanDerWaalsContact C-N 3.35Å; Q221-I223 PolarHBondContact O-N 3.12Å; Q221-L224 PolarHBondContact O-N 3.04Å; Q221-I225 WeakPolarHBondContact O-CB 3.46Å; Q221-I225 WeakPolarHBondContact O-CG1 3.49Å; Q221-I225 PolarHBondContact O-N 3.26Å; Q221-L265 HydrophobicContact CB-CD1 3.6Å
222S94.8Very high94.9Very high49 Ų4941 Ų4134%0.34322%0.218SC..Hα-helixtrans-60.8-44.4177.4-68.70000112C218 I219 L220 I225 G226C218-S222 WeakPolarHBondContact O-CB 3.37Å; C218-S222 PolarHBondContact O-N 2.95Å; C218-S222 PolarHBondContact O-OG 2.96Å; C218-S222 VanDerWaalsContact O-OG 3.09Å; I219-S222 PolarHBondContact O-N 3.3Å; L220-S222 PolarHBondContact O-N 2.95Å; S222-I225 PolarHBondContact O-N 3.43Å; S222-G226 PolarHBondContact O-N 3.39Å
223I97.3Very high94.8Very high93 Ų9344.3 Ų44.348%0.47723%0.23SC..Hα-helixtrans-61.4-48174.6-66.4168.4000110.4I219 L220 Q221 I225 G226 M227I219-I223 HydrophobicContact CG2-CD1 3.84Å; I219-I223 HydrophobicContact CG2-CG1 4.5Å; I219-I223 WeakPolarHBondContact O-CG1 3.34Å; I219-I223 PolarHBondContact O-N 3.4Å; L220-I223 PolarHBondContact O-N 3.46Å; Q221-I223 VanDerWaalsContact C-N 3.35Å; Q221-I223 PolarHBondContact O-N 3.12Å; I223-I225 PolarHBondContact O-N 3.21Å; I223-G226 PolarHBondContact O-N 3.27Å; I223-M227 HydrophobicContact CG2-CG 4.41Å; I223-M227 HydrophobicContact CG2-SD 4.09Å; I223-M227 VanDerWaalsContact O-CG 3.31Å; I223-M227 WeakPolarHBondContact O-CG 3.43Å; I223-M227 PolarHBondContact O-N 3.47Å
224L96.8Very high94.7Very high29 Ų2947 Ų4715%0.15224%0.242CC..Hα-helixtrans-63.7-39.5-178.6-71.3171.7000112.5V116 A119 V123 L220 Q221 M227 L228V116-L224 HydrophobicContact CG1-CD1 3.9Å; A119-L224 HydrophobicContact CB-CB 3.87Å; A119-L224 HydrophobicContact CB-CD1 4.03Å; V123-L224 HydrophobicContact CG2-CB 4.5Å; V123-L224 HydrophobicContact CG2-CD2 4.35Å; V123-L224 VanDerWaalsContact CG2-O 3.28Å; V123-L224 WeakPolarHBondContact CG2-O 3.46Å; L220-L224 WeakPolarHBondContact O-CB 3.3Å; L220-L224 WeakPolarHBondContact O-CG 3.38Å; L220-L224 PolarHBondContact O-N 3.29Å; Q221-L224 PolarHBondContact O-N 3.04Å; L224-M227 PolarHBondContact O-N 2.64Å; L224-L228 WeakPolarHBondContact O-CB 3.34Å; L224-L228 PolarHBondContact O-N 3.28Å
225I94.2Very high94.5Very high12 Ų1246.2 Ų46.26%0.06224%0.239CC..Hα-helixtrans-67.8-42.2174.6-68.1-59.5000110.8A119 Q221 S222 I223 M227 L228 L229 L261 I262 L265A119-I225 HydrophobicContact CB-CD1 4.45Å; Q221-I225 WeakPolarHBondContact O-CB 3.46Å; Q221-I225 WeakPolarHBondContact O-CG1 3.49Å; Q221-I225 PolarHBondContact O-N 3.26Å; S222-I225 PolarHBondContact O-N 3.43Å; I223-I225 PolarHBondContact O-N 3.21Å; I225-M227 VanDerWaalsContact C-N 3.33Å; I225-M227 PolarHBondContact O-N 3.18Å; I225-L228 HydrophobicContact CD1-CD2 4.23Å; I225-L228 WeakPolarHBondContact O-CB 3.4Å; I225-L228 PolarHBondContact O-N 3.18Å; I225-L228 VanDerWaalsContact O-N 3.16Å; I225-L229 HydrophobicContact CG2-CD1 4.22Å; I225-L229 HydrophobicContact CG2-CG 4.41Å; I225-L229 VanDerWaalsContact O-CG 3.32Å; I225-L229 WeakPolarHBondContact O-CG 3.18Å; I225-L229 PolarHBondContact O-N 2.91Å; I225-L261 HydrophobicContact CD1-CB 3.81Å; I225-I262 HydrophobicContact CG2-CG1 4.2Å; I225-L265 HydrophobicContact CB-CD2 3.72Å; I225-L265 HydrophobicContact CG1-CB 4.24Å; I225-L265 HydrophobicContact CG1-CD2 3.58Å; I225-L265 HydrophobicContact CG1-CG 4.43Å; I225-L265 HydrophobicContact CG2-CD2 3.96Å
226G95.8Very high94.3Very high39 Ų3952.2 Ų52.240%0.40226%0.26SS..Hα-helixtrans-57-45.8172.900000112.4S222 I223 L229 Y230S222-G226 PolarHBondContact O-N 3.39Å; I223-G226 PolarHBondContact O-N 3.27Å; G226-L229 PolarHBondContact O-N 2.87Å; G226-Y230 PolarHBondContact O-N 3.11Å
227M96.7Very high93.9Very high67 Ų6756 Ų5633%0.3327%0.273SS..Hα-helixtrans-62.6-42.4174.1-69.9179.875.600112.3V123 I223 L224 I225 Y230 L231V123-M227 HydrophobicContact CG2-CB 4.43Å; I223-M227 HydrophobicContact CG2-CG 4.41Å; I223-M227 HydrophobicContact CG2-SD 4.09Å; I223-M227 VanDerWaalsContact O-CG 3.31Å; I223-M227 WeakPolarHBondContact O-CG 3.43Å; I223-M227 PolarHBondContact O-N 3.47Å; L224-M227 PolarHBondContact O-N 2.64Å; I225-M227 VanDerWaalsContact C-N 3.33Å; I225-M227 PolarHBondContact O-N 3.18Å; M227-Y230 PolarHBondContact O-N 2.93Å; M227-L231 VanDerWaalsContact O-CG 3.3Å; M227-L231 WeakPolarHBondContact O-CG 3.47Å; M227-L231 PolarHBondContact O-N 3.47Å
228L94.6Very high93.2Very high3 Ų361.3 Ų61.32%0.01629%0.293CS..Hα-helixtrans-60.2-46.4177.7178.962.2000110.9R122 V123 V126 L224 I225 Y230 L231 L232 T258 L261R122-L228 HydrophobicContact CB-CD1 4.44Å; R122-L228 HydrophobicContact CB-CD2 4.42Å; V123-L228 HydrophobicContact CG2-CB 3.89Å; V126-L228 HydrophobicContact CB-CD1 4.39Å; V126-L228 HydrophobicContact CG2-CD1 3.81Å; L224-L228 WeakPolarHBondContact O-CB 3.34Å; L224-L228 PolarHBondContact O-N 3.28Å; I225-L228 HydrophobicContact CD1-CD2 4.23Å; I225-L228 WeakPolarHBondContact O-CB 3.4Å; I225-L228 PolarHBondContact O-N 3.18Å; I225-L228 VanDerWaalsContact O-N 3.16Å; L228-Y230 PolarHBondContact O-N 3.23Å; L228-L231 PolarHBondContact O-N 2.88Å; L228-L232 HydrophobicContact CD1-CD1 3.96Å; L228-L232 HydrophobicContact CD1-CG 4.2Å; L228-L232 HydrophobicContact CG-CD1 3.79Å; L228-L232 HydrophobicContact CG-CG 4.45Å; L228-L232 WeakPolarHBondContact O-CB 3.44Å; L228-L232 VanDerWaalsContact O-CG 3.25Å; L228-L232 WeakPolarHBondContact O-CG 3.49Å; L228-L232 PolarHBondContact O-N 3.44Å; L228-T258 HydrophobicContact CD2-CG2 4.11Å; L228-T258 HydrophobicContact CG-CG2 4.47Å; L228-L261 HydrophobicContact CD2-CD1 3.67Å
229L95.1Very high92.8Very high81 Ų8164.6 Ų64.642%0.42431%0.305SS..Hα-helixtrans-59.8-44.5177.2-71.5175.2000111.9I225 G226 L231 L232 K233 T258 I262I225-L229 HydrophobicContact CG2-CD1 4.22Å; I225-L229 HydrophobicContact CG2-CG 4.41Å; I225-L229 VanDerWaalsContact O-CG 3.32Å; I225-L229 WeakPolarHBondContact O-CG 3.18Å; I225-L229 PolarHBondContact O-N 2.91Å; G226-L229 PolarHBondContact O-N 2.87Å; L229-L231 PolarHBondContact O-N 3.34Å; L229-L232 PolarHBondContact O-N 3.33Å; L229-K233 WeakPolarHBondContact O-CB 3.2Å; L229-K233 PolarHBondContact O-N 2.71Å; L229-T258 HydrophobicContact CD2-CG2 4.16Å; L229-I262 HydrophobicContact CD2-CD1 3.89Å
230Y95.7Very high92.1Very high153 Ų15368.8 Ų68.860%0.632%0.32SS*.Hα-helixtrans-58.7-47.6175173.4-100.2000112G226 M227 L228 L232 K233 Q234G226-Y230 PolarHBondContact O-N 3.11Å; M227-Y230 PolarHBondContact O-N 2.93Å; L228-Y230 PolarHBondContact O-N 3.23Å; Y230-L232 VanDerWaalsContact C-N 3.35Å; Y230-L232 PolarHBondContact O-N 3.46Å; Y230-K233 WeakPolarHBondContact O-CB 3.25Å; Y230-K233 PolarHBondContact O-N 3Å; Y230-Q234 PolarHBondContact O-N 2.95Å
231L94.1Very high91.2Very high10 Ų1076.6 Ų76.65%0.05235%0.345CS..Hα-helixtrans-65.2-37.3179.4-67.7175000112.3V123 V126 R127 L130 M227 L228 L229 Q234 A235V123-L231 HydrophobicContact CG1-CD1 3.93Å; V126-L231 HydrophobicContact CG1-CB 3.79Å; R127-L231 HydrophobicContact CB-CD1 4.06Å; L130-L231 HydrophobicContact CD1-CB 4.08Å; L130-L231 HydrophobicContact CD1-CD2 3.89Å; M227-L231 VanDerWaalsContact O-CG 3.3Å; M227-L231 WeakPolarHBondContact O-CG 3.47Å; M227-L231 PolarHBondContact O-N 3.47Å; L228-L231 PolarHBondContact O-N 2.88Å; L229-L231 PolarHBondContact O-N 3.34Å; L231-Q234 WeakPolarHBondContact O-CB 3.18Å; L231-Q234 PolarHBondContact O-N 3.24Å; L231-A235 WeakPolarHBondContact O-CB 3.33Å; L231-A235 PolarHBondContact O-N 3.32Å
232L92.4Very high90Very high6 Ų679.9 Ų79.93%0.03136%0.362CS..Hα-helixtrans-70.6-37.2176.9-70.1165.7000112.1V126 L228 L229 Y230 Q234 A235 R236 D255 T258V126-L232 HydrophobicContact CG1-CD2 4.22Å; V126-L232 HydrophobicContact CG2-CD2 4.23Å; L228-L232 HydrophobicContact CD1-CD1 3.96Å; L228-L232 HydrophobicContact CD1-CG 4.2Å; L228-L232 HydrophobicContact CG-CD1 3.79Å; L228-L232 HydrophobicContact CG-CG 4.45Å; L228-L232 WeakPolarHBondContact O-CB 3.44Å; L228-L232 VanDerWaalsContact O-CG 3.25Å; L228-L232 WeakPolarHBondContact O-CG 3.49Å; L228-L232 PolarHBondContact O-N 3.44Å; L229-L232 PolarHBondContact O-N 3.33Å; Y230-L232 VanDerWaalsContact C-N 3.35Å; Y230-L232 PolarHBondContact O-N 3.46Å; L232-Q234 VanDerWaalsContact C-N 3.32Å; L232-Q234 PolarHBondContact O-N 2.85Å; L232-A235 WeakPolarHBondContact O-CB 3.31Å; L232-A235 PolarHBondContact O-N 3.44Å; L232-R236 WeakPolarHBondContact O-CG 3.39Å; L232-R236 PolarHBondContact O-N 3.48Å; L232-D255 HydrophobicContact CD2-CB 4.47Å; L232-T258 HydrophobicContact CD1-CG2 3.45Å; L232-T258 VanDerWaalsContact CD1-CG2 3.45Å; L232-T258 WeakPolarHBondContact CD1-OG1 3.17Å
233K92.6Very high88.8Confident136 Ų13682.8 Ų82.859%0.59138%0.382SS*.Hα-helixtrans-58.8-46.5170.7-172.8178.7-178.1179.40110.3L229 Y230 A235 R236 F237L229-K233 WeakPolarHBondContact O-CB 3.2Å; L229-K233 PolarHBondContact O-N 2.71Å; Y230-K233 WeakPolarHBondContact O-CB 3.25Å; Y230-K233 PolarHBondContact O-N 3Å; K233-A235 VanDerWaalsContact C-N 3.34Å; K233-A235 PolarHBondContact O-N 2.88Å; K233-R236 PolarHBondContact O-N 3.25Å; K233-F237 HydrophobicContact CD-CE2 4.43Å; K233-F237 HydrophobicContact CG-CD2 4.33Å; K233-F237 HydrophobicContact CG-CE2 3.78Å; K233-F237 WeakPolarHBondContact O-CD2 3.28Å; K233-F237 PolarHBondContact O-N 3.44Å
234Q91.9Very high87.7Confident63 Ų6383 Ų8329%0.29439%0.392SS..Hα-helixtrans-61.2-40.8174.2-169-179.121.900112.3Y230 L231 L232 F237 R238Y230-Q234 PolarHBondContact O-N 2.95Å; L231-Q234 WeakPolarHBondContact O-CB 3.18Å; L231-Q234 PolarHBondContact O-N 3.24Å; L232-Q234 VanDerWaalsContact C-N 3.32Å; L232-Q234 PolarHBondContact O-N 2.85Å; Q234-F237 PolarHBondContact O-N 3.3Å; Q234-R238 PolarHBondContact O-N 3.22Å; Q234-R238 VanDerWaalsContact O-N 3.13Å
235A88.9Confident87.1Confident2 Ų283 Ų832%0.01740%0.399CS..Hα-helixtrans-61-45.1176.300000111.6L130 L231 L232 K233 F237 R238 R239 L251L130-A235 HydrophobicContact CD2-CB 3.79Å; L231-A235 WeakPolarHBondContact O-CB 3.33Å; L231-A235 PolarHBondContact O-N 3.32Å; L232-A235 WeakPolarHBondContact O-CB 3.31Å; L232-A235 PolarHBondContact O-N 3.44Å; K233-A235 VanDerWaalsContact C-N 3.34Å; K233-A235 PolarHBondContact O-N 2.88Å; A235-F237 VanDerWaalsContact C-N 3.33Å; A235-F237 PolarHBondContact O-N 3.36Å; A235-R238 PolarHBondContact O-N 3.21Å; A235-R239 VanDerWaalsContact O-CG 3.23Å; A235-R239 WeakPolarHBondContact O-CG 3.41Å; A235-R239 PolarHBondContact O-N 2.77Å; A235-L251 HydrophobicContact CB-CB 4.5Å; A235-L251 HydrophobicContact CB-CD1 4.2Å; A235-L251 HydrophobicContact CB-CD2 3.97Å; A235-L251 HydrophobicContact CB-CG 4.46Å
236R88.8Confident86.7Confident144 Ų14484.7 Ų84.754%0.54342%0.415SS..Hα-helixtrans-58.2-42.6177.6-73.3179.9-177.9-178.17.6112.1L232 K233 R239 D255L232-R236 WeakPolarHBondContact O-CG 3.39Å; L232-R236 PolarHBondContact O-N 3.48Å; K233-R236 PolarHBondContact O-N 3.25Å; R236-R239 PolarHBondContact O-N 2.9Å; R236-D255 IonicContact CZ-OD1 3.35Å; R236-D255 IonicContact CZ-OD2 3.62Å; R236-D255 IonicContact NE-OD1 3.18Å; R236-D255 PolarHBondContact NE-OD1 2.93Å; R236-D255 IonicContact NE-OD2 2.92Å; R236-D255 PolarHBondContact NE-OD2 2.98Å; R236-D255 IonicContact NH2-OD1 3.28Å; R236-D255 PolarHBondContact NH2-OD1 3.47Å; R236-D255 IonicContact NH2-OD2 2.7Å
237F87.2Confident86.2Confident124 Ų12484.5 Ų84.554%0.54441%0.406SS..Hα-helixtrans-64.3-41.7175.6-71.9-63.1000112.8K233 Q234 A235 K240K233-F237 HydrophobicContact CD-CE2 4.43Å; K233-F237 HydrophobicContact CG-CD2 4.33Å; K233-F237 HydrophobicContact CG-CE2 3.78Å; K233-F237 WeakPolarHBondContact O-CD2 3.28Å; K233-F237 PolarHBondContact O-N 3.44Å; Q234-F237 PolarHBondContact O-N 3.3Å; A235-F237 VanDerWaalsContact C-N 3.33Å; A235-F237 PolarHBondContact O-N 3.36Å; F237-K240 PolarHBondContact O-N 3.09Å
238R82.1Confident85.7Confident113 Ų11382.8 Ų82.843%0.42640%0.398SS..Hα-helixtrans-66.7-38.2177.6-72.8-174.8175.5-159.4-4.5112.4L130 Q234 A235 K240 R241 L242L130-R238 PolarHBondContact O-NH1 3.48Å; Q234-R238 PolarHBondContact O-N 3.22Å; Q234-R238 VanDerWaalsContact O-N 3.13Å; A235-R238 PolarHBondContact O-N 3.21Å; R238-K240 PolarHBondContact O-N 2.96Å; R238-R241 PolarHBondContact O-N 3.2Å; R238-L242 HydrophobicContact CB-CD1 4.16Å; R238-L242 WeakPolarHBondContact O-CD1 3.48Å; R238-L242 PolarHBondContact O-N 3.01Å
239R84.2Confident85.3Confident70 Ų7088.3 Ų88.326%0.26442%0.419SS..Hα-helixtrans-60-28-179.3-72.2176.162.7-147.4-11.9113.4A235 R236 R241 N248 D255A235-R239 VanDerWaalsContact O-CG 3.23Å; A235-R239 WeakPolarHBondContact O-CG 3.41Å; A235-R239 PolarHBondContact O-N 2.77Å; R236-R239 PolarHBondContact O-N 2.9Å; R239-R241 PolarHBondContact O-N 3.26Å; R239-N248 WeakPolarHBondContact CD-OD1 3.49Å; R239-N248 WeakPolarHBondContact CG-OD1 3.45Å; R239-N248 PolarHBondContact NE-OD1 2.55Å; R239-D255 IonicContact NH1-OD2 3.78Å
240K80.5Confident84.9Confident180 Ų18085.3 Ų85.378%0.78340%0.404SS*.THydrogen-bonded Turntrans-66.4-18.7173.8-64.8-173.1178.9-1730113.6F237 R238F237-K240 PolarHBondContact O-N 3.09Å; R238-K240 PolarHBondContact O-N 2.96Å
241R77.5Confident84.5Confident231 Ų23178.5 Ų78.587%0.87238%0.378SS*.THydrogen-bonded Turntrans-107.5-8.1-175.8-60.8-177.3177.5-179.3-1.6114.1R238 R239R238-R241 PolarHBondContact O-N 3.2Å; R239-R241 PolarHBondContact O-N 3.26Å
242L68.7Low84.1Confident73 Ų7382.7 Ų82.738%0.38239%0.393SS..SBendtrans-113134.2-174.5-82.9109.8000112.1R238R238-L242 HydrophobicContact CB-CD1 4.16Å; R238-L242 WeakPolarHBondContact O-CD1 3.48Å; R238-L242 PolarHBondContact O-N 3.01Å
243S69.9Low83.9Confident110 Ų11086.2 Ų86.277%0.76941%0.412SS*.  trans-58.2158.2168.71780000112.4G245S243-G245 PolarHBondContact O-N 3Å; S243-G245 VanDerWaalsContact O-N 3.1Å
244S73.7Confident83.6Confident97 Ų9781.1 Ų81.168%0.67839%0.39SS*.SBendtrans-60.1109-179.3-171.20000111.1
245G84.7Confident83.4Confident28 Ų2879.4 Ų79.429%0.28938%0.383SS..  trans-141.8172.2177.900000112.4S243 V247 N248 R249S243-G245 PolarHBondContact O-N 3Å; S243-G245 VanDerWaalsContact O-N 3.1Å; G245-V247 VanDerWaalsContact C-N 3.28Å; G245-V247 PolarHBondContact O-N 2.91Å; G245-N248 PolarHBondContact O-N 3.3Å; G245-N248 VanDerWaalsContact O-N 3.09Å; G245-R249 PolarHBondContact O-N 3.06Å; G245-R249 VanDerWaalsContact O-N 3.09Å
246A85.7Confident83.3Confident49 Ų4985.2 Ų85.241%0.40541%0.408SS..Hα-helixtrans-56.5-40-177.800000113L134 R249 S250L134-A246 HydrophobicContact CD1-CB 4.09Å; A246-R249 PolarHBondContact O-N 2.87Å; A246-S250 PolarHBondContact O-N 3.46Å
247V85.5Confident83.2Confident35 Ų3579.5 Ų79.521%0.21239%0.389CS..Hα-helixtrans-63-42.8176.1177.40000111.9A129 L134 G245 R249 S250 L251A129-V247 WeakPolarHBondContact O-CG1 3.29Å; L134-V247 HydrophobicContact CD2-CG2 4.32Å; L134-V247 HydrophobicContact CG-CG2 4.23Å; G245-V247 VanDerWaalsContact C-N 3.28Å; G245-V247 PolarHBondContact O-N 2.91Å; V247-R249 VanDerWaalsContact C-N 3.33Å; V247-R249 PolarHBondContact O-N 2.88Å; V247-S250 PolarHBondContact O-N 3.03Å; V247-L251 HydrophobicContact CG1-CD1 4.11Å; V247-L251 HydrophobicContact CG1-CG 4.44Å; V247-L251 WeakPolarHBondContact O-CG 3.23Å; V247-L251 PolarHBondContact O-N 3.26Å
248N85.6Confident83.3Confident31 Ų3173.9 Ų73.917%0.16637%0.365CS..Hα-helixtrans-65.1-38.1178.7-170.67.7000111.3R239 G245 R252R239-N248 WeakPolarHBondContact CD-OD1 3.49Å; R239-N248 WeakPolarHBondContact CG-OD1 3.45Å; R239-N248 PolarHBondContact NE-OD1 2.55Å; G245-N248 PolarHBondContact O-N 3.3Å; G245-N248 VanDerWaalsContact O-N 3.09Å; N248-R252 WeakPolarHBondContact O-CB 3.13Å; N248-R252 PolarHBondContact O-N 2.77Å; N248-R252 VanDerWaalsContact O-N 3.09Å
249R86.5Confident83.7Confident118 Ų11871.7 Ų71.745%0.44537%0.366SS..Hα-helixtrans-62.6-49.4173-67.5-168.6-68.1-93.37.8111.6G245 A246 V247 L251 R252 D253G245-R249 PolarHBondContact O-N 3.06Å; G245-R249 VanDerWaalsContact O-N 3.09Å; A246-R249 PolarHBondContact O-N 2.87Å; V247-R249 VanDerWaalsContact C-N 3.33Å; V247-R249 PolarHBondContact O-N 2.88Å; R249-L251 PolarHBondContact O-N 2.94Å; R249-R252 WeakPolarHBondContact O-CB 3.42Å; R249-R252 PolarHBondContact O-N 2.94Å; R249-R252 VanDerWaalsContact O-N 3.14Å; R249-D253 VanDerWaalsContact O-CG 3.27Å; R249-D253 PolarHBondContact O-N 3.31Å
250S86.3Confident84.1Confident18 Ų1868.9 Ų68.913%0.12636%0.356CS..Hα-helixtrans-57.6-47177.7172.50000112.5A246 V247 R252 D253 Y254A246-S250 PolarHBondContact O-N 3.46Å; V247-S250 PolarHBondContact O-N 3.03Å; S250-R252 VanDerWaalsContact C-N 3.3Å; S250-R252 PolarHBondContact O-N 3.45Å; S250-D253 PolarHBondContact O-N 2.82Å; S250-D253 VanDerWaalsContact O-N 3.11Å; S250-Y254 VanDerWaalsContact O-CD2 3.23Å; S250-Y254 WeakPolarHBondContact O-CD2 3.41Å; S250-Y254 PolarHBondContact O-N 2.84Å; S250-Y254 WeakPolarHBondContact OG-CE2 3.47Å; S250-Y254 PolarHBondContact OG-OH 2.71Å
251L86.9Confident84.5Confident10 Ų1060.6 Ų60.65%0.05232%0.32CS..Hα-helixtrans-61.5-36.8176.4-70.6173.8000112.7V126 A129 L130 A235 V247 R249 Y254 D255V126-L251 HydrophobicContact CG1-CD2 4.32Å; A129-L251 HydrophobicContact CB-CD2 3.66Å; A129-L251 HydrophobicContact CB-CG 4.16Å; L130-L251 HydrophobicContact CD2-CD1 4.39Å; L130-L251 HydrophobicContact CD2-CD2 4.44Å; L130-L251 HydrophobicContact CG-CD2 4.33Å; A235-L251 HydrophobicContact CB-CB 4.5Å; A235-L251 HydrophobicContact CB-CD1 4.2Å; A235-L251 HydrophobicContact CB-CD2 3.97Å; A235-L251 HydrophobicContact CB-CG 4.46Å; V247-L251 HydrophobicContact CG1-CD1 4.11Å; V247-L251 HydrophobicContact CG1-CG 4.44Å; V247-L251 WeakPolarHBondContact O-CG 3.23Å; V247-L251 PolarHBondContact O-N 3.26Å; R249-L251 PolarHBondContact O-N 2.94Å; L251-Y254 HydrophobicContact CD2-CD2 4.34Å; L251-D255 PolarHBondContact O-N 3.4Å
252R87.4Confident85.2Confident98 Ų9853 Ų5337%0.3730%0.296SS..Hα-helixtrans-66.3-38.5174.4-174.7-176.167-154.21.6111.9N248 R249 S250 D255 K256N248-R252 WeakPolarHBondContact O-CB 3.13Å; N248-R252 PolarHBondContact O-N 2.77Å; N248-R252 VanDerWaalsContact O-N 3.09Å; R249-R252 WeakPolarHBondContact O-CB 3.42Å; R249-R252 PolarHBondContact O-N 2.94Å; R249-R252 VanDerWaalsContact O-N 3.14Å; S250-R252 VanDerWaalsContact C-N 3.3Å; S250-R252 PolarHBondContact O-N 3.45Å; R252-D255 WeakPolarHBondContact O-CB 3.03Å; R252-D255 PolarHBondContact O-N 3.36Å; R252-K256 WeakPolarHBondContact O-CG 3.32Å; R252-K256 PolarHBondContact O-N 2.88Å
253D86.6Confident86.4Confident81 Ų8151.2 Ų51.243%0.43329%0.291SS..Hα-helixtrans-71.9-33179.8-62.4-19.7000111.4R249 S250 S257R249-D253 VanDerWaalsContact O-CG 3.27Å; R249-D253 PolarHBondContact O-N 3.31Å; S250-D253 PolarHBondContact O-N 2.82Å; S250-D253 VanDerWaalsContact O-N 3.11Å; D253-S257 PolarHBondContact O-N 3.42Å; D253-S257 VanDerWaalsContact O-N 3.13Å; D253-S257 PolarHBondContact O-OG 3.46Å
254Y87.5Confident87.4Confident28 Ų2846.2 Ų46.211%0.1126%0.256CS..Hα-helixtrans-63.6-46.4168.4-60.7-38.7000112.1V126 A129 S250 L251 K256 S257 T258V126-Y254 HydrophobicContact CB-CD2 4.43Å; V126-Y254 HydrophobicContact CG2-CD2 3.58Å; V126-Y254 HydrophobicContact CG2-CE2 4.29Å; V126-Y254 HydrophobicContact CG2-CG 3.71Å; A129-Y254 HydrophobicContact CB-CE2 4.05Å; S250-Y254 VanDerWaalsContact O-CD2 3.23Å; S250-Y254 WeakPolarHBondContact O-CD2 3.41Å; S250-Y254 PolarHBondContact O-N 2.84Å; S250-Y254 WeakPolarHBondContact OG-CE2 3.47Å; S250-Y254 PolarHBondContact OG-OH 2.71Å; L251-Y254 HydrophobicContact CD2-CD2 4.34Å; Y254-K256 VanDerWaalsContact C-N 3.28Å; Y254-K256 PolarHBondContact O-N 2.94Å; Y254-S257 WeakPolarHBondContact CA-OG 3.26Å; Y254-S257 PolarHBondContact O-N 3.15Å; Y254-S257 PolarHBondContact O-OG 3.3Å; Y254-T258 PolarHBondContact O-N 3.06Å; Y254-T258 VanDerWaalsContact O-N 3.07Å; Y254-T258 PolarHBondContact O-OG1 2.94Å
255D86.4Confident88.3Confident28 Ų2842.6 Ų42.615%0.1523%0.229CC..Hα-helixtrans-56.1-44176.9-159.210.4000111.5L232 R236 R239 L251 R252 S257 T258 P259L232-D255 HydrophobicContact CD2-CB 4.47Å; R236-D255 IonicContact CZ-OD1 3.35Å; R236-D255 IonicContact CZ-OD2 3.62Å; R236-D255 IonicContact NE-OD1 3.18Å; R236-D255 PolarHBondContact NE-OD1 2.93Å; R236-D255 IonicContact NE-OD2 2.92Å; R236-D255 PolarHBondContact NE-OD2 2.98Å; R236-D255 IonicContact NH2-OD1 3.28Å; R236-D255 PolarHBondContact NH2-OD1 3.47Å; R236-D255 IonicContact NH2-OD2 2.7Å; R239-D255 IonicContact NH1-OD2 3.78Å; L251-D255 PolarHBondContact O-N 3.4Å; R252-D255 WeakPolarHBondContact O-CB 3.03Å; R252-D255 PolarHBondContact O-N 3.36Å; D255-S257 VanDerWaalsContact C-N 3.34Å; D255-S257 PolarHBondContact O-N 3.33Å; D255-T258 PolarHBondContact O-N 3.28Å; D255-P259 WeakPolarHBondContact O-CD 3.26Å
256K87.6Confident88.7Confident124 Ų12443.3 Ų43.354%0.53923%0.233SC..Hα-helixtrans-66.6-29.2176.9-72.5178.6178.6-174.30114.6R252 Y254R252-K256 WeakPolarHBondContact O-CG 3.32Å; R252-K256 PolarHBondContact O-N 2.88Å; Y254-K256 VanDerWaalsContact C-N 3.28Å; Y254-K256 PolarHBondContact O-N 2.94Å
257S86.5Confident89Confident23 Ų2341.9 Ų41.916%0.16122%0.221CC..Hα-helixtrans-93.2-3.2-179.148.50000113.5R122 D253 Y254 D255 M260R122-S257 PolarHBondContact NH1-OG 2.77Å; R122-S257 PolarHBondContact NH2-OG 3.2Å; D253-S257 PolarHBondContact O-N 3.42Å; D253-S257 VanDerWaalsContact O-N 3.13Å; D253-S257 PolarHBondContact O-OG 3.46Å; Y254-S257 WeakPolarHBondContact CA-OG 3.26Å; Y254-S257 PolarHBondContact O-N 3.15Å; Y254-S257 PolarHBondContact O-OG 3.3Å; D255-S257 VanDerWaalsContact C-N 3.34Å; D255-S257 PolarHBondContact O-N 3.33Å; S257-M260 VanDerWaalsContact O-CB 3.31Å; S257-M260 WeakPolarHBondContact O-CB 3.35Å
258T90.5Very high89.3Confident7 Ų740.3 Ų40.34%0.04321%0.211CC..Hα-helixtrans-70.4-40.1180-57.80000113.6L228 L229 L232 Y254 D255 M260 L261 I262L228-T258 HydrophobicContact CD2-CG2 4.11Å; L228-T258 HydrophobicContact CG-CG2 4.47Å; L229-T258 HydrophobicContact CD2-CG2 4.16Å; L232-T258 HydrophobicContact CD1-CG2 3.45Å; L232-T258 VanDerWaalsContact CD1-CG2 3.45Å; L232-T258 WeakPolarHBondContact CD1-OG1 3.17Å; Y254-T258 PolarHBondContact O-N 3.06Å; Y254-T258 VanDerWaalsContact O-N 3.07Å; Y254-T258 PolarHBondContact O-OG1 2.94Å; D255-T258 PolarHBondContact O-N 3.28Å; T258-M260 PolarHBondContact O-N 2.81Å; T258-L261 PolarHBondContact O-N 2.76Å; T258-I262 HydrophobicContact CG2-CD1 4.02Å; T258-I262 HydrophobicContact CG2-CG1 4.29Å; T258-I262 PolarHBondContact O-N 2.81Å; T258-I262 VanDerWaalsContact O-N 3.1Å
259P90.2Very high89.6Confident67 Ų6741 Ų4144%0.43521%0.214SC..Hα-helixtrans-54.4-35.9175.8-27.936.1000113.4D255 L261 I262 A263 T318D255-P259 WeakPolarHBondContact O-CD 3.26Å; P259-L261 VanDerWaalsContact C-N 3.32Å; P259-L261 PolarHBondContact O-N 3.33Å; P259-I262 PolarHBondContact O-N 3.32Å; P259-A263 WeakPolarHBondContact O-CB 3.38Å; P259-A263 PolarHBondContact O-N 3.35Å; P259-T318 HydrophobicContact CB-CG2 4.41Å
260M91Very high89.9Confident10 Ų1041 Ų415%0.04922%0.222CC..Hα-helixtrans-56.5-44.5173.6-174.3-171-175.700112.3L57 S257 T258 L264 I314 Y315 T318L57-M260 HydrophobicContact CD1-CE 3.36Å; L57-M260 HydrophobicContact CD2-CE 3.91Å; L57-M260 HydrophobicContact CG-CE 4.31Å; S257-M260 VanDerWaalsContact O-CB 3.31Å; S257-M260 WeakPolarHBondContact O-CB 3.35Å; T258-M260 PolarHBondContact O-N 2.81Å; M260-L264 VanDerWaalsContact O-CB 3.31Å; M260-L264 WeakPolarHBondContact O-CB 3.22Å; M260-L264 PolarHBondContact O-N 3.47Å; M260-I314 HydrophobicContact CG-CG2 4.23Å; M260-Y315 HydrophobicContact CE-CD1 3.21Å; M260-Y315 HydrophobicContact CE-CE1 3.32Å; M260-Y315 HydrophobicContact CE-CG 3.95Å; M260-Y315 HydrophobicContact CG-CD1 4.42Å; M260-T318 WeakPolarHBondContact CA-OG1 3.29Å; M260-T318 HydrophobicContact CB-CG2 4.47Å; M260-T318 WeakPolarHBondContact CB-OG1 3.34Å; M260-T318 WeakPolarHBondContact CG-OG1 3.39Å
261L89.9Confident90.2Very high7 Ų740.3 Ų40.34%0.03722%0.217CC..Hα-helixtrans-74.6-35.1-176.5-52.1-174.7000112.1L118 R122 I225 L228 T258 P259 L265L118-L261 HydrophobicContact CD2-CD1 4.15Å; L118-L261 HydrophobicContact CD2-CD2 3.19Å; L118-L261 HydrophobicContact CD2-CG 4.28Å; R122-L261 HydrophobicContact CB-CD1 4.05Å; R122-L261 HydrophobicContact CG-CD1 3.63Å; I225-L261 HydrophobicContact CD1-CB 3.81Å; L228-L261 HydrophobicContact CD2-CD1 3.67Å; T258-L261 PolarHBondContact O-N 2.76Å; P259-L261 VanDerWaalsContact C-N 3.32Å; P259-L261 PolarHBondContact O-N 3.33Å; L261-L265 WeakPolarHBondContact O-CB 3.21Å; L261-L265 PolarHBondContact O-N 2.95Å
262I92.8Very high90.5Very high72 Ų7239.9 Ų39.937%0.36922%0.215SC..Hα-helixtrans-66.1-46.3174.6-61.4170.2000109.6I225 L229 T258 P259 L264 L265 A266I225-I262 HydrophobicContact CG2-CG1 4.2Å; L229-I262 HydrophobicContact CD2-CD1 3.89Å; T258-I262 HydrophobicContact CG2-CD1 4.02Å; T258-I262 HydrophobicContact CG2-CG1 4.29Å; T258-I262 PolarHBondContact O-N 2.81Å; T258-I262 VanDerWaalsContact O-N 3.1Å; P259-I262 PolarHBondContact O-N 3.32Å; I262-L264 VanDerWaalsContact C-N 3.32Å; I262-L264 PolarHBondContact O-N 3.29Å; I262-L265 PolarHBondContact O-N 3.03Å; I262-A266 WeakPolarHBondContact O-CB 3.35Å; I262-A266 PolarHBondContact O-N 3.42Å
263A93Very high90.6Very high34 Ų3437.9 Ų37.928%0.28121%0.211SC..Hα-helixtrans-61.5-42.417700000111.5P259 A266 A267 I314P259-A263 WeakPolarHBondContact O-CB 3.38Å; P259-A263 PolarHBondContact O-N 3.35Å; A263-A266 PolarHBondContact O-N 2.94Å; A263-A267 PolarHBondContact O-N 2.92Å; A263-I314 HydrophobicContact CB-CD1 4.27Å; A263-I314 HydrophobicContact CB-CG1 4.25Å; A263-I314 HydrophobicContact CB-CG2 3.86Å
264L91.4Very high90.9Very high6 Ų636.3 Ų36.33%0.03121%0.205CC..Hα-helixtrans-62.1-48.8175.8-165.864.6000111.3T115 M260 I262 A266 A267 F268 I314T115-L264 HydrophobicContact CG2-CD2 3.5Å; T115-L264 VanDerWaalsContact CG2-CD2 3.5Å; T115-L264 HydrophobicContact CG2-CG 4.05Å; M260-L264 VanDerWaalsContact O-CB 3.31Å; M260-L264 WeakPolarHBondContact O-CB 3.22Å; M260-L264 PolarHBondContact O-N 3.47Å; I262-L264 VanDerWaalsContact C-N 3.32Å; I262-L264 PolarHBondContact O-N 3.29Å; L264-A266 VanDerWaalsContact C-N 3.33Å; L264-A266 PolarHBondContact O-N 3.45Å; L264-A267 PolarHBondContact O-N 2.94Å; L264-F268 HydrophobicContact CD1-CD2 4.08Å; L264-F268 HydrophobicContact CD1-CE2 3.6Å; L264-F268 HydrophobicContact CD2-CE2 4.4Å; L264-F268 HydrophobicContact CG-CD2 3.87Å; L264-F268 HydrophobicContact CG-CE2 3.7Å; L264-F268 VanDerWaalsContact O-CD2 3.23Å; L264-F268 WeakPolarHBondContact O-CD2 3.49Å; L264-F268 PolarHBondContact O-N 3.06Å; L264-I314 HydrophobicContact CD1-CD1 4.44Å
265L92.1Very high91.2Very high20 Ų2035.9 Ų35.911%0.10520%0.204CC..Hα-helixtrans-56.3-47175171.963.7000111.4Q221 I225 L261 I262 A267 F268 L269Q221-L265 HydrophobicContact CB-CD1 3.6Å; I225-L265 HydrophobicContact CB-CD2 3.72Å; I225-L265 HydrophobicContact CG1-CB 4.24Å; I225-L265 HydrophobicContact CG1-CD2 3.58Å; I225-L265 HydrophobicContact CG1-CG 4.43Å; I225-L265 HydrophobicContact CG2-CD2 3.96Å; L261-L265 WeakPolarHBondContact O-CB 3.21Å; L261-L265 PolarHBondContact O-N 2.95Å; I262-L265 PolarHBondContact O-N 3.03Å; L265-A267 VanDerWaalsContact C-N 3.34Å; L265-A267 PolarHBondContact O-N 3.21Å; L265-F268 PolarHBondContact O-N 3.29Å; L265-L269 HydrophobicContact CD1-CD1 3.71Å; L265-L269 HydrophobicContact CD1-CD2 4.22Å; L265-L269 HydrophobicContact CD1-CG 3.66Å; L265-L269 HydrophobicContact CD2-CD1 4.26Å; L265-L269 HydrophobicContact CG-CD1 3.77Å; L265-L269 HydrophobicContact CG-CG 4.12Å; L265-L269 WeakPolarHBondContact O-CB 3.49Å; L265-L269 WeakPolarHBondContact O-CG 3.48Å; L265-L269 PolarHBondContact O-N 2.9Å
266A93.3Very high91.4Very high44 Ų4434.5 Ų34.536%0.36420%0.197SC..Hα-helixtrans-60.9-44.5-178.600000111.4I262 A263 L264 L269 I270I262-A266 WeakPolarHBondContact O-CB 3.35Å; I262-A266 PolarHBondContact O-N 3.42Å; A263-A266 PolarHBondContact O-N 2.94Å; L264-A266 VanDerWaalsContact C-N 3.33Å; L264-A266 PolarHBondContact O-N 3.45Å; A266-L269 PolarHBondContact O-N 2.89Å; A266-I270 WeakPolarHBondContact O-CB 3.26Å; A266-I270 WeakPolarHBondContact O-CD1 3.12Å; A266-I270 WeakPolarHBondContact O-CG1 3.25Å; A266-I270 PolarHBondContact O-N 2.87Å
267A92.7Very high91.6Very high19 Ų1933.2 Ų33.216%0.15720%0.196CC..Hα-helixtrans-61.6-46.417700000111.8A263 L264 L265 I270 A271 N307 V310 I314A263-A267 PolarHBondContact O-N 2.92Å; L264-A267 PolarHBondContact O-N 2.94Å; L265-A267 VanDerWaalsContact C-N 3.34Å; L265-A267 PolarHBondContact O-N 3.21Å; A267-I270 PolarHBondContact O-N 3.1Å; A267-A271 PolarHBondContact O-N 3.39Å; A267-A271 VanDerWaalsContact O-N 3.09Å; A267-N307 WeakPolarHBondContact CB-OD1 3.26Å; A267-N307 PolarHBondContact O-OD1 3.3Å; A267-V310 HydrophobicContact CB-CG1 3.99Å; A267-I314 HydrophobicContact CB-CD1 4.22Å
268F90.4Very high91.8Very high2 Ų233.4 Ų33.41%0.00920%0.195CC..Hα-helixtrans-62.9-43.9175.7-83.4-70.6000112.5I112 T115 L264 L265 I270 A271 E272 N307I112-F268 HydrophobicContact CG1-CD1 3.81Å; I112-F268 HydrophobicContact CG1-CE1 3.86Å; T115-F268 HydrophobicContact CG2-CD2 4.06Å; T115-F268 HydrophobicContact CG2-CE2 3.46Å; T115-F268 VanDerWaalsContact CG2-CE2 3.46Å; T115-F268 HydrophobicContact CG2-CZ 4.03Å; L264-F268 HydrophobicContact CD1-CD2 4.08Å; L264-F268 HydrophobicContact CD1-CE2 3.6Å; L264-F268 HydrophobicContact CD2-CE2 4.4Å; L264-F268 HydrophobicContact CG-CD2 3.87Å; L264-F268 HydrophobicContact CG-CE2 3.7Å; L264-F268 VanDerWaalsContact O-CD2 3.23Å; L264-F268 WeakPolarHBondContact O-CD2 3.49Å; L264-F268 PolarHBondContact O-N 3.06Å; L265-F268 PolarHBondContact O-N 3.29Å; F268-I270 VanDerWaalsContact C-N 3.35Å; F268-I270 PolarHBondContact O-N 3.11Å; F268-A271 PolarHBondContact O-N 3.34Å; F268-E272 HydrophobicContact CD1-CG 3.91Å; F268-E272 WeakPolarHBondContact O-CA 3.29Å; F268-E272 WeakPolarHBondContact O-CB 3.43Å; F268-E272 WeakPolarHBondContact O-CG 3.43Å; F268-E272 PolarHBondContact O-N 2.87Å; F268-N307 WeakPolarHBondContact CD1-ND2 3.36Å; F268-N307 WeakPolarHBondContact CE1-ND2 3.34Å; F268-N307 PolarHBondContact N-OD1 2.94Å
269L92.1Very high91.8Very high44 Ų4434 Ų3423%0.2320%0.197CC..Hα-helixtrans-64.3-39.7178.5-73.3177.3000112.1C218 L265 A266 L273 P274C218-L269 HydrophobicContact CB-CD2 3.62Å; L265-L269 HydrophobicContact CD1-CD1 3.71Å; L265-L269 HydrophobicContact CD1-CD2 4.22Å; L265-L269 HydrophobicContact CD1-CG 3.66Å; L265-L269 HydrophobicContact CD2-CD1 4.26Å; L265-L269 HydrophobicContact CG-CD1 3.77Å; L265-L269 HydrophobicContact CG-CG 4.12Å; L265-L269 WeakPolarHBondContact O-CB 3.49Å; L265-L269 WeakPolarHBondContact O-CG 3.48Å; L265-L269 PolarHBondContact O-N 2.9Å; A266-L269 PolarHBondContact O-N 2.89Å; L269-L273 HydrophobicContact CD2-CD2 4.48Å; L269-L273 WeakPolarHBondContact O-CB 3.47Å; L269-L273 PolarHBondContact O-N 3.34Å; L269-P274 WeakPolarHBondContact O-CD 3.39Å
270I93Very high91.7Very high119 Ų11933 Ų3361%0.6119%0.188SC*.Hα-helixtrans-66.5-40.4179.9-70.7165.5000110.9A266 A267 F268 P274A266-I270 WeakPolarHBondContact O-CB 3.26Å; A266-I270 WeakPolarHBondContact O-CD1 3.12Å; A266-I270 WeakPolarHBondContact O-CG1 3.25Å; A266-I270 PolarHBondContact O-N 2.87Å; A267-I270 PolarHBondContact O-N 3.1Å; F268-I270 VanDerWaalsContact C-N 3.35Å; F268-I270 PolarHBondContact O-N 3.11Å; I270-P274 WeakPolarHBondContact O-CD 3.13Å; I270-P274 WeakPolarHBondContact O-CG 3.18Å
271A93.1Very high91.4Very high3 Ų332.8 Ų32.83%0.02519%0.188CC..Hα-helixtrans-84.6-44.8-17700000113.6A267 F268 Q275 L303 N307A267-A271 PolarHBondContact O-N 3.39Å; A267-A271 VanDerWaalsContact O-N 3.09Å; F268-A271 PolarHBondContact O-N 3.34Å; A271-Q275 WeakPolarHBondContact O-CG 3.24Å; A271-L303 HydrophobicContact CB-CB 4.13Å; A271-L303 WeakPolarHBondContact CB-O 3.32Å; A271-N307 HydrophobicContact CB-CB 3.6Å
272E92.1Very high91.3Very high1 Ų133 Ų331%0.00519%0.19CC..Hα-helixtrans-97.5-29.7-163.8-55.8-62.1160.500113.6I112 K214 F268 Q275 G276 S304I112-E272 HydrophobicContact CD1-CB 4.08Å; I112-E272 HydrophobicContact CD1-CG 3.73Å; I112-E272 HydrophobicContact CG1-CG 4.2Å; K214-E272 HydrophobicContact CD-CB 4.23Å; K214-E272 WeakPolarHBondContact CD-OE2 3.27Å; K214-E272 WeakPolarHBondContact CE-OE2 3.3Å; K214-E272 IonicContact NZ-OE2 2.97Å; K214-E272 PolarHBondContact NZ-OE2 3.05Å; F268-E272 HydrophobicContact CD1-CG 3.91Å; F268-E272 WeakPolarHBondContact O-CA 3.29Å; F268-E272 WeakPolarHBondContact O-CB 3.43Å; F268-E272 WeakPolarHBondContact O-CG 3.43Å; F268-E272 PolarHBondContact O-N 2.87Å; E272-Q275 PolarHBondContact O-N 2.92Å; E272-Q275 PolarHBondContact OE2-OE1 2.85Å; E272-G276 PolarHBondContact O-N 3.37Å; E272-S304 VanDerWaalsContact CD-OG 3.3Å; E272-S304 PolarHBondContact OE1-OG 3.37Å; E272-S304 PolarHBondContact OE2-OG 3.46Å
273L91.5Very high90.6Very high56 Ų5631.1 Ų31.129%0.29319%0.185SC..Hα-helixtrans-66.2-45-179.9-172.866.2000112V215 C218 L269 Q275 G276 L277V215-L273 HydrophobicContact CG2-CD1 4.47Å; C218-L273 HydrophobicContact CB-CD1 4.06Å; L269-L273 HydrophobicContact CD2-CD2 4.48Å; L269-L273 WeakPolarHBondContact O-CB 3.47Å; L269-L273 PolarHBondContact O-N 3.34Å; L273-Q275 VanDerWaalsContact C-N 3.28Å; L273-Q275 PolarHBondContact O-N 3.05Å; L273-G276 PolarHBondContact O-N 3.4Å; L273-L277 HydrophobicContact CD1-CG 4.49Å; L273-L277 HydrophobicContact CG-CD1 4.23Å; L273-L277 HydrophobicContact CG-CG 4.48Å; L273-L277 WeakPolarHBondContact O-CG 3.39Å; L273-L277 PolarHBondContact O-N 3.05Å
274P92.9Very high90Very high48 Ų4834.5 Ų34.531%0.31220%0.197SC..Hα-helixtrans-57.4-42.8175.4-25.436.1000112.1L269 I270 L277 L278 M300L269-P274 WeakPolarHBondContact O-CD 3.39Å; I270-P274 WeakPolarHBondContact O-CD 3.13Å; I270-P274 WeakPolarHBondContact O-CG 3.18Å; P274-L277 PolarHBondContact O-N 2.88Å; P274-L278 WeakPolarHBondContact O-CB 3.42Å; P274-L278 VanDerWaalsContact O-CG 3.27Å; P274-L278 WeakPolarHBondContact O-CG 3.43Å; P274-L278 PolarHBondContact O-N 3.19Å; P274-M300 HydrophobicContact CB-CE 4.41Å; P274-M300 HydrophobicContact CB-SD 4.03Å
275Q91.9Very high89.6Confident19 Ų1940.2 Ų40.29%0.08922%0.222CC..Hα-helixtrans-60.7-46.5176.3-66.5-175.31.400112.9A271 E272 L273 L277 L278 L279 M300 S304A271-Q275 WeakPolarHBondContact O-CG 3.24Å; E272-Q275 PolarHBondContact O-N 2.92Å; E272-Q275 PolarHBondContact OE2-OE1 2.85Å; L273-Q275 VanDerWaalsContact C-N 3.28Å; L273-Q275 PolarHBondContact O-N 3.05Å; Q275-L277 VanDerWaalsContact C-N 3.31Å; Q275-L277 PolarHBondContact O-N 3.45Å; Q275-L278 PolarHBondContact O-N 3.35Å; Q275-L279 PolarHBondContact O-N 3.18Å; Q275-M300 HydrophobicContact CG-CB 3.72Å; Q275-M300 HydrophobicContact CG-CG 3.9Å; Q275-M300 HydrophobicContact CG-SD 3.73Å; Q275-M300 PolarHBondContact NE2-O 2.88Å; Q275-S304 PolarHBondContact NE2-OG 2.79Å; Q275-S304 PolarHBondContact OE1-OG 3.35Å
276G91.6Very high88.9Confident0 Ų048.2 Ų48.20%026%0.256CS..Hα-helixtrans-58.8-42.7176.900000112.5E272 L273 L279 M280E272-G276 PolarHBondContact O-N 3.37Å; L273-G276 PolarHBondContact O-N 3.4Å; G276-L279 PolarHBondContact O-N 3.09Å; G276-M280 WeakPolarHBondContact O-CG 3.25Å; G276-M280 PolarHBondContact O-N 3.2Å; G276-M280 VanDerWaalsContact O-N 3.12Å
277L91.2Very high88.3Confident96 Ų9649.6 Ų49.650%0.50326%0.257SS..Hα-helixtrans-68.8-38.1177.4-66.2176000112.4V215 L273 P274 Q275 M280 G281V215-L277 HydrophobicContact CG2-CD2 4.41Å; L273-L277 HydrophobicContact CD1-CG 4.49Å; L273-L277 HydrophobicContact CG-CD1 4.23Å; L273-L277 HydrophobicContact CG-CG 4.48Å; L273-L277 WeakPolarHBondContact O-CG 3.39Å; L273-L277 PolarHBondContact O-N 3.05Å; P274-L277 PolarHBondContact O-N 2.88Å; Q275-L277 VanDerWaalsContact C-N 3.31Å; Q275-L277 PolarHBondContact O-N 3.45Å; L277-M280 HydrophobicContact CD2-SD 4.38Å; L277-M280 PolarHBondContact O-N 3.38Å; L277-G281 PolarHBondContact O-N 2.84Å
278L91.5Very high87.9Confident28 Ų2850.2 Ų50.215%0.14726%0.257CS..Hα-helixtrans-63.4-42.5174.5-71.9173.1000111.4P274 Q275 M280 G281 T282 F288 V292 Y293 S296 M300P274-L278 WeakPolarHBondContact O-CB 3.42Å; P274-L278 VanDerWaalsContact O-CG 3.27Å; P274-L278 WeakPolarHBondContact O-CG 3.43Å; P274-L278 PolarHBondContact O-N 3.19Å; Q275-L278 PolarHBondContact O-N 3.35Å; L278-M280 VanDerWaalsContact C-N 3.32Å; L278-M280 PolarHBondContact O-N 3.41Å; L278-G281 WeakPolarHBondContact O-CA 3.43Å; L278-G281 PolarHBondContact O-N 2.97Å; L278-G281 VanDerWaalsContact O-N 3.09Å; L278-T282 WeakPolarHBondContact O-CG2 3.23Å; L278-T282 PolarHBondContact O-N 3.01Å; L278-F288 HydrophobicContact CD2-CE1 4.1Å; L278-F288 HydrophobicContact CD2-CZ 3.72Å; L278-F288 VanDerWaalsContact O-CE1 3.31Å; L278-F288 WeakPolarHBondContact O-CE1 3.34Å; L278-V292 HydrophobicContact CD2-CG1 4.16Å; L278-Y293 HydrophobicContact CB-CD2 4.04Å; L278-S296 WeakPolarHBondContact CD1-OG 3.34Å; L278-M300 HydrophobicContact CD1-CE 3.85Å; L278-M300 HydrophobicContact CD1-CG 3.63Å; L278-M300 HydrophobicContact CD1-SD 3.8Å
279L90.2Very high87.6Confident18 Ų1853.4 Ų53.49%0.09427%0.269CS..Hα-helixtrans-58.2-43.6173.4-81.4167.5000111.7F206 Q275 G276 G281 T282 Y293F206-L279 HydrophobicContact CB-CD2 4.35Å; F206-L279 HydrophobicContact CG-CD2 4.44Å; Q275-L279 PolarHBondContact O-N 3.18Å; G276-L279 PolarHBondContact O-N 3.09Å; L279-G281 VanDerWaalsContact C-N 3.32Å; L279-G281 PolarHBondContact O-N 3.24Å; L279-T282 WeakPolarHBondContact O-CB 3.17Å; L279-T282 PolarHBondContact O-N 3.19Å; L279-T282 PolarHBondContact O-OG1 3.16Å; L279-Y293 HydrophobicContact CD2-CD2 4.49Å; L279-Y293 HydrophobicContact CD2-CE2 3.55Å; L279-Y293 WeakPolarHBondContact CD2-OH 3.45Å; L279-Y293 HydrophobicContact CG-CE2 3.76Å
280M87.1Confident87.2Confident47 Ų4754.2 Ų54.223%0.23228%0.276CS..Hα-helixtrans-63.1-37.2173.8-67.8177.468.300112.3W207 I211 V215 G276 L277 L278 T282 A283W207-M280 PolarHBondContact NE1-O 3.05Å; I211-M280 HydrophobicContact CD1-CE 4.29Å; I211-M280 HydrophobicContact CG1-CE 4.13Å; I211-M280 HydrophobicContact CG1-CG 3.99Å; I211-M280 HydrophobicContact CG1-SD 3.91Å; V215-M280 HydrophobicContact CB-SD 4.47Å; V215-M280 HydrophobicContact CG2-SD 3.75Å; G276-M280 WeakPolarHBondContact O-CG 3.25Å; G276-M280 PolarHBondContact O-N 3.2Å; G276-M280 VanDerWaalsContact O-N 3.12Å; L277-M280 HydrophobicContact CD2-SD 4.38Å; L277-M280 PolarHBondContact O-N 3.38Å; L278-M280 VanDerWaalsContact C-N 3.32Å; L278-M280 PolarHBondContact O-N 3.41Å; M280-T282 PolarHBondContact O-N 3.32Å; M280-A283 PolarHBondContact O-N 3.4Å
281G86.5Confident86.8Confident5 Ų552 Ų525%0.05226%0.261CS..Hα-helixtrans-58.1-29.3175.400000113.5L277 L278 L279 A283 L284 F285L277-G281 PolarHBondContact O-N 2.84Å; L278-G281 WeakPolarHBondContact O-CA 3.43Å; L278-G281 PolarHBondContact O-N 2.97Å; L278-G281 VanDerWaalsContact O-N 3.09Å; L279-G281 VanDerWaalsContact C-N 3.32Å; L279-G281 PolarHBondContact O-N 3.24Å; G281-A283 VanDerWaalsContact C-N 3.32Å; G281-A283 PolarHBondContact O-N 3.4Å; G281-L284 PolarHBondContact O-N 2.92Å; G281-F285 PolarHBondContact O-N 3.39Å
282T86.2Confident86.6Confident13 Ų1352.2 Ų52.28%0.0826%0.263CS..Hα-helixtrans-63.7-28.2-175.567.80000115.1F206 L278 L279 M280 F288 R289 Y293F206-T282 HydrophobicContact CD2-CG2 4.49Å; L278-T282 WeakPolarHBondContact O-CG2 3.23Å; L278-T282 PolarHBondContact O-N 3.01Å; L279-T282 WeakPolarHBondContact O-CB 3.17Å; L279-T282 PolarHBondContact O-N 3.19Å; L279-T282 PolarHBondContact O-OG1 3.16Å; M280-T282 PolarHBondContact O-N 3.32Å; T282-F288 HydrophobicContact CG2-CD1 4.29Å; T282-R289 HydrophobicContact CG2-CB 4.35Å; T282-Y293 HydrophobicContact CG2-CD1 4.21Å; T282-Y293 HydrophobicContact CG2-CD2 3.94Å; T282-Y293 HydrophobicContact CG2-CG 3.7Å
283A78.2Confident86.4Confident32 Ų3255.5 Ų55.526%0.26428%0.275SS..Hα-helixtrans-101.7-12.1174.100000114.7K203 W207 M280 G281K203-A283 HydrophobicContact CB-CB 3.7Å; K203-A283 HydrophobicContact CD-CB 4.38Å; K203-A283 HydrophobicContact CG-CB 3.82Å; W207-A283 HydrophobicContact CD2-CB 4.34Å; W207-A283 HydrophobicContact CG-CB 4.1Å; W207-A283 HydrophobicContact CZ2-CB 4.25Å; M280-A283 PolarHBondContact O-N 3.4Å; G281-A283 VanDerWaalsContact C-N 3.32Å; G281-A283 PolarHBondContact O-N 3.4Å
284L82Confident86.1Confident104 Ų10457.1 Ų57.155%0.54528%0.281SS..Hα-helixtrans-77-39.5175.1-71.2175.7000112.1W207 G281W207-L284 HydrophobicContact CH2-CD2 3.75Å; W207-L284 HydrophobicContact CH2-CG 4.33Å; W207-L284 HydrophobicContact CZ2-CD2 3.41Å; W207-L284 VanDerWaalsContact CZ2-CD2 3.41Å; W207-L284 HydrophobicContact CZ2-CG 3.57Å; G281-L284 PolarHBondContact O-N 2.92Å
285F81.4Confident85.9Confident126 Ų12657 Ų5755%0.55328%0.276SS*.SBendtrans-121.5128.7-167-60.8-70.7000111.4G281 F288G281-F285 PolarHBondContact O-N 3.39Å; F285-F288 HydrophobicContact CB-CB 3.63Å; F285-F288 HydrophobicContact CB-CD2 4.27Å; F285-F288 HydrophobicContact CB-CG 4.22Å; F285-F288 HydrophobicContact CD2-CD2 4.18Å; F285-F288 WeakPolarHBondContact O-CB 3.32Å; F285-F288 PolarHBondContact O-N 2.97Å
286K77.1Confident85.8Confident188 Ų18857 Ų5782%0.81728%0.278SS*.THydrogen-bonded Turntrans-59.6139.1172.4-167.7174.8178.8178.80109.5F288K286-F288 PolarHBondContact O-N 3.41Å
287D80.7Confident85.8Confident73 Ų7357.8 Ų57.839%0.3929%0.286SS..THydrogen-bonded Turntrans63-3.8-175.8-49.7-21.1000116.8R289 T290 K291D287-R289 PolarHBondContact O-N 3.38Å; D287-T290 PolarHBondContact O-N 3.14Å; D287-T290 VanDerWaalsContact O-N 3.11Å; D287-T290 PolarHBondContact O-OG1 3.15Å; D287-T290 VanDerWaalsContact O-OG1 3.1Å; D287-K291 HydrophobicContact CB-CD 3.78Å; D287-K291 HydrophobicContact CB-CG 4.12Å; D287-K291 WeakPolarHBondContact O-CB 3.12Å; D287-K291 PolarHBondContact O-N 3.07Å; D287-K291 IonicContact OD2-NZ 3.54Å; D287-K291 PolarHBondContact OD2-NZ 3.47Å
288F84.9Confident85.8Confident33 Ų3354.7 Ų54.715%0.14527%0.272CS..Hα-helixtrans-61.5-34.1-177.6-175.1-85.8000112.6L278 T282 F285 K286 T290 V292 Y293L278-F288 HydrophobicContact CD2-CE1 4.1Å; L278-F288 HydrophobicContact CD2-CZ 3.72Å; L278-F288 VanDerWaalsContact O-CE1 3.31Å; L278-F288 WeakPolarHBondContact O-CE1 3.34Å; T282-F288 HydrophobicContact CG2-CD1 4.29Å; F285-F288 HydrophobicContact CB-CB 3.63Å; F285-F288 HydrophobicContact CB-CD2 4.27Å; F285-F288 HydrophobicContact CB-CG 4.22Å; F285-F288 HydrophobicContact CD2-CD2 4.18Å; F285-F288 WeakPolarHBondContact O-CB 3.32Å; F285-F288 PolarHBondContact O-N 2.97Å; K286-F288 PolarHBondContact O-N 3.41Å; F288-T290 PolarHBondContact O-N 3.41Å; F288-V292 HydrophobicContact CD1-CB 4.42Å; F288-V292 HydrophobicContact CD2-CB 4.02Å; F288-V292 HydrophobicContact CD2-CG1 4.5Å; F288-V292 HydrophobicContact CD2-CG2 3.91Å; F288-V292 HydrophobicContact CE1-CB 4.29Å; F288-V292 HydrophobicContact CE1-CG1 4.35Å; F288-V292 HydrophobicContact CE2-CB 3.9Å; F288-V292 HydrophobicContact CE2-CG1 3.87Å; F288-V292 HydrophobicContact CE2-CG2 4.01Å; F288-V292 HydrophobicContact CG-CB 4.29Å; F288-V292 HydrophobicContact CG-CG2 4.48Å; F288-V292 HydrophobicContact CZ-CB 4.04Å; F288-V292 HydrophobicContact CZ-CG1 3.79Å; F288-V292 WeakPolarHBondContact O-CA 3.24Å; F288-V292 WeakPolarHBondContact O-CB 3.38Å; F288-V292 PolarHBondContact O-N 3.26Å; F288-Y293 PolarHBondContact O-N 2.79Å
289R83.9Confident85.9Confident69 Ų6956.5 Ų56.526%0.2628%0.279SS..Iπ-helixtrans-55.7-50.1173.9-178.6178.8169.8-86.9-7.2111.8T282 D287 Y293 Q294T282-R289 HydrophobicContact CG2-CB 4.35Å; D287-R289 PolarHBondContact O-N 3.38Å; R289-Y293 WeakPolarHBondContact O-CB 3.43Å; R289-Q294 WeakPolarHBondContact O-CB 3.39Å; R289-Q294 WeakPolarHBondContact O-CG 3.47Å; R289-Q294 PolarHBondContact O-N 3.22Å
290T83.8Confident86.1Confident61 Ų6156.9 Ų56.937%0.37428%0.28SS..Iπ-helixtrans-84.7-37.9-172.951.90000112.6D287 F288D287-T290 PolarHBondContact O-N 3.14Å; D287-T290 VanDerWaalsContact O-N 3.11Å; D287-T290 PolarHBondContact O-OG1 3.15Å; D287-T290 VanDerWaalsContact O-OG1 3.1Å; F288-T290 PolarHBondContact O-N 3.41Å
291K85Confident86.4Confident71 Ų7157.8 Ų57.831%0.30929%0.286SS..Iπ-helixtrans-86.6-20.8-175.7-66.2-178.3178.9160.10114.4Y7 D287 K295Y7-K291 HydrophobicContact CD1-CB 3.8Å; Y7-K291 HydrophobicContact CD1-CD 4.22Å; Y7-K291 HydrophobicContact CD2-CD 3.97Å; Y7-K291 HydrophobicContact CE1-CB 3.83Å; Y7-K291 HydrophobicContact CE1-CD 4.13Å; Y7-K291 HydrophobicContact CE2-CD 3.86Å; Y7-K291 HydrophobicContact CG-CB 4.41Å; Y7-K291 HydrophobicContact CG-CD 4.16Å; D287-K291 HydrophobicContact CB-CD 3.78Å; D287-K291 HydrophobicContact CB-CG 4.12Å; D287-K291 WeakPolarHBondContact O-CB 3.12Å; D287-K291 PolarHBondContact O-N 3.07Å; D287-K291 IonicContact OD2-NZ 3.54Å; D287-K291 PolarHBondContact OD2-NZ 3.47Å; K291-K295 WeakPolarHBondContact O-CD 3.5Å
292V88.8Confident86.8Confident9 Ų958.1 Ų58.16%0.05529%0.287CS..Iπ-helixtrans-128.5-61.3-175.6-1730000111.2F6 Y7 L278 F288 Q294 K295 S296F6-V292 HydrophobicContact CE1-CG2 3.92Å; Y7-V292 HydrophobicContact CD1-CG2 4.24Å; Y7-V292 HydrophobicContact CE1-CG2 3.84Å; L278-V292 HydrophobicContact CD2-CG1 4.16Å; F288-V292 HydrophobicContact CD1-CB 4.42Å; F288-V292 HydrophobicContact CD2-CB 4.02Å; F288-V292 HydrophobicContact CD2-CG1 4.5Å; F288-V292 HydrophobicContact CD2-CG2 3.91Å; F288-V292 HydrophobicContact CE1-CB 4.29Å; F288-V292 HydrophobicContact CE1-CG1 4.35Å; F288-V292 HydrophobicContact CE2-CB 3.9Å; F288-V292 HydrophobicContact CE2-CG1 3.87Å; F288-V292 HydrophobicContact CE2-CG2 4.01Å; F288-V292 HydrophobicContact CG-CB 4.29Å; F288-V292 HydrophobicContact CG-CG2 4.48Å; F288-V292 HydrophobicContact CZ-CB 4.04Å; F288-V292 HydrophobicContact CZ-CG1 3.79Å; F288-V292 WeakPolarHBondContact O-CA 3.24Å; F288-V292 WeakPolarHBondContact O-CB 3.38Å; F288-V292 PolarHBondContact O-N 3.26Å; V292-Q294 PolarHBondContact O-N 3.23Å; V292-K295 PolarHBondContact O-N 2.85Å; V292-S296 WeakPolarHBondContact O-CB 3.25Å; V292-S296 PolarHBondContact O-N 3.11Å; V292-S296 PolarHBondContact O-OG 3.07Å
293Y87.7Confident87.2Confident69 Ų6959.1 Ų59.127%0.27129%0.292SS..Iπ-helixtrans-58-55.7-173.1175.3-97.5000112.1L278 L279 T282 F288 R289 K295 S296 G297L278-Y293 HydrophobicContact CB-CD2 4.04Å; L279-Y293 HydrophobicContact CD2-CD2 4.49Å; L279-Y293 HydrophobicContact CD2-CE2 3.55Å; L279-Y293 WeakPolarHBondContact CD2-OH 3.45Å; L279-Y293 HydrophobicContact CG-CE2 3.76Å; T282-Y293 HydrophobicContact CG2-CD1 4.21Å; T282-Y293 HydrophobicContact CG2-CD2 3.94Å; T282-Y293 HydrophobicContact CG2-CG 3.7Å; F288-Y293 PolarHBondContact O-N 2.79Å; R289-Y293 WeakPolarHBondContact O-CB 3.43Å; Y293-K295 VanDerWaalsContact C-N 3.28Å; Y293-K295 PolarHBondContact O-N 3.11Å; Y293-S296 PolarHBondContact O-N 2.99Å; Y293-S296 PolarHBondContact O-OG 2.78Å; Y293-G297 PolarHBondContact O-N 3.18Å
294Q86.3Confident88Confident90 Ų9057.7 Ų57.742%0.42128%0.28SS..Hα-helixtrans-60.2-37.8179-76.8-178.9-37.200112.6R289 V292 G297R289-Q294 WeakPolarHBondContact O-CB 3.39Å; R289-Q294 WeakPolarHBondContact O-CG 3.47Å; R289-Q294 PolarHBondContact O-N 3.22Å; V292-Q294 PolarHBondContact O-N 3.23Å; Q294-G297 PolarHBondContact O-N 3.36Å
295K89Confident88.6Confident45 Ų4552.9 Ų52.920%0.19625%0.254CS..Hα-helixtrans-71.8-36.2-178.6-55-156.4168.6-178.30112.7V10 D11 Q14 K291 V292 Y293V10-K295 HydrophobicContact CG1-CB 3.56Å; V10-K295 HydrophobicContact CG1-CD 4.04Å; V10-K295 HydrophobicContact CG1-CG 4.31Å; D11-K295 WeakPolarHBondContact OD1-CD 3.45Å; D11-K295 VanDerWaalsContact OD1-CE 3.32Å; D11-K295 WeakPolarHBondContact OD1-CE 3.48Å; D11-K295 IonicContact OD1-NZ 3.45Å; D11-K295 PolarHBondContact OD1-NZ 3.33Å; D11-K295 IonicContact OD2-NZ 2.86Å; D11-K295 PolarHBondContact OD2-NZ 2.94Å; Q14-K295 HydrophobicContact CB-CB 4.24Å; Q14-K295 HydrophobicContact CG-CB 4.31Å; K291-K295 WeakPolarHBondContact O-CD 3.5Å; V292-K295 PolarHBondContact O-N 2.85Å; Y293-K295 VanDerWaalsContact C-N 3.28Å; Y293-K295 PolarHBondContact O-N 3.11Å
296S89.7Confident89.3Confident19 Ų1950.6 Ų50.613%0.13325%0.248CC..Hα-helixtrans-83-14.8176.767.10000113.9L278 V292 Y293 F299 M300L278-S296 WeakPolarHBondContact CD1-OG 3.34Å; V292-S296 WeakPolarHBondContact O-CB 3.25Å; V292-S296 PolarHBondContact O-N 3.11Å; V292-S296 PolarHBondContact O-OG 3.07Å; Y293-S296 PolarHBondContact O-N 2.99Å; Y293-S296 PolarHBondContact O-OG 2.78Å; S296-F299 PolarHBondContact O-N 3.33Å; S296-F299 VanDerWaalsContact O-N 3.11Å; S296-M300 WeakPolarHBondContact O-CG 3.4Å; S296-M300 PolarHBondContact O-N 3.46Å
297G90.8Very high90.1Very high17 Ų1741.9 Ų41.918%0.17521%0.21CC..Hα-helixtrans-50.2-53.6-174.500000114.1Y293 Q294 F299 M300 D301Y293-G297 PolarHBondContact O-N 3.18Å; Q294-G297 PolarHBondContact O-N 3.36Å; G297-F299 VanDerWaalsContact C-N 3.28Å; G297-F299 PolarHBondContact O-N 3.35Å; G297-M300 WeakPolarHBondContact O-CA 3.44Å; G297-M300 WeakPolarHBondContact O-CB 3.2Å; G297-M300 PolarHBondContact O-N 3.25Å; G297-M300 VanDerWaalsContact O-N 3.08Å; G297-D301 PolarHBondContact O-N 3.44Å
298P91.9Very high90.6Very high31 Ų3138.4 Ų38.420%0.20119%0.191CC..Hα-helixtrans-58.1-39.4179.2-27.736.2000113.3Y17 H21 D301 L302Y17-P298 HydrophobicContact CD1-CB 4.2Å; Y17-P298 HydrophobicContact CE1-CB 3.84Å; H21-P298 PolarHBondContact CE1-O 2.86Å; H21-P298 PolarHBondContact ND1-O 3.39Å; P298-D301 PolarHBondContact O-N 2.77Å; P298-L302 PolarHBondContact O-N 3.09Å; P298-L302 VanDerWaalsContact O-N 3.13Å
299F93.9Very high90.9Very high67 Ų6737.4 Ų37.429%0.29419%0.189SC..Hα-helixtrans-69.5-39.8178.3176.9-105.6000111.5F13 Y17 S296 G297 L302 L303F13-F299 HydrophobicContact CE1-CB 3.97Å; F13-F299 HydrophobicContact CE1-CD2 4.44Å; F13-F299 HydrophobicContact CE1-CG 4.1Å; F13-F299 HydrophobicContact CZ-CB 4.26Å; F13-F299 AromaticContact CZ-CD2 3.88Å; F13-F299 HydrophobicContact CZ-CD2 3.88Å; F13-F299 HydrophobicContact CZ-CE2 4.39Å; F13-F299 AromaticContact CZ-CG 3.97Å; F13-F299 HydrophobicContact CZ-CG 3.97Å; Y17-F299 HydrophobicContact CD1-CB 4.21Å; Y17-F299 HydrophobicContact CE1-CB 3.88Å; Y17-F299 HydrophobicContact CE2-CD2 4.07Å; S296-F299 PolarHBondContact O-N 3.33Å; S296-F299 VanDerWaalsContact O-N 3.11Å; G297-F299 VanDerWaalsContact C-N 3.28Å; G297-F299 PolarHBondContact O-N 3.35Å; F299-L302 PolarHBondContact O-N 3.42Å; F299-L303 HydrophobicContact CD1-CD1 4.36Å; F299-L303 HydrophobicContact CE1-CD1 3.8Å; F299-L303 HydrophobicContact CE1-CG 4.23Å; F299-L303 HydrophobicContact CZ-CD1 4.23Å; F299-L303 HydrophobicContact CZ-CD2 4.23Å; F299-L303 HydrophobicContact CZ-CG 4.29Å; F299-L303 PolarHBondContact O-N 3.12Å; F299-L303 VanDerWaalsContact O-N 3.17Å
300M93.4Very high91.3Very high25 Ų2536.6 Ų36.612%0.12319%0.192CC..Hα-helixtrans-59.9-48.8173.4-75.6-51.913000111.6P274 Q275 L278 S296 G297 L302 L303 S304P274-M300 HydrophobicContact CB-CE 4.41Å; P274-M300 HydrophobicContact CB-SD 4.03Å; Q275-M300 HydrophobicContact CG-CB 3.72Å; Q275-M300 HydrophobicContact CG-CG 3.9Å; Q275-M300 HydrophobicContact CG-SD 3.73Å; Q275-M300 PolarHBondContact NE2-O 2.88Å; L278-M300 HydrophobicContact CD1-CE 3.85Å; L278-M300 HydrophobicContact CD1-CG 3.63Å; L278-M300 HydrophobicContact CD1-SD 3.8Å; S296-M300 WeakPolarHBondContact O-CG 3.4Å; S296-M300 PolarHBondContact O-N 3.46Å; G297-M300 WeakPolarHBondContact O-CA 3.44Å; G297-M300 WeakPolarHBondContact O-CB 3.2Å; G297-M300 PolarHBondContact O-N 3.25Å; G297-M300 VanDerWaalsContact O-N 3.08Å; M300-L302 VanDerWaalsContact C-N 3.26Å; M300-L302 PolarHBondContact O-N 3.46Å; M300-L303 HydrophobicContact CE-CD1 4.35Å; M300-L303 WeakPolarHBondContact O-CB 3.41Å; M300-L303 PolarHBondContact O-N 3.35Å; M300-L303 HydrophobicContact SD-CD1 4.19Å; M300-S304 PolarHBondContact O-N 3.01Å; M300-S304 VanDerWaalsContact O-N 3.11Å
301D93.7Very high91.6Very high67 Ų6733.7 Ų33.736%0.35817%0.174SC..Hα-helixtrans-55.7-44177.8-69.5-9.7000111.1Y71 G297 P298 L303 S304 L305Y71-D301 HydrophobicContact CE2-CB 3.86Å; Y71-D301 WeakPolarHBondContact OH-CB 3.25Å; Y71-D301 PolarHBondContact OH-OD2 2.81Å; Y71-D301 VanDerWaalsContact OH-OD2 3.09Å; G297-D301 PolarHBondContact O-N 3.44Å; P298-D301 PolarHBondContact O-N 2.77Å; D301-L303 VanDerWaalsContact C-N 3.3Å; D301-L303 PolarHBondContact O-N 3.23Å; D301-S304 WeakPolarHBondContact O-CB 2.95Å; D301-S304 PolarHBondContact O-N 3.34Å; D301-S304 VanDerWaalsContact O-N 3.13Å; D301-L305 VanDerWaalsContact O-CG 3.28Å; D301-L305 WeakPolarHBondContact O-CG 3.45Å; D301-L305 PolarHBondContact O-N 3.29Å
302L94.5Very high91.9Very high11 Ų1131.7 Ų31.76%0.05817%0.165CC..Hα-helixtrans-58-40.9175.317968.9000112.5Y17 L24 V28 P298 F299 M300 L305 L306Y17-L302 HydrophobicContact CE2-CD2 4.14Å; Y17-L302 WeakPolarHBondContact OH-CB 3.49Å; Y17-L302 WeakPolarHBondContact OH-CD2 3.32Å; L24-L302 HydrophobicContact CD2-CD1 4.44Å; L24-L302 HydrophobicContact CD2-CD2 3.51Å; L24-L302 HydrophobicContact CG-CD1 4.11Å; L24-L302 HydrophobicContact CG-CD2 4.1Å; V28-L302 HydrophobicContact CG2-CD1 4.1Å; P298-L302 PolarHBondContact O-N 3.09Å; P298-L302 VanDerWaalsContact O-N 3.13Å; F299-L302 PolarHBondContact O-N 3.42Å; M300-L302 VanDerWaalsContact C-N 3.26Å; M300-L302 PolarHBondContact O-N 3.46Å; L302-L305 PolarHBondContact O-N 3.01Å; L302-L306 HydrophobicContact CD1-CD1 4.46Å; L302-L306 HydrophobicContact CD1-CG 4.34Å; L302-L306 HydrophobicContact CD2-CD1 4.47Å; L302-L306 HydrophobicContact CG-CD1 4.05Å; L302-L306 HydrophobicContact CG-CG 4.37Å; L302-L306 WeakPolarHBondContact O-CB 3.33Å; L302-L306 WeakPolarHBondContact O-CG 3.28Å; L302-L306 PolarHBondContact O-N 3.29Å
303L95.2Very high92.1Very high35 Ų3535 Ų3518%0.18319%0.185CC..Hα-helixtrans-62.2-42.9176.4-67.5178.3000111.7A271 F299 M300 D301 L305 L306 N307A271-L303 HydrophobicContact CB-CB 4.13Å; A271-L303 WeakPolarHBondContact CB-O 3.32Å; F299-L303 HydrophobicContact CD1-CD1 4.36Å; F299-L303 HydrophobicContact CE1-CD1 3.8Å; F299-L303 HydrophobicContact CE1-CG 4.23Å; F299-L303 HydrophobicContact CZ-CD1 4.23Å; F299-L303 HydrophobicContact CZ-CD2 4.23Å; F299-L303 HydrophobicContact CZ-CG 4.29Å; F299-L303 PolarHBondContact O-N 3.12Å; F299-L303 VanDerWaalsContact O-N 3.17Å; M300-L303 HydrophobicContact CE-CD1 4.35Å; M300-L303 WeakPolarHBondContact O-CB 3.41Å; M300-L303 PolarHBondContact O-N 3.35Å; M300-L303 HydrophobicContact SD-CD1 4.19Å; D301-L303 VanDerWaalsContact C-N 3.3Å; D301-L303 PolarHBondContact O-N 3.23Å; L303-L305 VanDerWaalsContact C-N 3.33Å; L303-L305 PolarHBondContact O-N 3.5Å; L303-L306 PolarHBondContact O-N 2.68Å; L303-N307 WeakPolarHBondContact O-CB 3.49Å; L303-N307 PolarHBondContact O-N 3.02Å
304S94.1Very high92.3Very high2 Ų232.3 Ų32.31%0.01418%0.176CC..Hα-helixtrans-62.8-40.2174.5-81.60000112E272 Q275 M300 D301 N307 S308E272-S304 VanDerWaalsContact CD-OG 3.3Å; E272-S304 PolarHBondContact OE1-OG 3.37Å; E272-S304 PolarHBondContact OE2-OG 3.46Å; Q275-S304 PolarHBondContact NE2-OG 2.79Å; Q275-S304 PolarHBondContact OE1-OG 3.35Å; M300-S304 PolarHBondContact O-N 3.01Å; M300-S304 VanDerWaalsContact O-N 3.11Å; D301-S304 WeakPolarHBondContact O-CB 2.95Å; D301-S304 PolarHBondContact O-N 3.34Å; D301-S304 VanDerWaalsContact O-N 3.13Å; S304-N307 WeakPolarHBondContact O-CB 3.39Å; S304-N307 PolarHBondContact O-N 3.47Å; S304-S308 PolarHBondContact O-N 3.38Å; S304-S308 PolarHBondContact O-OG 3.06Å
305L95.4Very high92.5Very high2 Ų228 Ų281%0.0116%0.155CC..Hα-helixtrans-64.1-47.4175.8-64.6170.7000111.1V28 V67 M68 Y71 D301 L302 L303 N307 S308 A309V28-L305 HydrophobicContact CG1-CB 4.01Å; V67-L305 HydrophobicContact CG1-CD2 4.22Å; M68-L305 VanDerWaalsContact CE-C 3.43Å; M68-L305 HydrophobicContact CE-CB 3.65Å; M68-L305 HydrophobicContact CE-CD2 3.63Å; M68-L305 HydrophobicContact CE-CG 4.24Å; M68-L305 WeakPolarHBondContact CE-O 3.44Å; M68-L305 HydrophobicContact SD-CB 4.34Å; M68-L305 HydrophobicContact SD-CD2 3.59Å; M68-L305 VanDerWaalsContact SD-CD2 3.59Å; Y71-L305 HydrophobicContact CD1-CD1 3.52Å; Y71-L305 HydrophobicContact CD1-CD2 4.38Å; Y71-L305 HydrophobicContact CD2-CD1 4.26Å; Y71-L305 HydrophobicContact CD2-CD2 4.25Å; Y71-L305 HydrophobicContact CE1-CD1 3.52Å; Y71-L305 HydrophobicContact CE2-CD1 4.26Å; Y71-L305 HydrophobicContact CG-CD1 3.91Å; Y71-L305 HydrophobicContact CG-CD2 3.97Å; D301-L305 VanDerWaalsContact O-CG 3.28Å; D301-L305 WeakPolarHBondContact O-CG 3.45Å; D301-L305 PolarHBondContact O-N 3.29Å; L302-L305 PolarHBondContact O-N 3.01Å; L303-L305 VanDerWaalsContact C-N 3.33Å; L303-L305 PolarHBondContact O-N 3.5Å; L305-N307 PolarHBondContact O-N 3.17Å; L305-S308 PolarHBondContact O-N 3.23Å; L305-S308 VanDerWaalsContact O-N 3.09Å; L305-A309 WeakPolarHBondContact O-CB 3.43Å; L305-A309 PolarHBondContact O-N 3.46Å
306L94.9Very high92.6Very high79 Ų7927.3 Ų27.341%0.41416%0.155SC..Hα-helixtrans-57.9-39176.3-74.1169.6000112V28 L302 L303 A309 V310V28-L306 HydrophobicContact CG1-CD2 4.01Å; V28-L306 HydrophobicContact CG1-CG 4.39Å; V28-L306 HydrophobicContact CG2-CD2 3.81Å; L302-L306 HydrophobicContact CD1-CD1 4.46Å; L302-L306 HydrophobicContact CD1-CG 4.34Å; L302-L306 HydrophobicContact CD2-CD1 4.47Å; L302-L306 HydrophobicContact CG-CD1 4.05Å; L302-L306 HydrophobicContact CG-CG 4.37Å; L302-L306 WeakPolarHBondContact O-CB 3.33Å; L302-L306 WeakPolarHBondContact O-CG 3.28Å; L302-L306 PolarHBondContact O-N 3.29Å; L303-L306 PolarHBondContact O-N 2.68Å; L306-A309 PolarHBondContact O-N 3.35Å; L306-V310 WeakPolarHBondContact O-CB 3.27Å; L306-V310 PolarHBondContact O-N 2.93Å
307N93.6Very high92.6Very high5 Ų529.9 Ų29.93%0.02717%0.173CC..Hα-helixtrans-62.8-44.9174.3177.454.5000112.3A267 F268 A271 L303 S304 L305 A309 V310 T311A267-N307 WeakPolarHBondContact CB-OD1 3.26Å; A267-N307 PolarHBondContact O-OD1 3.3Å; F268-N307 WeakPolarHBondContact CD1-ND2 3.36Å; F268-N307 WeakPolarHBondContact CE1-ND2 3.34Å; F268-N307 PolarHBondContact N-OD1 2.94Å; A271-N307 HydrophobicContact CB-CB 3.6Å; L303-N307 WeakPolarHBondContact O-CB 3.49Å; L303-N307 PolarHBondContact O-N 3.02Å; S304-N307 WeakPolarHBondContact O-CB 3.39Å; S304-N307 PolarHBondContact O-N 3.47Å; L305-N307 PolarHBondContact O-N 3.17Å; N307-A309 VanDerWaalsContact C-N 3.26Å; N307-A309 PolarHBondContact O-N 2.83Å; N307-V310 WeakPolarHBondContact O-CG1 3.37Å; N307-V310 PolarHBondContact O-N 2.93Å; N307-T311 PolarHBondContact O-OG1 3.35Å
308S92.2Very high92.4Very high0 Ų030.7 Ų30.70%017%0.174CC..Hα-helixtrans-66.3-25.6174.7-720000113.1N36 D64 S304 L305 T311N36-S308 PolarHBondContact ND2-O 2.97Å; D64-S308 VanDerWaalsContact CG-OG 3.31Å; D64-S308 WeakPolarHBondContact OD1-CB 3.35Å; D64-S308 PolarHBondContact OD1-OG 2.81Å; S304-S308 PolarHBondContact O-N 3.38Å; S304-S308 PolarHBondContact O-OG 3.06Å; L305-S308 PolarHBondContact O-N 3.23Å; L305-S308 VanDerWaalsContact O-N 3.09Å; S308-T311 PolarHBondContact O-OG1 2.98Å
309A92.2Very high92.2Very high12 Ų1230.4 Ų30.410%0.09917%0.173CC..Hα-helixtrans-84.4-33.3177.900000113.8V28 M68 L305 L306 N307 T311V28-A309 HydrophobicContact CG1-CB 4.23Å; M68-A309 HydrophobicContact CE-CB 4.41Å; L305-A309 WeakPolarHBondContact O-CB 3.43Å; L305-A309 PolarHBondContact O-N 3.46Å; L306-A309 PolarHBondContact O-N 3.35Å; N307-A309 VanDerWaalsContact C-N 3.26Å; N307-A309 PolarHBondContact O-N 2.83Å; A309-T311 PolarHBondContact O-N 3.03Å
310V92.2Very high91.9Very high51 Ų5130.2 Ų30.231%0.30918%0.177SC..Hα-helixtrans-71.2-14.9-175.478.30000113.2A267 L306 N307 F312 V313 I314A267-V310 HydrophobicContact CB-CG1 3.99Å; L306-V310 WeakPolarHBondContact O-CB 3.27Å; L306-V310 PolarHBondContact O-N 2.93Å; N307-V310 WeakPolarHBondContact O-CG1 3.37Å; N307-V310 PolarHBondContact O-N 2.93Å; V310-F312 VanDerWaalsContact C-N 3.31Å; V310-F312 PolarHBondContact O-N 3.05Å; V310-V313 HydrophobicContact CG2-CB 4.17Å; V310-V313 WeakPolarHBondContact O-CA 3.35Å; V310-V313 WeakPolarHBondContact O-CB 3.46Å; V310-V313 PolarHBondContact O-N 3.36Å; V310-I314 HydrophobicContact CG1-CD1 3.84Å; V310-I314 HydrophobicContact CG1-CG1 4.44Å; V310-I314 HydrophobicContact CG2-CG1 4.34Å; V310-I314 PolarHBondContact O-N 3.42Å
311T89.5Confident91.7Very high0 Ų032.5 Ų32.50%019%0.193CC..Hα-helixtrans-47.1-47.4179.6-61.10000113.3N307 S308 A309 V313 I314 Y315N307-T311 PolarHBondContact O-OG1 3.35Å; S308-T311 PolarHBondContact O-OG1 2.98Å; A309-T311 PolarHBondContact O-N 3.03Å; T311-V313 PolarHBondContact O-N 2.85Å; T311-I314 PolarHBondContact O-N 3.34Å; T311-Y315 HydrophobicContact CG2-CD1 4.38Å; T311-Y315 HydrophobicContact CG2-CD2 3.99Å; T311-Y315 HydrophobicContact CG2-CE1 3.72Å; T311-Y315 HydrophobicContact CG2-CE2 3.24Å; T311-Y315 WeakPolarHBondContact CG2-OH 3.45Å; T311-Y315 WeakPolarHBondContact O-CD1 3.36Å; T311-Y315 PolarHBondContact O-N 3.33Å
312F91.1Very high91.5Very high30 Ų3029.5 Ų29.513%0.13218%0.177CC..Hα-helixtrans-62.9-41.4177.1175.2-93.7000112.7L35 V38 N39 I42 V310 I314 Y315 T316 F322 F326L35-F312 HydrophobicContact CB-CB 3.84Å; L35-F312 HydrophobicContact CB-CG 4.28Å; L35-F312 HydrophobicContact CD1-CB 4.33Å; L35-F312 HydrophobicContact CD2-CB 4.31Å; L35-F312 HydrophobicContact CD2-CD1 3.67Å; L35-F312 HydrophobicContact CD2-CE1 4.06Å; L35-F312 HydrophobicContact CD2-CG 3.92Å; L35-F312 HydrophobicContact CG-CB 4.38Å; V38-F312 HydrophobicContact CB-CE2 4.36Å; V38-F312 HydrophobicContact CG1-CD2 4Å; V38-F312 HydrophobicContact CG1-CE2 3.47Å; V38-F312 VanDerWaalsContact CG1-CE2 3.47Å; V38-F312 HydrophobicContact CG1-CZ 4.35Å; N39-F312 PolarHBondContact ND2-N 3.17Å; N39-F312 WeakPolarHBondContact OD1-CA 3.43Å; N39-F312 WeakPolarHBondContact OD1-CD2 3.47Å; I42-F312 HydrophobicContact CD1-CE2 4.49Å; V310-F312 VanDerWaalsContact C-N 3.31Å; V310-F312 PolarHBondContact O-N 3.05Å; F312-I314 VanDerWaalsContact C-N 3.34Å; F312-Y315 PolarHBondContact O-N 3.06Å; F312-T316 HydrophobicContact CD1-CG2 4.14Å; F312-T316 HydrophobicContact CD2-CG2 4.22Å; F312-T316 HydrophobicContact CE1-CG2 3.67Å; F312-T316 HydrophobicContact CE2-CG2 3.72Å; F312-T316 HydrophobicContact CG-CG2 4.41Å; F312-T316 HydrophobicContact CZ-CG2 3.44Å; F312-T316 VanDerWaalsContact CZ-CG2 3.44Å; F312-T316 WeakPolarHBondContact O-CB 3.33Å; F312-T316 WeakPolarHBondContact O-CG2 3.38Å; F312-T316 PolarHBondContact O-N 3.14Å; F312-T316 PolarHBondContact O-OG1 3.01Å; F312-F322 HydrophobicContact CD2-CE1 4.16Å; F312-F322 HydrophobicContact CD2-CZ 4.11Å; F312-F322 AromaticContact CE2-CE1 3.96Å; F312-F322 HydrophobicContact CE2-CE1 3.96Å; F312-F322 HydrophobicContact CE2-CZ 4.24Å; F312-F326 HydrophobicContact CE2-CD2 4.36Å; F312-F326 HydrophobicContact CE2-CE2 4.33Å; F312-F326 HydrophobicContact CZ-CD2 4.41Å; F312-F326 HydrophobicContact CZ-CE2 4.07Å; F312-F326 HydrophobicContact CZ-CZ 4.47Å
313V92.1Very high91.4Very high78 Ų7834.4 Ų34.447%0.47320%0.195SC..Hα-helixtrans-64.1-42178.3-179.20000110.3V310 T311 T316 S317V310-V313 HydrophobicContact CG2-CB 4.17Å; V310-V313 WeakPolarHBondContact O-CA 3.35Å; V310-V313 WeakPolarHBondContact O-CB 3.46Å; V310-V313 PolarHBondContact O-N 3.36Å; T311-V313 PolarHBondContact O-N 2.85Å; V313-T316 WeakPolarHBondContact CA-OG1 3.45Å; V313-T316 PolarHBondContact O-OG1 3.27Å; V313-T316 VanDerWaalsContact O-OG1 3.12Å; V313-S317 VanDerWaalsContact O-CB 3.24Å; V313-S317 WeakPolarHBondContact O-CB 3.38Å; V313-S317 PolarHBondContact O-N 3.05Å; V313-S317 PolarHBondContact O-OG 3.28Å
314I93.2Very high91.2Very high13 Ų1341 Ų417%0.06722%0.217CC..Hα-helixtrans-61.9-46.5174.8-65.5173.9000110M260 A263 L264 A267 V310 T311 F312 S317 T318M260-I314 HydrophobicContact CG-CG2 4.23Å; A263-I314 HydrophobicContact CB-CD1 4.27Å; A263-I314 HydrophobicContact CB-CG1 4.25Å; A263-I314 HydrophobicContact CB-CG2 3.86Å; L264-I314 HydrophobicContact CD1-CD1 4.44Å; A267-I314 HydrophobicContact CB-CD1 4.22Å; V310-I314 HydrophobicContact CG1-CD1 3.84Å; V310-I314 HydrophobicContact CG1-CG1 4.44Å; V310-I314 HydrophobicContact CG2-CG1 4.34Å; V310-I314 PolarHBondContact O-N 3.42Å; T311-I314 PolarHBondContact O-N 3.34Å; F312-I314 VanDerWaalsContact C-N 3.34Å; I314-S317 PolarHBondContact O-N 3.37Å; I314-S317 PolarHBondContact O-OG 2.87Å; I314-S317 VanDerWaalsContact O-OG 3.06Å; I314-T318 HydrophobicContact CG2-CG2 4.46Å; I314-T318 WeakPolarHBondContact O-CB 3.31Å; I314-T318 WeakPolarHBondContact O-CG2 3.44Å; I314-T318 PolarHBondContact O-N 3.18Å; I314-T318 PolarHBondContact O-OG1 2.97Å
315Y90.8Very high91.1Very high0 Ų042 Ų420%022%0.223CC..Hα-helixtrans-67.7-43.9-175.7-63.6-5.3000112N39 L43 L57 M260 T311 F312 S319 F322N39-Y315 WeakPolarHBondContact OD1-CD2 3.4Å; L43-Y315 HydrophobicContact CD1-CD2 4.48Å; L43-Y315 HydrophobicContact CD1-CE2 4.05Å; L57-Y315 HydrophobicContact CB-CE2 4.39Å; L57-Y315 HydrophobicContact CD2-CE1 3.84Å; L57-Y315 WeakPolarHBondContact CD2-OH 3.16Å; M260-Y315 HydrophobicContact CE-CD1 3.21Å; M260-Y315 HydrophobicContact CE-CE1 3.32Å; M260-Y315 HydrophobicContact CE-CG 3.95Å; M260-Y315 HydrophobicContact CG-CD1 4.42Å; T311-Y315 HydrophobicContact CG2-CD1 4.38Å; T311-Y315 HydrophobicContact CG2-CD2 3.99Å; T311-Y315 HydrophobicContact CG2-CE1 3.72Å; T311-Y315 HydrophobicContact CG2-CE2 3.24Å; T311-Y315 WeakPolarHBondContact CG2-OH 3.45Å; T311-Y315 WeakPolarHBondContact O-CD1 3.36Å; T311-Y315 PolarHBondContact O-N 3.33Å; F312-Y315 PolarHBondContact O-N 3.06Å; Y315-S319 VanDerWaalsContact O-CB 3.24Å; Y315-S319 WeakPolarHBondContact O-CB 3.43Å; Y315-S319 PolarHBondContact O-N 2.86Å; Y315-F322 HydrophobicContact CD2-CD2 4.38Å; Y315-F322 AromaticContact CD2-CE2 3.9Å; Y315-F322 HydrophobicContact CD2-CE2 3.9Å; Y315-F322 HydrophobicContact CD2-CZ 4.34Å; Y315-F322 HydrophobicContact CG-CE2 4.41Å
316T89.9Confident90.9Very high29 Ų2944.3 Ų44.318%0.17823%0.233CC..Hα-helixtrans-65.7-42.8176.548.20000112.3F312 V313 F322 R323F312-T316 HydrophobicContact CD1-CG2 4.14Å; F312-T316 HydrophobicContact CD2-CG2 4.22Å; F312-T316 HydrophobicContact CE1-CG2 3.67Å; F312-T316 HydrophobicContact CE2-CG2 3.72Å; F312-T316 HydrophobicContact CG-CG2 4.41Å; F312-T316 HydrophobicContact CZ-CG2 3.44Å; F312-T316 VanDerWaalsContact CZ-CG2 3.44Å; F312-T316 WeakPolarHBondContact O-CB 3.33Å; F312-T316 WeakPolarHBondContact O-CG2 3.38Å; F312-T316 PolarHBondContact O-N 3.14Å; F312-T316 PolarHBondContact O-OG1 3.01Å; V313-T316 WeakPolarHBondContact CA-OG1 3.45Å; V313-T316 PolarHBondContact O-OG1 3.27Å; V313-T316 VanDerWaalsContact O-OG1 3.12Å; T316-F322 HydrophobicContact CG2-CD1 3.85Å; T316-F322 HydrophobicContact CG2-CE1 3.56Å; T316-R323 WeakPolarHBondContact O-CD 3.48Å; T316-R323 WeakPolarHBondContact O-CG 3.46Å; T316-R323 PolarHBondContact O-NE 3.43Å
317S89.3Confident90.8Very high74 Ų7444.8 Ų44.852%0.51724%0.235SC..Hα-helixtrans-69.3-41.3-179.959.10000112.9V313 I314V313-S317 VanDerWaalsContact O-CB 3.24Å; V313-S317 WeakPolarHBondContact O-CB 3.38Å; V313-S317 PolarHBondContact O-N 3.05Å; V313-S317 PolarHBondContact O-OG 3.28Å; I314-S317 PolarHBondContact O-N 3.37Å; I314-S317 PolarHBondContact O-OG 2.87Å; I314-S317 VanDerWaalsContact O-OG 3.06Å
318T87.4Confident90.7Very high33 Ų3349.7 Ų49.720%0.20227%0.266CS..Hα-helixtrans-96.5-28.3-170.263.90000114.5P259 M260 I314P259-T318 HydrophobicContact CB-CG2 4.41Å; M260-T318 WeakPolarHBondContact CA-OG1 3.29Å; M260-T318 HydrophobicContact CB-CG2 4.47Å; M260-T318 WeakPolarHBondContact CB-OG1 3.34Å; M260-T318 WeakPolarHBondContact CG-OG1 3.39Å; I314-T318 HydrophobicContact CG2-CG2 4.46Å; I314-T318 WeakPolarHBondContact O-CB 3.31Å; I314-T318 WeakPolarHBondContact O-CG2 3.44Å; I314-T318 PolarHBondContact O-N 3.18Å; I314-T318 PolarHBondContact O-OG1 2.97Å
319S88.7Confident90.6Very high25 Ų2550.5 Ų50.518%0.17527%0.271CS..  trans-104.2109.8-174.1-178.80000112.7Y315 T321 F322 R323Y315-S319 VanDerWaalsContact O-CB 3.24Å; Y315-S319 WeakPolarHBondContact O-CB 3.43Å; Y315-S319 PolarHBondContact O-N 2.86Å; S319-T321 VanDerWaalsContact C-N 3.26Å; S319-T321 PolarHBondContact O-N 3.11Å; S319-F322 PolarHBondContact O-N 3.43Å; S319-F322 WeakPolarHBondContact OG-CB 3.46Å; S319-F322 PolarHBondContact OG-N 3.1Å; S319-F322 VanDerWaalsContact OG-N 3.17Å; S319-R323 PolarHBondContact O-N 3.45Å; S319-R323 VanDerWaalsContact O-N 3.11Å
320T87.6Confident90.5Very high63 Ų6352.1 Ų52.139%0.38728%0.276SS..Hα-helixtrans-62.4-34.9172.952.90000112.4R324T320-R324 WeakPolarHBondContact O-CG 3.48Å; T320-R324 PolarHBondContact O-N 3.4Å; T320-R324 VanDerWaalsContact O-N 3.11Å
321T88Confident90.2Very high74 Ų7453.7 Ų53.745%0.45428%0.28SS..Hα-helixtrans-69.2-42.7179.7-55.60000110.5S319 R324 V325S319-T321 VanDerWaalsContact C-N 3.26Å; S319-T321 PolarHBondContact O-N 3.11Å; T321-R324 PolarHBondContact O-N 3.1Å; T321-V325 WeakPolarHBondContact O-CG2 3.4Å; T321-V325 PolarHBondContact O-N 3.07Å; T321-V325 VanDerWaalsContact O-N 3.13Å
322F89.5Confident90Very high3 Ų357.2 Ų57.21%0.01330%0.304CS..Hα-helixtrans-59.6-49.4175.9-171.7-84.6000111N39 I42 L43 M48 F312 Y315 T316 S319 R324 V325 F326N39-F322 VanDerWaalsContact OD1-CZ 3.24Å; N39-F322 WeakPolarHBondContact OD1-CZ 3.42Å; I42-F322 HydrophobicContact CB-CD2 4.49Å; I42-F322 HydrophobicContact CB-CE2 3.92Å; I42-F322 HydrophobicContact CB-CZ 4.11Å; I42-F322 HydrophobicContact CD1-CE1 3.64Å; I42-F322 HydrophobicContact CD1-CE2 4.07Å; I42-F322 HydrophobicContact CD1-CZ 3.37Å; I42-F322 HydrophobicContact CG1-CZ 4.37Å; I42-F322 HydrophobicContact CG2-CD1 4.48Å; I42-F322 HydrophobicContact CG2-CD2 3.6Å; I42-F322 HydrophobicContact CG2-CE1 4.39Å; I42-F322 HydrophobicContact CG2-CE2 3.51Å; I42-F322 HydrophobicContact CG2-CG 4.1Å; I42-F322 HydrophobicContact CG2-CZ 3.94Å; L43-F322 HydrophobicContact CD2-CD2 4Å; L43-F322 HydrophobicContact CD2-CE2 4.11Å; L43-F322 HydrophobicContact CG-CD2 4.49Å; L43-F322 HydrophobicContact CG-CE2 4.11Å; M48-F322 HydrophobicContact CE-CB 4.46Å; M48-F322 HydrophobicContact CE-CD2 4.2Å; F312-F322 HydrophobicContact CD2-CE1 4.16Å; F312-F322 HydrophobicContact CD2-CZ 4.11Å; F312-F322 AromaticContact CE2-CE1 3.96Å; F312-F322 HydrophobicContact CE2-CE1 3.96Å; F312-F322 HydrophobicContact CE2-CZ 4.24Å; Y315-F322 HydrophobicContact CD2-CD2 4.38Å; Y315-F322 AromaticContact CD2-CE2 3.9Å; Y315-F322 HydrophobicContact CD2-CE2 3.9Å; Y315-F322 HydrophobicContact CD2-CZ 4.34Å; Y315-F322 HydrophobicContact CG-CE2 4.41Å; T316-F322 HydrophobicContact CG2-CD1 3.85Å; T316-F322 HydrophobicContact CG2-CE1 3.56Å; S319-F322 PolarHBondContact O-N 3.43Å; S319-F322 WeakPolarHBondContact OG-CB 3.46Å; S319-F322 PolarHBondContact OG-N 3.1Å; S319-F322 VanDerWaalsContact OG-N 3.17Å; F322-R324 PolarHBondContact O-N 3.04Å; F322-V325 PolarHBondContact O-N 3.27Å; F322-F326 WeakPolarHBondContact O-CB 3.44Å; F322-F326 PolarHBondContact O-N 2.89Å
323R92.3Very high89.6Confident115 Ų11563.1 Ų63.143%0.43433%0.33SS..Hα-helixtrans-56.9-43.6176.8-75.1-173.8-77.2177.1-3.9113.6T316 S319 V325 F326 L327T316-R323 WeakPolarHBondContact O-CD 3.48Å; T316-R323 WeakPolarHBondContact O-CG 3.46Å; T316-R323 PolarHBondContact O-NE 3.43Å; S319-R323 PolarHBondContact O-N 3.45Å; S319-R323 VanDerWaalsContact O-N 3.11Å; R323-V325 PolarHBondContact O-N 2.96Å; R323-F326 PolarHBondContact O-N 3.12Å; R323-L327 WeakPolarHBondContact O-CG 3.1Å; R323-L327 PolarHBondContact O-N 2.97Å
324R92Very high88.9Confident173 Ų17367.1 Ų67.165%0.65334%0.341SS*.Hα-helixtrans-61.1-45.8178.1-74.2174.1-172.3168.6-0.1111.4T320 T321 F322 L327 T328T320-R324 WeakPolarHBondContact O-CG 3.48Å; T320-R324 PolarHBondContact O-N 3.4Å; T320-R324 VanDerWaalsContact O-N 3.11Å; T321-R324 PolarHBondContact O-N 3.1Å; F322-R324 PolarHBondContact O-N 3.04Å; R324-L327 PolarHBondContact O-N 3.29Å; R324-T328 PolarHBondContact O-N 2.91Å; R324-T328 PolarHBondContact O-OG1 3.45Å
325V91.3Very high87.8Confident23 Ų2375.9 Ų75.914%0.13937%0.373CS..Hα-helixtrans-68.6-40.9179.2178.70000111I42 R45 M48 T321 F322 R323 L327 T328 V329I42-V325 HydrophobicContact CG2-CB 4.09Å; I42-V325 HydrophobicContact CG2-CG1 3.9Å; R45-V325 HydrophobicContact CB-CG1 4.14Å; R45-V325 HydrophobicContact CG-CG1 3.87Å; M48-V325 HydrophobicContact CG-CG1 4.49Å; M48-V325 HydrophobicContact CG-CG2 3.95Å; M48-V325 HydrophobicContact SD-CB 3.82Å; M48-V325 HydrophobicContact SD-CG1 3.9Å; M48-V325 HydrophobicContact SD-CG2 3.75Å; T321-V325 WeakPolarHBondContact O-CG2 3.4Å; T321-V325 PolarHBondContact O-N 3.07Å; T321-V325 VanDerWaalsContact O-N 3.13Å; F322-V325 PolarHBondContact O-N 3.27Å; R323-V325 PolarHBondContact O-N 2.96Å; V325-L327 PolarHBondContact O-N 2.92Å; V325-T328 PolarHBondContact O-N 3.08Å; V325-V329 HydrophobicContact CG1-CG2 4.17Å; V325-V329 WeakPolarHBondContact O-CB 3.28Å; V325-V329 VanDerWaalsContact O-CG2 3.28Å; V325-V329 WeakPolarHBondContact O-CG2 3.18Å; V325-V329 PolarHBondContact O-N 2.7Å
326F91.9Very high85.7Confident51 Ų5184 Ų8422%0.22443%0.427CS..Hα-helixtrans-52.9-52.8172.2173.3-103.7000111.3V38 I42 F312 F322 R323 T328 V329 F330V38-F326 HydrophobicContact CG1-CD2 4.27Å; V38-F326 HydrophobicContact CG1-CE2 4.22Å; I42-F326 HydrophobicContact CD1-CB 3.97Å; I42-F326 HydrophobicContact CD1-CD2 3.72Å; I42-F326 HydrophobicContact CD1-CG 4.33Å; F312-F326 HydrophobicContact CE2-CD2 4.36Å; F312-F326 HydrophobicContact CE2-CE2 4.33Å; F312-F326 HydrophobicContact CZ-CD2 4.41Å; F312-F326 HydrophobicContact CZ-CE2 4.07Å; F312-F326 HydrophobicContact CZ-CZ 4.47Å; F322-F326 WeakPolarHBondContact O-CB 3.44Å; F322-F326 PolarHBondContact O-N 2.89Å; R323-F326 PolarHBondContact O-N 3.12Å; F326-T328 PolarHBondContact O-N 2.85Å; F326-V329 PolarHBondContact O-N 3.15Å; F326-F330 AromaticContact CD2-CD2 3.44Å; F326-F330 HydrophobicContact CD2-CD2 3.44Å; F326-F330 VanDerWaalsContact CD2-CD2 3.44Å; F326-F330 AromaticContact CD2-CE2 3.95Å; F326-F330 HydrophobicContact CD2-CE2 3.95Å; F326-F330 HydrophobicContact CD2-CG 4.27Å; F326-F330 HydrophobicContact CE2-CB 4.26Å; F326-F330 AromaticContact CE2-CD2 3.59Å; F326-F330 HydrophobicContact CE2-CD2 3.59Å; F326-F330 HydrophobicContact CE2-CE2 4.15Å; F326-F330 HydrophobicContact CE2-CG 4.01Å; F326-F330 HydrophobicContact CG-CD2 4.33Å; F326-F330 HydrophobicContact CZ-CB 4.46Å; F326-F330 WeakPolarHBondContact O-CD2 3.36Å; F326-F330 PolarHBondContact O-N 3.13Å
327L91.7Very high85.5Confident88 Ų8886.7 Ų86.746%0.46144%0.44SS..Hα-helixtrans-62-44.5178.1-69172.9000111.6R323 R324 V325 V329 M331R323-L327 WeakPolarHBondContact O-CG 3.1Å; R323-L327 PolarHBondContact O-N 2.97Å; R324-L327 PolarHBondContact O-N 3.29Å; V325-L327 PolarHBondContact O-N 2.92Å; L327-V329 PolarHBondContact O-N 3.41Å; L327-M331 WeakPolarHBondContact O-CA 3.46Å; L327-M331 WeakPolarHBondContact O-CB 3.31Å; L327-M331 PolarHBondContact O-N 3.41Å
328T91.7Very high85.3Confident109 Ų10987.4 Ų87.467%0.66944%0.436SS*.Hα-helixtrans-61-33.5177.6-57.10000112.9R324 V325 F326R324-T328 PolarHBondContact O-N 2.91Å; R324-T328 PolarHBondContact O-OG1 3.45Å; V325-T328 PolarHBondContact O-N 3.08Å; F326-T328 PolarHBondContact O-N 2.85Å
329V90Very high85.2Confident17 Ų1790.4 Ų90.410%0.10345%0.449CS..Hα-helixtrans-83.2-44.9-178.2173.10000112.1V41 R45 V325 F326 L327 F333V41-V329 HydrophobicContact CG1-CG1 4.3Å; R45-V329 HydrophobicContact CG-CG2 4.21Å; V325-V329 HydrophobicContact CG1-CG2 4.17Å; V325-V329 WeakPolarHBondContact O-CB 3.28Å; V325-V329 VanDerWaalsContact O-CG2 3.28Å; V325-V329 WeakPolarHBondContact O-CG2 3.18Å; V325-V329 PolarHBondContact O-N 2.7Å; F326-V329 PolarHBondContact O-N 3.15Å; L327-V329 PolarHBondContact O-N 3.41Å; V329-F333 WeakPolarHBondContact O-CD2 3.34Å; V329-F333 WeakPolarHBondContact O-CE2 3.4Å
330F89.8Confident85Confident46 Ų4694.2 Ų94.220%0.20247%0.465CS..Hα-helixtrans-99.8-24.7-169.9-70-81.7000114.1V38 I42 F326 P332 F333 F334V38-F330 HydrophobicContact CB-CZ 4.44Å; V38-F330 HydrophobicContact CG1-CE2 3.82Å; V38-F330 HydrophobicContact CG1-CZ 3.98Å; V38-F330 HydrophobicContact CG2-CZ 4Å; I42-F330 HydrophobicContact CD1-CE2 4.2Å; I42-F330 HydrophobicContact CG1-CE2 4.13Å; F326-F330 AromaticContact CD2-CD2 3.44Å; F326-F330 HydrophobicContact CD2-CD2 3.44Å; F326-F330 VanDerWaalsContact CD2-CD2 3.44Å; F326-F330 AromaticContact CD2-CE2 3.95Å; F326-F330 HydrophobicContact CD2-CE2 3.95Å; F326-F330 HydrophobicContact CD2-CG 4.27Å; F326-F330 HydrophobicContact CE2-CB 4.26Å; F326-F330 AromaticContact CE2-CD2 3.59Å; F326-F330 HydrophobicContact CE2-CD2 3.59Å; F326-F330 HydrophobicContact CE2-CE2 4.15Å; F326-F330 HydrophobicContact CE2-CG 4.01Å; F326-F330 HydrophobicContact CG-CD2 4.33Å; F326-F330 HydrophobicContact CZ-CB 4.46Å; F326-F330 WeakPolarHBondContact O-CD2 3.36Å; F326-F330 PolarHBondContact O-N 3.13Å; F330-P332 VanDerWaalsContact C-CD 3.4Å; F330-P332 VanDerWaalsContact C-N 3.31Å; F330-F333 WeakPolarHBondContact O-CB 3.41Å; F330-F333 PolarHBondContact O-N 3.43Å; F330-F334 HydrophobicContact CB-CD2 4.46Å; F330-F334 HydrophobicContact CB-CE2 4.09Å; F330-F334 VanDerWaalsContact O-CD2 3.22Å; F330-F334 WeakPolarHBondContact O-CD2 3.48Å; F330-F334 PolarHBondContact O-N 2.75Å
331M85.7Confident84.8Confident83 Ų8396.2 Ų96.241%0.40947%0.47SS..Hα-helixtrans-57.5-35.2178.3-171.2-175.9-114.100113.8L327 F333 F334 R335L327-M331 WeakPolarHBondContact O-CA 3.46Å; L327-M331 WeakPolarHBondContact O-CB 3.31Å; L327-M331 PolarHBondContact O-N 3.41Å; M331-F333 VanDerWaalsContact C-N 3.25Å; M331-F333 PolarHBondContact O-N 2.72Å; M331-F334 PolarHBondContact O-N 2.99Å; M331-R335 HydrophobicContact CG-CG 4.48Å; M331-R335 PolarHBondContact O-N 2.98Å
332P86.3Confident84.6Confident75 Ų7597.7 Ų97.749%0.48747%0.471SS..Hα-helixtrans-59.9-33173-25.436000113.8F330F330-P332 VanDerWaalsContact C-CD 3.4Å; F330-P332 VanDerWaalsContact C-N 3.31Å
333F82.4Confident84.2Confident154 Ų154104.4 Ų104.468%0.67550%0.504SS*.Hα-helixtrans-74.5-24.6178.6-67.2-87.5000113.2V329 F330 M331V329-F333 WeakPolarHBondContact O-CD2 3.34Å; V329-F333 WeakPolarHBondContact O-CE2 3.4Å; F330-F333 WeakPolarHBondContact O-CB 3.41Å; F330-F333 PolarHBondContact O-N 3.43Å; M331-F333 VanDerWaalsContact C-N 3.25Å; M331-F333 PolarHBondContact O-N 2.72Å
334F76.8Confident83.6Confident161 Ų161103.6 Ų103.671%0.70651%0.509SS*.Hα-helixtrans-90-8.3177.6-69.1-70.8000113.7F330 M331F330-F334 HydrophobicContact CB-CD2 4.46Å; F330-F334 HydrophobicContact CB-CE2 4.09Å; F330-F334 VanDerWaalsContact O-CD2 3.22Å; F330-F334 WeakPolarHBondContact O-CD2 3.48Å; F330-F334 PolarHBondContact O-N 2.75Å; M331-F334 PolarHBondContact O-N 2.99Å
335R70.9Confident82.9Confident198 Ų19897.8 Ų97.875%0.74750%0.497SS*.  trans-97.4-3.6178.7-76.9-173.5175-167.8-2113.4M331M331-R335 HydrophobicContact CG-CG 4.48Å; M331-R335 PolarHBondContact O-N 2.98Å
336C46.5Very low82.1Confident169 Ų169104.6 Ų104.6100%1.14253%0.529SS*.  trans-90.40162.4-66.50000108.1

Retrieved 336 of 336 residues in 234.9 ms (Link to these results)

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