A0A087Y396_POEFO Loading...

Patched domain containing 4

AlphaFold DB , UniProt , Accession A0A087Y396, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 628 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
1M42.8Very low74.5Confident192 Ų19284.9 Ų84.995%0.94646%0.462SS*.  0-24.90-86.2-144.8168.300114S3M1-S3 VanDerWaalsContact C-N 3.26Å; M1-S3 PolarHBondContact O-N 3.17Å; M1-S3 VanDerWaalsContact O-N 3.14Å
2L48.5Very low76Confident156 Ų15683.8 Ų83.882%0.81746%0.46SS*.THydrogen-bonded Turntrans-62.6-15.1-176.6-79.9111.4000116.9
3S59.6Low77.3Confident39 Ų3982.8 Ų82.827%0.27345%0.453SS..THydrogen-bonded Turntrans-107.7-0.5-17459.10000115.6M1 G5 E6 V7M1-S3 VanDerWaalsContact C-N 3.26Å; M1-S3 PolarHBondContact O-N 3.17Å; M1-S3 VanDerWaalsContact O-N 3.14Å; S3-G5 VanDerWaalsContact C-N 3.31Å; S3-G5 PolarHBondContact O-N 3.26Å; S3-E6 PolarHBondContact O-N 3.21Å; S3-V7 WeakPolarHBondContact O-CG2 3.44Å; S3-V7 PolarHBondContact O-N 3.43Å; S3-V7 VanDerWaalsContact O-N 3.17Å
4K72.1Confident78.3Confident145 Ų14576.9 Ų76.963%0.6342%0.42SS*.Hα-helixtrans-62.7-38.1-175.2-70.8-171.8176.8-171.80112.5L8K4-L8 PolarHBondContact O-N 3.26Å
5G80.3Confident79.3Confident45 Ų4574.3 Ų74.346%0.46441%0.406SS..Hα-helixtrans-63.5-50.8177.100000112S3 V7 L8 V9S3-G5 VanDerWaalsContact C-N 3.31Å; S3-G5 PolarHBondContact O-N 3.26Å; G5-V7 VanDerWaalsContact C-N 3.34Å; G5-V7 PolarHBondContact O-N 3.31Å; G5-L8 WeakPolarHBondContact O-CB 3.44Å; G5-L8 PolarHBondContact O-N 3.24Å; G5-L8 VanDerWaalsContact O-N 3.1Å; G5-V9 WeakPolarHBondContact O-CG2 3.45Å; G5-V9 PolarHBondContact O-N 3.12Å
6E83.1Confident80.2Confident57 Ų5775.6 Ų75.627%0.26641%0.411SS..Hα-helixtrans-63.8-36.3-177.3-57.6-51.7145.900113.3S3 V9 S10 P544 F547 V548S3-E6 PolarHBondContact O-N 3.21Å; E6-V9 PolarHBondContact O-N 3.19Å; E6-S10 WeakPolarHBondContact O-CB 3.42Å; E6-S10 PolarHBondContact O-N 3.5Å; E6-P544 HydrophobicContact CB-CB 4.09Å; E6-P544 WeakPolarHBondContact O-CB 3.38Å; E6-F547 HydrophobicContact CG-CB 4.48Å; E6-V548 HydrophobicContact CB-CG2 3.93Å; E6-V548 HydrophobicContact CG-CG2 3.79Å
7V80.9Confident81Confident63 Ų6372.1 Ų72.138%0.38240%0.395SS..Hα-helixtrans-67.2-38.3174.8175.60000111.3S3 G5 S10 L11S3-V7 WeakPolarHBondContact O-CG2 3.44Å; S3-V7 PolarHBondContact O-N 3.43Å; S3-V7 VanDerWaalsContact O-N 3.17Å; G5-V7 VanDerWaalsContact C-N 3.34Å; G5-V7 PolarHBondContact O-N 3.31Å; V7-S10 WeakPolarHBondContact O-CB 3.44Å; V7-S10 PolarHBondContact O-N 3.12Å; V7-L11 PolarHBondContact O-N 2.96Å
8L86.1Confident81.6Confident110 Ų11068.1 Ų68.158%0.57637%0.373SS*.Hα-helixtrans-67.5-42.1175.5-175.967.1000111.3K4 G5 S10 L11 V12K4-L8 PolarHBondContact O-N 3.26Å; G5-L8 WeakPolarHBondContact O-CB 3.44Å; G5-L8 PolarHBondContact O-N 3.24Å; G5-L8 VanDerWaalsContact O-N 3.1Å; L8-S10 VanDerWaalsContact C-N 3.33Å; L8-S10 PolarHBondContact O-N 3.1Å; L8-L11 PolarHBondContact O-N 3.4Å; L8-V12 WeakPolarHBondContact O-CG2 3.11Å; L8-V12 PolarHBondContact O-N 2.97Å
9V89.3Confident82.2Confident69 Ų6966.5 Ų66.542%0.41837%0.366SS..Hα-helixtrans-59.6-46.4174.5172.30000110.2G5 E6 L11 V12 L13 P544G5-V9 WeakPolarHBondContact O-CG2 3.45Å; G5-V9 PolarHBondContact O-N 3.12Å; E6-V9 PolarHBondContact O-N 3.19Å; V9-L11 PolarHBondContact O-N 3.48Å; V9-V12 PolarHBondContact O-N 3.09Å; V9-L13 HydrophobicContact CG1-CD1 3.83Å; V9-L13 HydrophobicContact CG1-CG 4.25Å; V9-L13 WeakPolarHBondContact O-CB 3.27Å; V9-L13 VanDerWaalsContact O-CG 3.26Å; V9-L13 WeakPolarHBondContact O-CG 3.46Å; V9-L13 PolarHBondContact O-N 2.9Å; V9-P544 HydrophobicContact CB-CG 4.5Å; V9-P544 HydrophobicContact CG1-CG 4.03Å
10S88.7Confident82.6Confident4 Ų469.4 Ų69.43%0.02838%0.38CS..Hα-helixtrans-54.7-50.2174.5170.20000111.6E6 V7 L8 V12 L13 V14 G541E6-S10 WeakPolarHBondContact O-CB 3.42Å; E6-S10 PolarHBondContact O-N 3.5Å; V7-S10 WeakPolarHBondContact O-CB 3.44Å; V7-S10 PolarHBondContact O-N 3.12Å; L8-S10 VanDerWaalsContact C-N 3.33Å; L8-S10 PolarHBondContact O-N 3.1Å; S10-V12 PolarHBondContact O-N 3.39Å; S10-L13 PolarHBondContact O-N 2.64Å; S10-V14 VanDerWaalsContact O-CG2 3.29Å; S10-V14 WeakPolarHBondContact O-CG2 3.38Å; S10-V14 PolarHBondContact O-N 3.42Å; S10-G541 WeakPolarHBondContact CB-O 3.36Å; S10-G541 PolarHBondContact OG-O 3.48Å
11L88.8Confident82.9Confident54 Ų5467.1 Ų67.128%0.28337%0.369SS..Hα-helixtrans-59.1-46.8178.8178.861.4000112.1V7 L8 V9 V14 L15 V39 C43V7-L11 PolarHBondContact O-N 2.96Å; L8-L11 PolarHBondContact O-N 3.4Å; V9-L11 PolarHBondContact O-N 3.48Å; L11-V14 PolarHBondContact O-N 2.99Å; L11-L15 HydrophobicContact CD1-CD1 4.05Å; L11-L15 HydrophobicContact CD1-CG 4.21Å; L11-L15 HydrophobicContact CG-CD1 3.9Å; L11-L15 HydrophobicContact CG-CG 4.5Å; L11-L15 WeakPolarHBondContact O-CB 3.39Å; L11-L15 VanDerWaalsContact O-CG 3.24Å; L11-L15 WeakPolarHBondContact O-CG 3.43Å; L11-L15 PolarHBondContact O-N 3.48Å; L11-V39 HydrophobicContact CD1-CG1 4.39Å; L11-C43 WeakPolarHBondContact CD1-SG 3.44Å
12V91.9Very high85.1Confident72 Ų7258 Ų5844%0.43632%0.324SS..Hα-helixtrans-62.4-44.7179171.90000111L8 V9 S10 V14 L15 L16L8-V12 WeakPolarHBondContact O-CG2 3.11Å; L8-V12 PolarHBondContact O-N 2.97Å; V9-V12 PolarHBondContact O-N 3.09Å; S10-V12 PolarHBondContact O-N 3.39Å; V12-V14 PolarHBondContact O-N 3.07Å; V12-L15 PolarHBondContact O-N 2.95Å; V12-L16 HydrophobicContact CG1-CD1 3.96Å; V12-L16 HydrophobicContact CG1-CG 4.46Å; V12-L16 WeakPolarHBondContact O-CB 3.23Å; V12-L16 VanDerWaalsContact O-CG 3.3Å; V12-L16 WeakPolarHBondContact O-CG 3.31Å; V12-L16 PolarHBondContact O-N 2.93Å
13L92.8Very high87Confident70 Ų7052.9 Ų52.937%0.36630%0.301SS..Hα-helixtrans-62.5-41.6178.7-70.9174.7000111.9V9 S10 L16 A17 I540 P544V9-L13 HydrophobicContact CG1-CD1 3.83Å; V9-L13 HydrophobicContact CG1-CG 4.25Å; V9-L13 WeakPolarHBondContact O-CB 3.27Å; V9-L13 VanDerWaalsContact O-CG 3.26Å; V9-L13 WeakPolarHBondContact O-CG 3.46Å; V9-L13 PolarHBondContact O-N 2.9Å; S10-L13 PolarHBondContact O-N 2.64Å; L13-L16 PolarHBondContact O-N 3.01Å; L13-A17 VanDerWaalsContact O-CB 3.28Å; L13-A17 WeakPolarHBondContact O-CB 3.41Å; L13-A17 PolarHBondContact O-N 2.57Å; L13-I540 HydrophobicContact CB-CG2 3.62Å; L13-P544 HydrophobicContact CD1-CG 4.07Å
14V92.2Very high88Confident0 Ų052.4 Ų52.40%030%0.295CS..Hα-helixtrans-68.7-42177.9176.10000111.4S10 L11 V12 L16 A17 A18 V39 M72 C537S10-V14 VanDerWaalsContact O-CG2 3.29Å; S10-V14 WeakPolarHBondContact O-CG2 3.38Å; S10-V14 PolarHBondContact O-N 3.42Å; L11-V14 PolarHBondContact O-N 2.99Å; V12-V14 PolarHBondContact O-N 3.07Å; V14-L16 VanDerWaalsContact C-N 3.32Å; V14-L16 PolarHBondContact O-N 2.77Å; V14-A17 PolarHBondContact O-N 3.16Å; V14-A18 VanDerWaalsContact O-CB 3.32Å; V14-A18 WeakPolarHBondContact O-CB 3.16Å; V14-A18 PolarHBondContact O-N 3.22Å; V14-V39 HydrophobicContact CG1-CG1 3.86Å; V14-V39 HydrophobicContact CG1-CG2 3.9Å; V14-M72 HydrophobicContact CB-SD 4.19Å; V14-M72 HydrophobicContact CG1-CE 4.48Å; V14-M72 HydrophobicContact CG1-SD 3.75Å; V14-M72 HydrophobicContact CG2-SD 3.78Å; V14-C537 HydrophobicContact CG1-CB 4.46Å
15L93.3Very high88.1Confident39 Ų3957.4 Ų57.420%0.20431%0.31CS..Hα-helixtrans-59.2-44.8175.2-73.8166.2000111.2L11 V12 T19 L36 V39L11-L15 HydrophobicContact CD1-CD1 4.05Å; L11-L15 HydrophobicContact CD1-CG 4.21Å; L11-L15 HydrophobicContact CG-CD1 3.9Å; L11-L15 HydrophobicContact CG-CG 4.5Å; L11-L15 WeakPolarHBondContact O-CB 3.39Å; L11-L15 VanDerWaalsContact O-CG 3.24Å; L11-L15 WeakPolarHBondContact O-CG 3.43Å; L11-L15 PolarHBondContact O-N 3.48Å; V12-L15 PolarHBondContact O-N 2.95Å; L15-T19 WeakPolarHBondContact O-CB 3.35Å; L15-T19 PolarHBondContact O-N 3Å; L15-T19 PolarHBondContact O-OG1 3.14Å; L15-L36 HydrophobicContact CB-CD1 4.09Å; L15-L36 HydrophobicContact CD2-CD1 3.64Å; L15-L36 HydrophobicContact CD2-CG 4.39Å; L15-L36 HydrophobicContact CG-CD1 4.36Å; L15-V39 HydrophobicContact CD2-CB 3.73Å; L15-V39 HydrophobicContact CD2-CG1 3.63Å; L15-V39 HydrophobicContact CG-CG1 4.03Å
16L93.4Very high88.1Confident94 Ų9456.4 Ų56.449%0.49229%0.294SS..Hα-helixtrans-63.4-48175.8-71.9171.3000111.4V12 L13 V14 A18 T19 I20V12-L16 HydrophobicContact CG1-CD1 3.96Å; V12-L16 HydrophobicContact CG1-CG 4.46Å; V12-L16 WeakPolarHBondContact O-CB 3.23Å; V12-L16 VanDerWaalsContact O-CG 3.3Å; V12-L16 WeakPolarHBondContact O-CG 3.31Å; V12-L16 PolarHBondContact O-N 2.93Å; L13-L16 PolarHBondContact O-N 3.01Å; V14-L16 VanDerWaalsContact C-N 3.32Å; V14-L16 PolarHBondContact O-N 2.77Å; L16-A18 PolarHBondContact O-N 3.45Å; L16-T19 PolarHBondContact O-N 2.87Å; L16-I20 WeakPolarHBondContact O-CB 3.45Å; L16-I20 VanDerWaalsContact O-CG1 3.24Å; L16-I20 WeakPolarHBondContact O-CG1 3.49Å; L16-I20 PolarHBondContact O-N 2.98Å
17A92.8Very high87.8Confident17 Ų1754 Ų5414%0.1428%0.283CS..Hα-helixtrans-60.2-44.7179.700000112.2L13 V14 S21 I540L13-A17 VanDerWaalsContact O-CB 3.28Å; L13-A17 WeakPolarHBondContact O-CB 3.41Å; L13-A17 PolarHBondContact O-N 2.57Å; V14-A17 PolarHBondContact O-N 3.16Å; A17-S21 WeakPolarHBondContact O-CB 2.93Å; A17-S21 PolarHBondContact O-N 3.24Å; A17-S21 PolarHBondContact O-OG 3Å; A17-I540 HydrophobicContact CB-CD1 3.67Å; A17-I540 HydrophobicContact CB-CG2 4.41Å
18A92.9Very high87.8Confident0 Ų051.9 Ų51.90%027%0.27CS..Hα-helixtrans-66.4-38.4177.600000112.4V14 L16 S21 S22 V39 F80V14-A18 VanDerWaalsContact O-CB 3.32Å; V14-A18 WeakPolarHBondContact O-CB 3.16Å; V14-A18 PolarHBondContact O-N 3.22Å; L16-A18 PolarHBondContact O-N 3.45Å; A18-S21 PolarHBondContact O-OG 3.36Å; A18-S22 WeakPolarHBondContact O-CB 3.3Å; A18-S22 PolarHBondContact O-N 3.12Å; A18-S22 PolarHBondContact O-OG 3.39Å; A18-V39 HydrophobicContact CB-CG2 3.43Å; A18-V39 VanDerWaalsContact CB-CG2 3.43Å; A18-F80 HydrophobicContact CB-CE1 4.41Å; A18-F80 HydrophobicContact CB-CZ 3.94Å
19T92.1Very high87.6Confident38 Ų3847.2 Ų47.223%0.23324%0.244CC..Hα-helixtrans-66.6-47.7177.4-56.50000111.1L15 L16 S22 S23 P32L15-T19 WeakPolarHBondContact O-CB 3.35Å; L15-T19 PolarHBondContact O-N 3Å; L15-T19 PolarHBondContact O-OG1 3.14Å; L16-T19 PolarHBondContact O-N 2.87Å; T19-S22 PolarHBondContact O-N 3.03Å; T19-S23 PolarHBondContact O-N 3.33Å; T19-S23 VanDerWaalsContact O-N 3.16Å; T19-P32 HydrophobicContact CG2-CB 3.73Å
20I91Very high87.3Confident124 Ų12444 Ų4464%0.63623%0.225SC*.Hα-helixtrans-65.6-45.3179.9-67.2166.2000110.3L16 S22 S23L16-I20 WeakPolarHBondContact O-CB 3.45Å; L16-I20 VanDerWaalsContact O-CG1 3.24Å; L16-I20 WeakPolarHBondContact O-CG1 3.49Å; L16-I20 PolarHBondContact O-N 2.98Å; I20-S22 VanDerWaalsContact C-N 3.26Å; I20-S22 PolarHBondContact O-N 3.28Å; I20-S23 WeakPolarHBondContact O-CB 3.19Å; I20-S23 PolarHBondContact O-N 3.45Å; I20-S23 VanDerWaalsContact O-N 3.16Å
21S89.3Confident87.3Confident22 Ų2244.4 Ų44.415%0.15423%0.226CC..Hα-helixtrans-69.2-24.4-178.474.90000113.3A17 A18 H214 Q533A17-S21 WeakPolarHBondContact O-CB 2.93Å; A17-S21 PolarHBondContact O-N 3.24Å; A17-S21 PolarHBondContact O-OG 3Å; A18-S21 PolarHBondContact O-OG 3.36Å; S21-H214 PolarHBondContact O-NE2 3.29Å; S21-Q533 PolarHBondContact O-NE2 3.27Å
22S88.8Confident87.3Confident0 Ų042.3 Ų42.30%022%0.216CC..Hα-helixtrans-89.6-7.4175.6-55.40000113.4A18 T19 I20 K31 G35 R87A18-S22 WeakPolarHBondContact O-CB 3.3Å; A18-S22 PolarHBondContact O-N 3.12Å; A18-S22 PolarHBondContact O-OG 3.39Å; T19-S22 PolarHBondContact O-N 3.03Å; I20-S22 VanDerWaalsContact C-N 3.26Å; I20-S22 PolarHBondContact O-N 3.28Å; S22-K31 VanDerWaalsContact CB-O 3.29Å; S22-K31 WeakPolarHBondContact CB-O 3.42Å; S22-K31 CarbonylContact O-C 3.46Å; S22-K31 PolarHBondContact O-N 3.39Å; S22-G35 WeakPolarHBondContact OG-CA 3.26Å; S22-R87 PolarHBondContact O-NH2 2.72Å
23S86.9Confident87.3Confident49 Ų4943.3 Ų43.334%0.34322%0.215SC..  trans-80.1153177.6-164.80000111.8T19 I20T19-S23 PolarHBondContact O-N 3.33Å; T19-S23 VanDerWaalsContact O-N 3.16Å; I20-S23 WeakPolarHBondContact O-CB 3.19Å; I20-S23 PolarHBondContact O-N 3.45Å; I20-S23 VanDerWaalsContact O-N 3.16Å
24M82.6Confident87.3Confident29 Ų2940.3 Ų40.314%0.14320%0.199CC..  trans-135.1161.4175.5-61.8-153.2-68.700109.6D26 R29 Y211 H214M24-D26 PolarHBondContact O-N 2.82Å; M24-R29 HydrophobicContact CE-CB 3.27Å; M24-R29 WeakPolarHBondContact CE-O 3.19Å; M24-Y211 HydrophobicContact CE-CD1 3.55Å; M24-Y211 HydrophobicContact CE-CE1 3.49Å; M24-Y211 VanDerWaalsContact CE-CE1 3.49Å; M24-Y211 HydrophobicContact SD-CD1 4.3Å; M24-H214 HydrophobicContact SD-CB 3.77Å
25R74.2Confident87.2Confident250 Ų25040.3 Ų40.394%0.94320%0.199SC*.SBendtrans-65-29.3173-71.7-176177.1174.5-0.8112.3
26D78.6Confident87.3Confident23 Ų2341.5 Ų41.512%0.12321%0.205CC..SBendtrans-72.8122.4176.5-177.2-27.8000111M24 L28 R29 G30M24-D26 PolarHBondContact O-N 2.82Å; D26-L28 VanDerWaalsContact C-N 3.3Å; D26-L28 PolarHBondContact O-N 3.34Å; D26-L28 WeakPolarHBondContact OD1-CB 3.17Å; D26-L28 PolarHBondContact OD1-N 3.19Å; D26-R29 HydrophobicContact CB-CB 4.19Å; D26-R29 PolarHBondContact OD1-N 2.81Å; D26-R29 VanDerWaalsContact OD1-N 3.14Å; D26-R29 WeakPolarHBondContact OD2-CD 3.46Å; D26-R29 VanDerWaalsContact OD2-CG 3.22Å; D26-R29 WeakPolarHBondContact OD2-CG 3.26Å; D26-R29 IonicContact OD2-CZ 2.82Å; D26-R29 IonicContact OD2-NE 3.7Å; D26-R29 IonicContact OD2-NH1 2.73Å; D26-R29 PolarHBondContact OD2-NH1 3.4Å; D26-G30 PolarHBondContact O-N 2.99Å
27C77.8Confident87.4Confident6 Ų639.6 Ų39.64%0.04120%0.195CC..THydrogen-bonded Turntrans-69.1-25.8-176.374.40000113.6H172 S173 M195 S197C27-H172 WeakPolarHBondContact CB-NE2 3.32Å; C27-S173 WeakPolarHBondContact O-CB 3.45Å; C27-S173 PolarHBondContact O-N 2.87Å; C27-S173 PolarHBondContact O-OG 3.33Å; C27-M195 VanDerWaalsContact CB-O 3.31Å; C27-M195 WeakPolarHBondContact CB-O 3.46Å; C27-S197 PolarHBondContact N-O 3.17Å; C27-S197 PolarHBondContact SG-O 3.48Å
28L80.3Confident87.5Confident20 Ų2038.8 Ų38.811%0.10519%0.189CC..THydrogen-bonded Turntrans-85.3-47.2179.1177.261000110.9D26 E167 I179 D198D26-L28 VanDerWaalsContact C-N 3.3Å; D26-L28 PolarHBondContact O-N 3.34Å; D26-L28 WeakPolarHBondContact OD1-CB 3.17Å; D26-L28 PolarHBondContact OD1-N 3.19Å; L28-E167 HydrophobicContact CD1-CG 4.32Å; L28-E167 HydrophobicContact CG-CG 4.4Å; L28-I179 HydrophobicContact CB-CD1 3.81Å; L28-I179 HydrophobicContact CD1-CD1 3.87Å; L28-I179 HydrophobicContact CG-CD1 4.35Å; L28-D198 HydrophobicContact CB-CB 4.12Å; L28-D198 HydrophobicContact CD2-CB 4.46Å
29R83.1Confident87.6Confident12 Ų1238.9 Ų38.95%0.04519%0.189CC..THydrogen-bonded Turntrans-86.2-15.1-171.1-59.1-179.8-178.1103-1.4113.5M24 D26 E91 D198 P210 Y211M24-R29 HydrophobicContact CE-CB 3.27Å; M24-R29 WeakPolarHBondContact CE-O 3.19Å; D26-R29 HydrophobicContact CB-CB 4.19Å; D26-R29 PolarHBondContact OD1-N 2.81Å; D26-R29 VanDerWaalsContact OD1-N 3.14Å; D26-R29 WeakPolarHBondContact OD2-CD 3.46Å; D26-R29 VanDerWaalsContact OD2-CG 3.22Å; D26-R29 WeakPolarHBondContact OD2-CG 3.26Å; D26-R29 IonicContact OD2-CZ 2.82Å; D26-R29 IonicContact OD2-NE 3.7Å; D26-R29 IonicContact OD2-NH1 2.73Å; D26-R29 PolarHBondContact OD2-NH1 3.4Å; R29-E91 WeakPolarHBondContact CD-OE1 3.41Å; R29-E91 IonicContact CZ-OE1 3.49Å; R29-E91 IonicContact CZ-OE2 3.82Å; R29-E91 VanDerWaalsContact NE-CD 3.34Å; R29-E91 IonicContact NE-OE1 3.6Å; R29-E91 PolarHBondContact NE-OE1 3.21Å; R29-E91 IonicContact NE-OE2 3.43Å; R29-E91 PolarHBondContact NE-OE2 3.04Å; R29-E91 IonicContact NH2-OE1 3.63Å; R29-E91 IonicContact NH2-OE2 2.67Å; R29-E91 PolarHBondContact NH2-OE2 3.44Å; R29-D198 PolarHBondContact NH1-O 3.48Å; R29-P210 VanDerWaalsContact NE-CB 3.31Å; R29-P210 VanDerWaalsContact NH2-CB 3.28Å; R29-P210 VanDerWaalsContact NH2-CG 3.33Å; R29-Y211 HydrophobicContact CB-CE1 3.91Å; R29-Y211 HydrophobicContact CG-CE2 4.49Å
30G82.6Confident87.7Confident1 Ų140.8 Ų40.81%0.0120%0.197CC..  trans-54.6141.6172.800000112.3D26 S173D26-G30 PolarHBondContact O-N 2.99Å; G30-S173 WeakPolarHBondContact O-CB 3.37Å
31K88.4Confident88Confident13 Ų1334.9 Ų34.96%0.05717%0.167CC..  trans-130.148.8178.7-60.4-71.5177.4163.30112.7S22 F33 L34 G35 L83 A163 E167S22-K31 VanDerWaalsContact CB-O 3.29Å; S22-K31 WeakPolarHBondContact CB-O 3.42Å; S22-K31 CarbonylContact O-C 3.46Å; S22-K31 PolarHBondContact O-N 3.39Å; K31-F33 PolarHBondContact O-N 3.03Å; K31-L34 HydrophobicContact CB-CB 3.93Å; K31-L34 WeakPolarHBondContact O-CB 3.22Å; K31-L34 PolarHBondContact O-N 3.36Å; K31-L34 VanDerWaalsContact O-N 3.1Å; K31-G35 PolarHBondContact O-N 3.19Å; K31-L83 HydrophobicContact CB-CD1 3.89Å; K31-L83 HydrophobicContact CG-CD1 3.9Å; K31-A163 HydrophobicContact CD-CB 4.32Å; K31-A163 PolarHBondContact NZ-O 3.28Å; K31-E167 WeakPolarHBondContact CE-OE2 3.11Å; K31-E167 IonicContact NZ-OE2 2.77Å; K31-E167 PolarHBondContact NZ-OE2 2.91Å
32P89.4Confident88.3Confident10 Ų1033.9 Ų33.97%0.06516%0.16CC..Hα-helixtrans-61.7-42.3-17624.6-31.9000112.6T19 L34 G35 L36 V174T19-P32 HydrophobicContact CG2-CB 3.73Å; P32-L34 VanDerWaalsContact C-N 3.25Å; P32-L34 PolarHBondContact O-N 3.3Å; P32-G35 PolarHBondContact O-N 3.35Å; P32-L36 PolarHBondContact O-N 3.09Å; P32-L36 VanDerWaalsContact O-N 3.11Å; P32-V174 HydrophobicContact CG-CG2 3.82Å
33F90.8Very high88.5Confident93 Ų9335.1 Ų35.141%0.40817%0.169SC..Hα-helixtrans-64.2-30.2175.8-69-64.5000113.2K31 L36 L37 S173 V174K31-F33 PolarHBondContact O-N 3.03Å; F33-L36 HydrophobicContact CD1-CD2 4.48Å; F33-L36 PolarHBondContact O-N 2.96Å; F33-L37 VanDerWaalsContact O-CB 3.26Å; F33-L37 WeakPolarHBondContact O-CB 3.12Å; F33-L37 WeakPolarHBondContact O-CG 3.06Å; F33-L37 PolarHBondContact O-N 3.01Å; F33-S173 WeakPolarHBondContact CD2-O 3.27Å; F33-S173 VanDerWaalsContact CE2-O 3.3Å; F33-S173 WeakPolarHBondContact CE2-O 3.41Å; F33-V174 WeakPolarHBondContact CE2-O 3.48Å; F33-V174 WeakPolarHBondContact CZ-O 3.37Å
34L92.1Very high89Confident7 Ų735.9 Ų35.94%0.03717%0.168CC..Hα-helixtrans-69.9-39.3178.2-149.876.5000110.6K31 P32 G38 L83 Y156 C159 L160 A163K31-L34 HydrophobicContact CB-CB 3.93Å; K31-L34 WeakPolarHBondContact O-CB 3.22Å; K31-L34 PolarHBondContact O-N 3.36Å; K31-L34 VanDerWaalsContact O-N 3.1Å; P32-L34 VanDerWaalsContact C-N 3.25Å; P32-L34 PolarHBondContact O-N 3.3Å; L34-G38 PolarHBondContact O-N 3.01Å; L34-L83 HydrophobicContact CD2-CD1 3.81Å; L34-Y156 HydrophobicContact CD1-CE2 4.27Å; L34-Y156 HydrophobicContact CD2-CE2 4.34Å; L34-Y156 WeakPolarHBondContact CD2-OH 3.48Å; L34-Y156 HydrophobicContact CG-CE2 3.75Å; L34-Y156 WeakPolarHBondContact O-CE2 3.21Å; L34-C159 HydrophobicContact CD1-CB 3.97Å; L34-L160 HydrophobicContact CD2-CD1 3.57Å; L34-A163 HydrophobicContact CD1-CB 4Å
35G91.8Very high89.7Confident0 Ų034.5 Ų34.50%016%0.161CC..Hα-helixtrans-59.2-46.6170.500000112.7S22 K31 P32 G38 V39S22-G35 WeakPolarHBondContact OG-CA 3.26Å; K31-G35 PolarHBondContact O-N 3.19Å; P32-G35 PolarHBondContact O-N 3.35Å; G35-G38 PolarHBondContact O-N 3.46Å; G35-V39 PolarHBondContact O-N 3Å
36L94.3Very high90.6Very high63 Ų6323.6 Ų23.633%0.3312%0.122SC..Hα-helixtrans-60.2-52.8176.5-175.479.1000112.2L15 P32 F33 G38 V39 L40L15-L36 HydrophobicContact CB-CD1 4.09Å; L15-L36 HydrophobicContact CD2-CD1 3.64Å; L15-L36 HydrophobicContact CD2-CG 4.39Å; L15-L36 HydrophobicContact CG-CD1 4.36Å; P32-L36 PolarHBondContact O-N 3.09Å; P32-L36 VanDerWaalsContact O-N 3.11Å; F33-L36 HydrophobicContact CD1-CD2 4.48Å; F33-L36 PolarHBondContact O-N 2.96Å; L36-G38 VanDerWaalsContact C-N 3.26Å; L36-G38 PolarHBondContact O-N 2.98Å; L36-V39 PolarHBondContact O-N 3.36Å; L36-L40 PolarHBondContact O-N 3.42Å
37L95.1Very high91.4Very high55 Ų5527.6 Ų27.629%0.28815%0.147SC..Hα-helixtrans-64.3-32.1-179.2-71.9170.2000111.5F33 L40 T41 C159F33-L37 VanDerWaalsContact O-CB 3.26Å; F33-L37 WeakPolarHBondContact O-CB 3.12Å; F33-L37 WeakPolarHBondContact O-CG 3.06Å; F33-L37 PolarHBondContact O-N 3.01Å; L37-L40 HydrophobicContact CD2-CD2 4.37Å; L37-L40 PolarHBondContact O-N 3.04Å; L37-T41 WeakPolarHBondContact O-CB 3.42Å; L37-T41 PolarHBondContact O-N 3.04Å; L37-T41 PolarHBondContact O-OG1 2.67Å; L37-C159 HydrophobicContact CD1-CB 4.24Å
38G94.8Very high92.3Very high0 Ų029.6 Ų29.60%016%0.159CC..Hα-helixtrans-60.1-50.3173.400000112.6L34 G35 L36 L40 T41 I42L34-G38 PolarHBondContact O-N 3.01Å; G35-G38 PolarHBondContact O-N 3.46Å; L36-G38 VanDerWaalsContact C-N 3.26Å; L36-G38 PolarHBondContact O-N 2.98Å; G38-L40 PolarHBondContact O-N 3.41Å; G38-T41 WeakPolarHBondContact O-CB 3.42Å; G38-T41 PolarHBondContact O-N 3.14Å; G38-I42 WeakPolarHBondContact O-CD1 3.37Å; G38-I42 WeakPolarHBondContact O-CG1 3.34Å; G38-I42 PolarHBondContact O-N 2.82Å
39V94.9Very high93.1Very high1 Ų128.7 Ų28.71%0.00615%0.154CC..Hα-helixtrans-64.4-41.7176.6176.80000111.3L11 V14 L15 A18 G35 L36 T41 I42 C43 T76L11-V39 HydrophobicContact CD1-CG1 4.39Å; V14-V39 HydrophobicContact CG1-CG1 3.86Å; V14-V39 HydrophobicContact CG1-CG2 3.9Å; L15-V39 HydrophobicContact CD2-CB 3.73Å; L15-V39 HydrophobicContact CD2-CG1 3.63Å; L15-V39 HydrophobicContact CG-CG1 4.03Å; A18-V39 HydrophobicContact CB-CG2 3.43Å; A18-V39 VanDerWaalsContact CB-CG2 3.43Å; G35-V39 PolarHBondContact O-N 3Å; L36-V39 PolarHBondContact O-N 3.36Å; V39-T41 VanDerWaalsContact C-N 3.31Å; V39-T41 PolarHBondContact O-N 3.33Å; V39-I42 PolarHBondContact O-N 3.05Å; V39-C43 PolarHBondContact O-N 2.97Å; V39-C43 PolarHBondContact O-SG 3.1Å; V39-T76 HydrophobicContact CG2-CG2 4.4Å
40L95.1Very high93.6Very high78 Ų7829.9 Ų29.941%0.40817%0.166SC..Hα-helixtrans-61-40.9176.9-175.964.4000111.9L36 L37 G38 I42 C43 I44L36-L40 PolarHBondContact O-N 3.42Å; L37-L40 HydrophobicContact CD2-CD2 4.37Å; L37-L40 PolarHBondContact O-N 3.04Å; G38-L40 PolarHBondContact O-N 3.41Å; L40-I42 VanDerWaalsContact C-N 3.28Å; L40-I42 PolarHBondContact O-N 2.93Å; L40-C43 WeakPolarHBondContact O-CB 3.49Å; L40-C43 PolarHBondContact O-N 3.42Å; L40-C43 VanDerWaalsContact O-N 3.17Å; L40-I44 HydrophobicContact CD1-CD1 4.31Å; L40-I44 HydrophobicContact CD1-CG1 4.45Å; L40-I44 HydrophobicContact CG-CD1 3.94Å; L40-I44 HydrophobicContact CG-CG1 4.48Å; L40-I44 WeakPolarHBondContact O-CG1 3.29Å; L40-I44 PolarHBondContact O-N 3.41Å
41T96.3Very high94.2Very high0 Ų031.3 Ų31.30%018%0.181CC..Hα-helixtrans-54.4-47.4175.7-58.80000110.7L37 G38 V39 I44 A45 Y151 F155L37-T41 WeakPolarHBondContact O-CB 3.42Å; L37-T41 PolarHBondContact O-N 3.04Å; L37-T41 PolarHBondContact O-OG1 2.67Å; G38-T41 WeakPolarHBondContact O-CB 3.42Å; G38-T41 PolarHBondContact O-N 3.14Å; V39-T41 VanDerWaalsContact C-N 3.31Å; V39-T41 PolarHBondContact O-N 3.33Å; T41-I44 PolarHBondContact O-N 2.77Å; T41-A45 WeakPolarHBondContact O-CB 3.45Å; T41-A45 PolarHBondContact O-N 2.96Å; T41-Y151 HydrophobicContact CG2-CD1 4.15Å; T41-Y151 HydrophobicContact CG2-CG 4.49Å; T41-F155 HydrophobicContact CG2-CB 4.48Å; T41-F155 HydrophobicContact CG2-CD1 3.85Å; T41-F155 WeakPolarHBondContact OG1-CD1 3.44Å; T41-F155 WeakPolarHBondContact OG1-CE1 3.45Å
42I96.1Very high94.6Very high1 Ų134.5 Ų34.51%0.00520%0.198CC..Hα-helixtrans-68.9-36.8-178.6-57.4157.3000111G38 V39 L40 A45 N46 T76 V79G38-I42 WeakPolarHBondContact O-CD1 3.37Å; G38-I42 WeakPolarHBondContact O-CG1 3.34Å; G38-I42 PolarHBondContact O-N 2.82Å; V39-I42 PolarHBondContact O-N 3.05Å; L40-I42 VanDerWaalsContact C-N 3.28Å; L40-I42 PolarHBondContact O-N 2.93Å; I42-A45 PolarHBondContact O-N 3.24Å; I42-N46 WeakPolarHBondContact O-CB 3.49Å; I42-N46 VanDerWaalsContact O-CG 3.29Å; I42-N46 PolarHBondContact O-N 3.42Å; I42-N46 PolarHBondContact O-ND2 3.39Å; I42-T76 HydrophobicContact CD1-CG2 3.41Å; I42-T76 VanDerWaalsContact CD1-CG2 3.41Å; I42-V79 HydrophobicContact CD1-CG2 4.16Å
43C94.4Very high94.8Very high27 Ų2734.4 Ų34.418%0.18220%0.196CC..Hα-helixtrans-62.7-46.2175.7-65.20000111.6L11 V39 L40 A45 N46 V47L11-C43 WeakPolarHBondContact CD1-SG 3.44Å; V39-C43 PolarHBondContact O-N 2.97Å; V39-C43 PolarHBondContact O-SG 3.1Å; L40-C43 WeakPolarHBondContact O-CB 3.49Å; L40-C43 PolarHBondContact O-N 3.42Å; L40-C43 VanDerWaalsContact O-N 3.17Å; C43-A45 VanDerWaalsContact C-N 3.34Å; C43-N46 PolarHBondContact O-N 2.86Å; C43-V47 WeakPolarHBondContact O-CG2 3.39Å; C43-V47 PolarHBondContact O-N 2.82Å
44I95.9Very high94.9Very high65 Ų6534.7 Ų34.733%0.33320%0.198SC..Hα-helixtrans-65.9-39.6177.8-60.4165.6000110.4L40 T41 N46 V47 T48 Y151L40-I44 HydrophobicContact CD1-CD1 4.31Å; L40-I44 HydrophobicContact CD1-CG1 4.45Å; L40-I44 HydrophobicContact CG-CD1 3.94Å; L40-I44 HydrophobicContact CG-CG1 4.48Å; L40-I44 WeakPolarHBondContact O-CG1 3.29Å; L40-I44 PolarHBondContact O-N 3.41Å; T41-I44 PolarHBondContact O-N 2.77Å; I44-N46 VanDerWaalsContact C-N 3.35Å; I44-N46 PolarHBondContact O-N 3.2Å; I44-V47 PolarHBondContact O-N 2.98Å; I44-T48 WeakPolarHBondContact O-CB 3.48Å; I44-T48 PolarHBondContact O-N 3.21Å; I44-T48 PolarHBondContact O-OG1 2.77Å; I44-Y151 HydrophobicContact CB-CE1 4.13Å; I44-Y151 HydrophobicContact CG2-CE1 3.6Å
45A97.1Very high95Very high0 Ų041.6 Ų41.60%023%0.233CC..Hα-helixtrans-60-43.9174.700000111.8T41 I42 C43 T48 A49 V147 N148 Y151T41-A45 WeakPolarHBondContact O-CB 3.45Å; T41-A45 PolarHBondContact O-N 2.96Å; I42-A45 PolarHBondContact O-N 3.24Å; C43-A45 VanDerWaalsContact C-N 3.34Å; A45-T48 PolarHBondContact O-N 2.83Å; A45-A49 WeakPolarHBondContact O-CB 3.3Å; A45-A49 PolarHBondContact O-N 3.08Å; A45-V147 HydrophobicContact CB-CG1 4.14Å; A45-V147 WeakPolarHBondContact O-CG1 3.38Å; A45-N148 HydrophobicContact CB-CB 4.23Å; A45-Y151 HydrophobicContact CB-CD1 4.06Å; A45-Y151 HydrophobicContact CB-CD2 4.14Å; A45-Y151 HydrophobicContact CB-CG 3.77Å
46N94.5Very high95Very high21 Ų2145.4 Ų45.411%0.11226%0.26CS..Hα-helixtrans-65.2-40.6177.8-76.4-24000112.7I42 C43 I44 T48 A49 A50 A71I42-N46 WeakPolarHBondContact O-CB 3.49Å; I42-N46 VanDerWaalsContact O-CG 3.29Å; I42-N46 PolarHBondContact O-N 3.42Å; I42-N46 PolarHBondContact O-ND2 3.39Å; C43-N46 PolarHBondContact O-N 2.86Å; I44-N46 VanDerWaalsContact C-N 3.35Å; I44-N46 PolarHBondContact O-N 3.2Å; N46-T48 VanDerWaalsContact C-N 3.35Å; N46-A49 PolarHBondContact O-N 2.66Å; N46-A50 WeakPolarHBondContact O-CB 3.41Å; N46-A50 PolarHBondContact O-N 3.23Å; N46-A71 WeakPolarHBondContact OD1-CB 3.43Å
47V95.1Very high94.7Very high107 Ų10749 Ų4965%0.64828%0.279SS*.Hα-helixtrans-63.5-43.5174.4172.70000110.6C43 I44 A50 G51C43-V47 WeakPolarHBondContact O-CG2 3.39Å; C43-V47 PolarHBondContact O-N 2.82Å; I44-V47 PolarHBondContact O-N 2.98Å; V47-A50 PolarHBondContact O-N 3.23Å; V47-G51 PolarHBondContact O-N 3.08Å
48T96.9Very high94.2Very high48 Ų4847.1 Ų47.129%0.29427%0.273SS..Hα-helixtrans-62.3-45.3177-55.60000111.3I44 A45 N46 A50 G51 I52 V147 Y151I44-T48 WeakPolarHBondContact O-CB 3.48Å; I44-T48 PolarHBondContact O-N 3.21Å; I44-T48 PolarHBondContact O-OG1 2.77Å; A45-T48 PolarHBondContact O-N 2.83Å; N46-T48 VanDerWaalsContact C-N 3.35Å; T48-A50 PolarHBondContact O-N 3.35Å; T48-G51 PolarHBondContact O-N 3.27Å; T48-I52 HydrophobicContact CG2-CD1 4.2Å; T48-I52 WeakPolarHBondContact O-CG1 3.33Å; T48-I52 PolarHBondContact O-N 3.46Å; T48-V147 HydrophobicContact CG2-CG1 4.11Å; T48-Y151 PolarHBondContact OG1-OH 3.38Å
49A96.5Very high93.9Very high1 Ų154.2 Ų54.21%0.00830%0.304CS..Hα-helixtrans-62.9-41.7177.500000112.7A45 N46 G51 I52 F53 V143 A144 V147A45-A49 WeakPolarHBondContact O-CB 3.3Å; A45-A49 PolarHBondContact O-N 3.08Å; N46-A49 PolarHBondContact O-N 2.66Å; A49-G51 VanDerWaalsContact C-N 3.32Å; A49-G51 PolarHBondContact O-N 2.86Å; A49-I52 PolarHBondContact O-N 3.21Å; A49-F53 WeakPolarHBondContact O-CB 3.47Å; A49-F53 PolarHBondContact O-N 2.92Å; A49-V143 HydrophobicContact CB-CG1 4.11Å; A49-A144 VanDerWaalsContact CB-CA 3.48Å; A49-A144 HydrophobicContact CB-CB 3.99Å; A49-V147 HydrophobicContact CB-CB 4.21Å; A49-V147 HydrophobicContact CB-CG2 4.2Å
50A93.9Very high93.4Very high36 Ų3661.7 Ų61.730%0.29834%0.337SS..Hα-helixtrans-61.2-42.5173.500000111.2N46 V47 T48 F53 F54N46-A50 WeakPolarHBondContact O-CB 3.41Å; N46-A50 PolarHBondContact O-N 3.23Å; V47-A50 PolarHBondContact O-N 3.23Å; T48-A50 PolarHBondContact O-N 3.35Å; A50-F53 PolarHBondContact O-N 2.9Å; A50-F54 HydrophobicContact CB-CD2 4.5Å; A50-F54 HydrophobicContact CB-CE2 4.27Å; A50-F54 WeakPolarHBondContact O-CD2 3.4Å; A50-F54 PolarHBondContact O-N 3.3Å
51G95.2Very high92.9Very high31 Ų3159.6 Ų59.632%0.3233%0.326SS..Hα-helixtrans-58.4-48.6174.600000112.8V47 T48 A49 F53 F54 I55V47-G51 PolarHBondContact O-N 3.08Å; T48-G51 PolarHBondContact O-N 3.27Å; A49-G51 VanDerWaalsContact C-N 3.32Å; A49-G51 PolarHBondContact O-N 2.86Å; G51-F53 VanDerWaalsContact C-N 3.33Å; G51-F53 PolarHBondContact O-N 3.34Å; G51-F54 PolarHBondContact O-N 3.32Å; G51-I55 WeakPolarHBondContact O-CB 3.32Å; G51-I55 WeakPolarHBondContact O-CD1 3.49Å; G51-I55 VanDerWaalsContact O-CG1 3.24Å; G51-I55 WeakPolarHBondContact O-CG1 3.29Å; G51-I55 PolarHBondContact O-N 3.02Å
52I95.8Very high92.3Very high81 Ų8162.5 Ų62.542%0.41535%0.346SS..Hα-helixtrans-59.1-46.4176.2-67.3166.2000110.5T48 A49 F54 I55 S56 V143 V147T48-I52 HydrophobicContact CG2-CD1 4.2Å; T48-I52 WeakPolarHBondContact O-CG1 3.33Å; T48-I52 PolarHBondContact O-N 3.46Å; A49-I52 PolarHBondContact O-N 3.21Å; I52-F54 PolarHBondContact O-N 3.28Å; I52-I55 PolarHBondContact O-N 3.46Å; I52-S56 PolarHBondContact O-N 2.92Å; I52-S56 PolarHBondContact O-OG 3.41Å; I52-V143 HydrophobicContact CB-CG1 4.05Å; I52-V143 HydrophobicContact CG2-CG1 3.85Å; I52-V147 HydrophobicContact CD1-CG2 3.82Å
53F93.9Very high91.6Very high7 Ų762.5 Ų62.53%0.03135%0.347CS..Hα-helixtrans-60.5-45.3-179.1179.1-101.8000112.5A49 A50 G51 S56 G58 L64 I136 Q139A49-F53 WeakPolarHBondContact O-CB 3.47Å; A49-F53 PolarHBondContact O-N 2.92Å; A50-F53 PolarHBondContact O-N 2.9Å; G51-F53 VanDerWaalsContact C-N 3.33Å; G51-F53 PolarHBondContact O-N 3.34Å; F53-S56 WeakPolarHBondContact CA-OG 3.36Å; F53-S56 PolarHBondContact O-N 3.39Å; F53-S56 PolarHBondContact O-OG 3.14Å; F53-G58 VanDerWaalsContact CZ-CA 3.44Å; F53-G58 WeakPolarHBondContact O-CA 3.36Å; F53-G58 PolarHBondContact O-N 3.26Å; F53-G58 VanDerWaalsContact O-N 3.08Å; F53-L64 HydrophobicContact CE1-CD1 4.24Å; F53-I136 HydrophobicContact CZ-CG2 3.84Å; F53-Q139 HydrophobicContact CE2-CB 4.46Å
54F92.9Very high91.4Very high99 Ų9962 Ų6243%0.43434%0.342SS..Hα-helixtrans-72-30.5178.3-69.2-57.5000113.3A50 G51 I52 S56 D57 G58 F60A50-F54 HydrophobicContact CB-CD2 4.5Å; A50-F54 HydrophobicContact CB-CE2 4.27Å; A50-F54 WeakPolarHBondContact O-CD2 3.4Å; A50-F54 PolarHBondContact O-N 3.3Å; G51-F54 PolarHBondContact O-N 3.32Å; I52-F54 PolarHBondContact O-N 3.28Å; F54-S56 VanDerWaalsContact C-N 3.29Å; F54-D57 PolarHBondContact O-N 2.76Å; F54-G58 WeakPolarHBondContact CD1-O 3.27Å; F54-F60 HydrophobicContact CE1-CB 4.11Å; F54-F60 HydrophobicContact CE1-CD2 4.39Å; F54-F60 HydrophobicContact CZ-CD2 4.07Å
55I95.1Very high91Very high152 Ų15261.4 Ų61.478%0.77934%0.339SS*.Hα-helixtrans-67.6-32.6173.2-69.9166.2000111G51 I52 D57G51-I55 WeakPolarHBondContact O-CB 3.32Å; G51-I55 WeakPolarHBondContact O-CD1 3.49Å; G51-I55 VanDerWaalsContact O-CG1 3.24Å; G51-I55 WeakPolarHBondContact O-CG1 3.29Å; G51-I55 PolarHBondContact O-N 3.02Å; I52-I55 PolarHBondContact O-N 3.46Å; I55-D57 PolarHBondContact O-N 2.99Å; I55-D57 VanDerWaalsContact O-N 3.11Å
56S91.3Very high90.6Very high80 Ų8061.5 Ų61.556%0.55934%0.34SS*.THydrogen-bonded Turntrans-7823.617558.60000114.8I52 F53 F54 G58I52-S56 PolarHBondContact O-N 2.92Å; I52-S56 PolarHBondContact O-OG 3.41Å; F53-S56 WeakPolarHBondContact CA-OG 3.36Å; F53-S56 PolarHBondContact O-N 3.39Å; F53-S56 PolarHBondContact O-OG 3.14Å; F54-S56 VanDerWaalsContact C-N 3.29Å; S56-G58 PolarHBondContact O-N 3.07Å
57D88.4Confident90.5Very high138 Ų13861.2 Ų61.274%0.73834%0.339SS*.THydrogen-bonded Turntrans59.128.3-176.5-159.531.6000113.8F54 I55 K59F54-D57 PolarHBondContact O-N 2.76Å; I55-D57 PolarHBondContact O-N 2.99Å; I55-D57 VanDerWaalsContact O-N 3.11Å; D57-K59 PolarHBondContact O-N 3.28Å
58G84.9Confident90.3Very high16 Ų1659 Ų5917%0.16533%0.326CS..PPolyproline II helixtrans-66124.6175.600000111.5F53 F54 S56F53-G58 VanDerWaalsContact CZ-CA 3.44Å; F53-G58 WeakPolarHBondContact O-CA 3.36Å; F53-G58 PolarHBondContact O-N 3.26Å; F53-G58 VanDerWaalsContact O-N 3.08Å; F54-G58 WeakPolarHBondContact CD1-O 3.27Å; S56-G58 PolarHBondContact O-N 3.07Å
59K87.1Confident90Very high149 Ų14957.1 Ų57.165%0.64831%0.314SS*.PPolyproline II helixtrans-79.9132.9-179.4-66.5178.8-177.7173.20111.4D57 I136D57-K59 PolarHBondContact O-N 3.28Å; K59-I136 HydrophobicContact CB-CD1 4.32Å
60F85.6Confident89.9Confident158 Ų15857.2 Ų57.269%0.69331%0.314SS*.PPolyproline II helixtrans-66.8135.9173.2-178.5-98.5000111.2F54 L64F54-F60 HydrophobicContact CE1-CB 4.11Å; F54-F60 HydrophobicContact CE1-CD2 4.39Å; F54-F60 HydrophobicContact CZ-CD2 4.07Å; F60-L64 HydrophobicContact CD2-CD1 3.91Å; F60-L64 HydrophobicContact CE2-CD1 4.43Å
61N84.3Confident89.9Confident34 Ų3455.5 Ų55.518%0.18230%0.3CS..  trans-142150.4176.9-178.113.2000110T63 L64 S133N61-T63 PolarHBondContact ND2-OG1 3.12Å; N61-T63 PolarHBondContact O-N 2.88Å; N61-L64 HydrophobicContact CB-CG 4.37Å; N61-L64 VanDerWaalsContact O-CB 3.26Å; N61-L64 WeakPolarHBondContact O-CB 3.3Å; N61-L64 WeakPolarHBondContact O-CG 3.24Å; N61-L64 PolarHBondContact O-N 3.48Å; N61-S133 WeakPolarHBondContact ND2-CA 3.43Å; N61-S133 WeakPolarHBondContact ND2-CB 3.47Å
62S82.4Confident89.7Confident61 Ų6154.7 Ų54.743%0.42729%0.288SS..G310 helixtrans-62.1-26.8-179.459.10000113.3L64 L65S62-L64 PolarHBondContact O-N 2.95Å; S62-L65 VanDerWaalsContact O-CB 3.28Å; S62-L65 WeakPolarHBondContact O-CB 3.33Å; S62-L65 PolarHBondContact O-N 3.44Å
63T83.4Confident89.6Confident2 Ų250.9 Ų50.91%0.01227%0.269CS..G310 helixtrans-63.2-26.2174.759.10000112.8N61 L65 G66 S133 F137 I485N61-T63 PolarHBondContact ND2-OG1 3.12Å; N61-T63 PolarHBondContact O-N 2.88Å; T63-L65 PolarHBondContact O-N 2.89Å; T63-G66 PolarHBondContact O-N 3.18Å; T63-G66 VanDerWaalsContact O-N 3.12Å; T63-S133 PolarHBondContact OG1-O 3.43Å; T63-F137 WeakPolarHBondContact O-CD2 3.39Å; T63-F137 WeakPolarHBondContact O-CE2 3.24Å; T63-I485 HydrophobicContact CG2-CG1 4.31Å
64L89.3Confident89.6Confident16 Ų1650.5 Ų50.58%0.08427%0.267CS..G310 helixtrans-61.1-15.7178.2-60176.1000112.8F53 F60 N61 S62 G66 I67 I136F53-L64 HydrophobicContact CE1-CD1 4.24Å; F60-L64 HydrophobicContact CD2-CD1 3.91Å; F60-L64 HydrophobicContact CE2-CD1 4.43Å; N61-L64 HydrophobicContact CB-CG 4.37Å; N61-L64 VanDerWaalsContact O-CB 3.26Å; N61-L64 WeakPolarHBondContact O-CB 3.3Å; N61-L64 WeakPolarHBondContact O-CG 3.24Å; N61-L64 PolarHBondContact O-N 3.48Å; S62-L64 PolarHBondContact O-N 2.95Å; L64-G66 PolarHBondContact O-N 3.44Å; L64-I67 HydrophobicContact CB-CD1 4.3Å; L64-I67 HydrophobicContact CD2-CD1 3.44Å; L64-I67 VanDerWaalsContact CD2-CD1 3.44Å; L64-I67 HydrophobicContact CD2-CG1 4.43Å; L64-I67 HydrophobicContact CG-CD1 4.47Å; L64-I67 WeakPolarHBondContact O-CB 3.43Å; L64-I67 PolarHBondContact O-N 3.36Å; L64-I67 VanDerWaalsContact O-N 3.09Å; L64-I136 HydrophobicContact CD2-CG2 4.2Å
65L86.8Confident89.6Confident53 Ų5345.8 Ų45.828%0.27725%0.246SC..G310 helixtrans-55.9-29.3173.3-175.465.9000112.9S62 T63 P68 F69 T553S62-L65 VanDerWaalsContact O-CB 3.28Å; S62-L65 WeakPolarHBondContact O-CB 3.33Å; S62-L65 PolarHBondContact O-N 3.44Å; T63-L65 PolarHBondContact O-N 2.89Å; L65-P68 WeakPolarHBondContact O-CD 3.49Å; L65-F69 WeakPolarHBondContact O-CD2 3.21Å; L65-F69 WeakPolarHBondContact O-CE2 3.29Å; L65-T553 HydrophobicContact CD2-CG2 3.43Å; L65-T553 VanDerWaalsContact CD2-CG2 3.43Å
66G88.6Confident89.6Confident2 Ų238.6 Ų38.62%0.02121%0.209CC..G310 helixtrans-74.7-20.8178.500000114.8T63 L64 F69 F70T63-G66 PolarHBondContact O-N 3.18Å; T63-G66 VanDerWaalsContact O-N 3.12Å; L64-G66 PolarHBondContact O-N 3.44Å; G66-F69 PolarHBondContact O-N 2.89Å; G66-F70 PolarHBondContact O-N 3.44Å; G66-F70 VanDerWaalsContact O-N 3.1Å
67I92.8Very high89.7Confident15 Ų1534.9 Ų34.98%0.07718%0.183CC..Hα-helixtrans-59.7-50-171.5-64.6-172.5000112.8L64 F69 F70 A71 F137 S140 M141 A144L64-I67 HydrophobicContact CB-CD1 4.3Å; L64-I67 HydrophobicContact CD2-CD1 3.44Å; L64-I67 VanDerWaalsContact CD2-CD1 3.44Å; L64-I67 HydrophobicContact CD2-CG1 4.43Å; L64-I67 HydrophobicContact CG-CD1 4.47Å; L64-I67 WeakPolarHBondContact O-CB 3.43Å; L64-I67 PolarHBondContact O-N 3.36Å; L64-I67 VanDerWaalsContact O-N 3.09Å; I67-F69 PolarHBondContact O-N 3.27Å; I67-F70 PolarHBondContact O-N 3.45Å; I67-A71 WeakPolarHBondContact O-CB 3.26Å; I67-A71 PolarHBondContact O-N 2.96Å; I67-F137 HydrophobicContact CB-CE2 4.48Å; I67-F137 HydrophobicContact CD1-CD2 4.11Å; I67-F137 HydrophobicContact CD1-CE2 4.24Å; I67-F137 HydrophobicContact CG1-CD2 3.71Å; I67-F137 HydrophobicContact CG1-CE2 3.35Å; I67-F137 HydrophobicContact CG1-CG 4.5Å; I67-F137 HydrophobicContact CG1-CZ 3.88Å; I67-S140 VanDerWaalsContact CD1-CB 3.43Å; I67-S140 WeakPolarHBondContact CD1-OG 3.37Å; I67-M141 HydrophobicContact CB-SD 3.88Å; I67-M141 HydrophobicContact CD1-CG 4.37Å; I67-M141 HydrophobicContact CD1-SD 4.35Å; I67-M141 HydrophobicContact CG1-CG 4.1Å; I67-M141 HydrophobicContact CG1-SD 3.67Å; I67-M141 HydrophobicContact CG2-SD 3.69Å; I67-A144 HydrophobicContact CG2-CB 4.21Å
68P91.4Very high90Very high60 Ų6028.3 Ų28.339%0.3915%0.148SC..Hα-helixtrans-57.7-35.8-179-25.435.9000112.7L65 M72L65-P68 WeakPolarHBondContact O-CD 3.49Å; P68-M72 WeakPolarHBondContact O-CB 3.44Å; P68-M72 PolarHBondContact O-N 3.45Å
69F91.4Very high90.5Very high9 Ų927.6 Ų27.64%0.03914%0.141CC..Hα-helixtrans-73.9-45.8-179.3-57.7-77.9000112.1L65 G66 I67 M72 G73 G541 I542 L545 L556L65-F69 WeakPolarHBondContact O-CD2 3.21Å; L65-F69 WeakPolarHBondContact O-CE2 3.29Å; G66-F69 PolarHBondContact O-N 2.89Å; I67-F69 PolarHBondContact O-N 3.27Å; F69-M72 WeakPolarHBondContact O-CB 3.35Å; F69-M72 PolarHBondContact O-N 3.46Å; F69-G73 PolarHBondContact O-N 3.11Å; F69-G541 WeakPolarHBondContact CE1-O 3.17Å; F69-I542 HydrophobicContact CB-CG2 4.17Å; F69-I542 HydrophobicContact CD1-CG2 4.03Å; F69-I542 HydrophobicContact CG-CG2 4.32Å; F69-L545 HydrophobicContact CD1-CD1 4.37Å; F69-L545 HydrophobicContact CD2-CD1 4.18Å; F69-L545 HydrophobicContact CE1-CD1 4.17Å; F69-L545 HydrophobicContact CE1-CD2 4.35Å; F69-L545 HydrophobicContact CE1-CG 4.22Å; F69-L545 HydrophobicContact CE2-CD1 3.97Å; F69-L545 HydrophobicContact CE2-CD2 3.82Å; F69-L545 HydrophobicContact CE2-CG 4.3Å; F69-L545 HydrophobicContact CG-CD1 4.38Å; F69-L545 HydrophobicContact CZ-CD1 3.97Å; F69-L545 HydrophobicContact CZ-CD2 3.57Å; F69-L545 HydrophobicContact CZ-CG 3.91Å; F69-L556 HydrophobicContact CD2-CD2 4.2Å
70F94Very high90.8Very high2 Ų220.6 Ų20.61%0.00911%0.11CC..Hα-helixtrans-67.4-43.2178.1-68.9-4.3000112G66 I67 M72 G73 H74 F137 M141 L488 Y492 L556G66-F70 PolarHBondContact O-N 3.44Å; G66-F70 VanDerWaalsContact O-N 3.1Å; I67-F70 PolarHBondContact O-N 3.45Å; F70-M72 VanDerWaalsContact C-N 3.29Å; F70-M72 PolarHBondContact O-N 2.68Å; F70-G73 PolarHBondContact O-N 3.16Å; F70-H74 PolarHBondContact O-N 2.96Å; F70-H74 VanDerWaalsContact O-N 3.08Å; F70-F137 HydrophobicContact CD2-CE1 4.06Å; F70-F137 AromaticContact CD2-CZ 3.58Å; F70-F137 HydrophobicContact CD2-CZ 3.58Å; F70-F137 HydrophobicContact CE2-CE1 4.15Å; F70-F137 AromaticContact CE2-CZ 3.69Å; F70-F137 HydrophobicContact CE2-CZ 3.69Å; F70-M141 HydrophobicContact CB-CE 3.72Å; F70-M141 HydrophobicContact CB-SD 4.25Å; F70-L488 HydrophobicContact CE2-CB 4.49Å; F70-Y492 HydrophobicContact CB-CD2 3.77Å; F70-Y492 HydrophobicContact CB-CE2 3.64Å; F70-Y492 HydrophobicContact CB-CG 4.45Å; F70-Y492 AromaticContact CD1-CD1 3.94Å; F70-Y492 HydrophobicContact CD1-CD1 3.94Å; F70-Y492 HydrophobicContact CD1-CD2 4.15Å; F70-Y492 HydrophobicContact CD1-CE1 4.05Å; F70-Y492 HydrophobicContact CD1-CE2 4.25Å; F70-Y492 AromaticContact CD1-CG 3.98Å; F70-Y492 HydrophobicContact CD1-CG 3.98Å; F70-Y492 AromaticContact CD2-CD2 3.95Å; F70-Y492 HydrophobicContact CD2-CD2 3.95Å; F70-Y492 AromaticContact CD2-CG 3.99Å; F70-Y492 HydrophobicContact CD2-CG 3.99Å; F70-Y492 HydrophobicContact CE1-CD1 4.07Å; F70-Y492 HydrophobicContact CE1-CE1 4.5Å; F70-Y492 HydrophobicContact CE1-CG 4.22Å; F70-Y492 HydrophobicContact CE2-CG 4.24Å; F70-Y492 HydrophobicContact CG-CD1 4.31Å; F70-Y492 AromaticContact CG-CD2 3.7Å; F70-Y492 HydrophobicContact CG-CD2 3.7Å; F70-Y492 AromaticContact CG-CE2 3.94Å; F70-Y492 HydrophobicContact CG-CE2 3.94Å; F70-Y492 AromaticContact CG-CG 3.89Å; F70-Y492 HydrophobicContact CG-CG 3.89Å; F70-Y492 HydrophobicContact CZ-CG 4.36Å; F70-Y492 PolarHBondContact O-OH 3.16Å; F70-L556 HydrophobicContact CE1-CD1 3.56Å; F70-L556 HydrophobicContact CZ-CD1 3.57Å
71A93.4Very high91.2Very high0 Ų013.7 Ų13.70%08%0.08CC..Hα-helixtrans-66.7-32.7176.500000111.8N46 I67 G75 A144 N148N46-A71 WeakPolarHBondContact OD1-CB 3.43Å; I67-A71 WeakPolarHBondContact O-CB 3.26Å; I67-A71 PolarHBondContact O-N 2.96Å; A71-G75 PolarHBondContact O-N 3.35Å; A71-A144 HydrophobicContact CB-CB 4.34Å; A71-N148 PolarHBondContact O-ND2 3.44Å
72M91.8Very high91.6Very high15 Ų1512.1 Ų12.17%0.0747%0.072CC..Hα-helixtrans-61-52.8169.8-176.1178.5-7000111.1V14 P68 F69 F70 H74 G75 T76V14-M72 HydrophobicContact CB-SD 4.19Å; V14-M72 HydrophobicContact CG1-CE 4.48Å; V14-M72 HydrophobicContact CG1-SD 3.75Å; V14-M72 HydrophobicContact CG2-SD 3.78Å; P68-M72 WeakPolarHBondContact O-CB 3.44Å; P68-M72 PolarHBondContact O-N 3.45Å; F69-M72 WeakPolarHBondContact O-CB 3.35Å; F69-M72 PolarHBondContact O-N 3.46Å; F70-M72 VanDerWaalsContact C-N 3.29Å; F70-M72 PolarHBondContact O-N 2.68Å; M72-H74 VanDerWaalsContact C-N 3.33Å; M72-H74 PolarHBondContact O-N 3.01Å; M72-G75 PolarHBondContact O-N 3.25Å; M72-G75 VanDerWaalsContact O-N 3.16Å; M72-T76 HydrophobicContact CG-CG2 4.13Å; M72-T76 WeakPolarHBondContact O-CB 3.03Å; M72-T76 PolarHBondContact O-N 3.34Å; M72-T76 PolarHBondContact O-OG1 3.07Å
73G92.4Very high92.1Very high0 Ų09.2 Ų9.20%05%0.051CC..Hα-helixtrans-59.4-38.2-179.900000114.4F69 F70 T76 N534F69-G73 PolarHBondContact O-N 3.11Å; F70-G73 PolarHBondContact O-N 3.16Å; G73-T76 PolarHBondContact O-OG1 3Å; G73-N534 PolarHBondContact O-ND2 2.68Å; G73-N534 PolarHBondContact O-OD1 2.86Å; G73-N534 VanDerWaalsContact O-OD1 3.13Å
74H94.5Very high92.4Very high0 Ų09.9 Ų9.90%06%0.057CC..Hα-helixtrans-71.1-44.6173.1174.6-91.8000112.2F70 M72 K77 Y110 S114 Y117F70-H74 PolarHBondContact O-N 2.96Å; F70-H74 VanDerWaalsContact O-N 3.08Å; M72-H74 VanDerWaalsContact C-N 3.33Å; M72-H74 PolarHBondContact O-N 3.01Å; H74-K77 VanDerWaalsContact O-CB 3.32Å; H74-K77 WeakPolarHBondContact O-CB 3.18Å; H74-K77 PolarHBondContact O-N 3.35Å; H74-Y110 AromaticContact CE1-CE2 3.73Å; H74-Y110 AromaticContact CE1-CZ 3.68Å; H74-Y110 PolarHBondContact CE1-OH 2.96Å; H74-Y110 AromaticContact NE2-CE2 3.92Å; H74-S114 PolarHBondContact CE1-OG 3.42Å; H74-S114 VanDerWaalsContact CE1-OG 3.24Å; H74-S114 PolarHBondContact NE2-OG 3.23Å; H74-Y117 HydrophobicContact CB-CE1 4.15Å; H74-Y117 AromaticContact CD2-CD2 3.64Å; H74-Y117 AromaticContact CD2-CE1 3.99Å; H74-Y117 AromaticContact CD2-CE2 3.49Å; H74-Y117 VanDerWaalsContact CD2-CE2 3.49Å; H74-Y117 WeakPolarHBondContact CD2-CE2 3.38Å; H74-Y117 AromaticContact CD2-CG 3.92Å; H74-Y117 AromaticContact CD2-CZ 3.68Å
75G93.8Very high92.4Very high0 Ų09.2 Ų9.20%06%0.055CC..Hα-helixtrans-66.2-41.9-178.200000113.4A71 M72 K77 G78 V79 N148A71-G75 PolarHBondContact O-N 3.35Å; M72-G75 PolarHBondContact O-N 3.25Å; M72-G75 VanDerWaalsContact O-N 3.16Å; G75-K77 PolarHBondContact O-N 3.26Å; G75-G78 PolarHBondContact O-N 2.75Å; G75-V79 PolarHBondContact O-N 3.42Å; G75-N148 WeakPolarHBondContact CA-ND2 3.17Å; G75-N148 PolarHBondContact N-ND2 3.05Å
76T94.2Very high92.6Very high0 Ų06.7 Ų6.70%04%0.041CC..Hα-helixtrans-67.2-27.1-178.847.50000111.4V39 I42 M72 G73 V79 F80 N534V39-T76 HydrophobicContact CG2-CG2 4.4Å; I42-T76 HydrophobicContact CD1-CG2 3.41Å; I42-T76 VanDerWaalsContact CD1-CG2 3.41Å; M72-T76 HydrophobicContact CG-CG2 4.13Å; M72-T76 WeakPolarHBondContact O-CB 3.03Å; M72-T76 PolarHBondContact O-N 3.34Å; M72-T76 PolarHBondContact O-OG1 3.07Å; G73-T76 PolarHBondContact O-OG1 3Å; T76-V79 PolarHBondContact O-N 3.03Å; T76-F80 HydrophobicContact CG2-CE2 4.38Å; T76-F80 WeakPolarHBondContact O-CB 3.41Å; T76-F80 WeakPolarHBondContact O-CD2 3.42Å; T76-F80 WeakPolarHBondContact O-CG 3.43Å; T76-F80 PolarHBondContact O-N 3.37Å; T76-N534 VanDerWaalsContact C-OD1 3.29Å; T76-N534 WeakPolarHBondContact CB-OD1 3.12Å; T76-N534 PolarHBondContact OG1-OD1 3.07Å
77K94.2Very high92.5Very high2 Ų27.5 Ų7.51%0.0094%0.044CC..Hα-helixtrans-56.8-53.8170.9-177.5-159.2175.2-168.60110.8H74 G75 V79 F80 E81 T113 D499 N534H74-K77 VanDerWaalsContact O-CB 3.32Å; H74-K77 WeakPolarHBondContact O-CB 3.18Å; H74-K77 PolarHBondContact O-N 3.35Å; G75-K77 PolarHBondContact O-N 3.26Å; K77-V79 VanDerWaalsContact C-N 3.29Å; K77-V79 PolarHBondContact O-N 3.29Å; K77-F80 PolarHBondContact O-N 3.42Å; K77-E81 WeakPolarHBondContact CE-OE1 3.3Å; K77-E81 HydrophobicContact CG-CG 4.31Å; K77-E81 WeakPolarHBondContact O-CB 3.35Å; K77-E81 WeakPolarHBondContact O-CG 3.33Å; K77-E81 PolarHBondContact O-N 3.36Å; K77-T113 PolarHBondContact NZ-OG1 2.94Å; K77-D499 HydrophobicContact CD-CB 3.9Å; K77-D499 IonicContact NZ-OD1 3.74Å; K77-D499 PolarHBondContact NZ-OD1 2.92Å; K77-N534 PolarHBondContact N-OD1 2.83Å
78G93.3Very high92.1Very high1 Ų111 Ų111%0.016%0.056CC..Hα-helixtrans-60.1-39.7179.900000112.5G75 L82G75-G78 PolarHBondContact O-N 2.75Å; G78-L82 WeakPolarHBondContact O-CB 3.36Å; G78-L82 PolarHBondContact O-N 3.49Å
79V95.4Very high91.8Very high1 Ų18.8 Ų8.81%0.0064%0.041CC..Hα-helixtrans-60.7-51.9175.6165.60000111.9I42 G75 T76 K77 L83 V152 Y156I42-V79 HydrophobicContact CD1-CG2 4.16Å; G75-V79 PolarHBondContact O-N 3.42Å; T76-V79 PolarHBondContact O-N 3.03Å; K77-V79 VanDerWaalsContact C-N 3.29Å; K77-V79 PolarHBondContact O-N 3.29Å; V79-L83 WeakPolarHBondContact O-CB 3.2Å; V79-L83 PolarHBondContact O-N 3.27Å; V79-V152 HydrophobicContact CG2-CG2 4.46Å; V79-Y156 HydrophobicContact CB-CE1 4.21Å; V79-Y156 HydrophobicContact CB-CE2 4.46Å; V79-Y156 HydrophobicContact CG1-CE1 4.22Å; V79-Y156 HydrophobicContact CG1-CE2 3.82Å; V79-Y156 WeakPolarHBondContact CG1-OH 3.5Å; V79-Y156 HydrophobicContact CG2-CD1 4.25Å; V79-Y156 HydrophobicContact CG2-CD2 4.26Å; V79-Y156 HydrophobicContact CG2-CE1 4.23Å; V79-Y156 HydrophobicContact CG2-CE2 4.25Å; V79-Y156 HydrophobicContact CG2-CG 4.25Å; V79-Y156 PolarHBondContact O-OH 3.23Å
80F95Very high91.2Very high1 Ų117.7 Ų17.70%0.0048%0.075CC..Hα-helixtrans-75.2-35.9-175.8-67.7-50.9000112.9A18 T76 K77 L83 A84 A530 Q533 N534 C537A18-F80 HydrophobicContact CB-CE1 4.41Å; A18-F80 HydrophobicContact CB-CZ 3.94Å; T76-F80 HydrophobicContact CG2-CE2 4.38Å; T76-F80 WeakPolarHBondContact O-CB 3.41Å; T76-F80 WeakPolarHBondContact O-CD2 3.42Å; T76-F80 WeakPolarHBondContact O-CG 3.43Å; T76-F80 PolarHBondContact O-N 3.37Å; K77-F80 PolarHBondContact O-N 3.42Å; F80-L83 PolarHBondContact O-N 3.1Å; F80-A84 VanDerWaalsContact O-CB 3.28Å; F80-A84 WeakPolarHBondContact O-CB 3.49Å; F80-A84 PolarHBondContact O-N 2.67Å; F80-A530 HydrophobicContact CB-CB 4.39Å; F80-Q533 HydrophobicContact CB-CB 4.35Å; F80-Q533 HydrophobicContact CD1-CB 4Å; F80-Q533 HydrophobicContact CD2-CB 3.92Å; F80-Q533 HydrophobicContact CE1-CB 4.27Å; F80-Q533 HydrophobicContact CE2-CB 4.18Å; F80-Q533 HydrophobicContact CG-CB 3.84Å; F80-Q533 HydrophobicContact CZ-CB 4.36Å; F80-N534 HydrophobicContact CD2-CB 4.17Å; F80-C537 HydrophobicContact CE2-CB 4.13Å; F80-C537 VanDerWaalsContact CZ-SG 3.55Å
81E92.4Very high90.3Very high14 Ų1420.1 Ų20.17%0.0659%0.086CC..Hα-helixtrans-65.4-41.8173.4-75.4-173.1178.100111.2K77 L83 A84 G85 V106 A530K77-E81 WeakPolarHBondContact CE-OE1 3.3Å; K77-E81 HydrophobicContact CG-CG 4.31Å; K77-E81 WeakPolarHBondContact O-CB 3.35Å; K77-E81 WeakPolarHBondContact O-CG 3.33Å; K77-E81 PolarHBondContact O-N 3.36Å; E81-L83 VanDerWaalsContact C-N 3.35Å; E81-A84 PolarHBondContact O-N 3.39Å; E81-G85 PolarHBondContact O-N 2.87Å; E81-V106 HydrophobicContact CB-CG1 3.61Å; E81-V106 WeakPolarHBondContact O-CG2 3.5Å; E81-A530 HydrophobicContact CG-CB 4.12Å
82L93.9Very high89.5Confident0 Ų027.8 Ų27.80%013%0.127CC..Hα-helixtrans-68.2-37.9178.4-168.572.2000111.2G78 G85 W86 F103 V106 M107 Y156 L160G78-L82 WeakPolarHBondContact O-CB 3.36Å; G78-L82 PolarHBondContact O-N 3.49Å; L82-G85 PolarHBondContact O-N 3.25Å; L82-W86 PolarHBondContact O-N 2.97Å; L82-F103 HydrophobicContact CD1-CD2 3.97Å; L82-F103 HydrophobicContact CD1-CE2 4.11Å; L82-F103 HydrophobicContact CD1-CG 4.41Å; L82-F103 HydrophobicContact CD2-CE2 3.93Å; L82-F103 HydrophobicContact CD2-CZ 4.11Å; L82-V106 HydrophobicContact CB-CG1 4.37Å; L82-V106 HydrophobicContact CD1-CB 4.15Å; L82-V106 HydrophobicContact CD1-CG1 4.39Å; L82-M107 HydrophobicContact CD1-CG 4.37Å; L82-Y156 HydrophobicContact CB-CE1 4.19Å; L82-Y156 HydrophobicContact CD2-CD1 3.8Å; L82-Y156 HydrophobicContact CD2-CE1 3.8Å; L82-Y156 HydrophobicContact CG-CE1 4.48Å; L82-L160 HydrophobicContact CD1-CD2 4.44Å; L82-L160 HydrophobicContact CD2-CD2 3.75Å; L82-L160 HydrophobicContact CG-CD2 3.76Å
83L92.6Very high89.1Confident0 Ų029.4 Ų29.40%014%0.136CC..Hα-helixtrans-63-44.7171.2176.262.1000111.1K31 L34 V79 F80 E81 W86 R87K31-L83 HydrophobicContact CB-CD1 3.89Å; K31-L83 HydrophobicContact CG-CD1 3.9Å; L34-L83 HydrophobicContact CD2-CD1 3.81Å; V79-L83 WeakPolarHBondContact O-CB 3.2Å; V79-L83 PolarHBondContact O-N 3.27Å; F80-L83 PolarHBondContact O-N 3.1Å; E81-L83 VanDerWaalsContact C-N 3.35Å; L83-W86 WeakPolarHBondContact O-CB 3.29Å; L83-W86 PolarHBondContact O-N 3.01Å; L83-R87 VanDerWaalsContact O-CG 3.26Å; L83-R87 WeakPolarHBondContact O-CG 3.41Å; L83-R87 PolarHBondContact O-N 3.17Å
84A89.9Confident89Confident16 Ų1632.2 Ų32.213%0.13215%0.154CC..Hα-helixtrans-64.3-39.4176.900000112.1F80 E81 R87 R88 A530F80-A84 VanDerWaalsContact O-CB 3.28Å; F80-A84 WeakPolarHBondContact O-CB 3.49Å; F80-A84 PolarHBondContact O-N 2.67Å; E81-A84 PolarHBondContact O-N 3.39Å; A84-R87 PolarHBondContact O-N 3.36Å; A84-R88 PolarHBondContact O-N 3Å; A84-R88 VanDerWaalsContact O-N 3.13Å; A84-A530 HydrophobicContact CB-CB 3.95Å
85G89.1Confident88.8Confident3 Ų334.1 Ų34.13%0.03116%0.162CC..Hα-helixtrans-59.1-47.317200000111.8E81 L82 R87 R88 T89E81-G85 PolarHBondContact O-N 2.87Å; L82-G85 PolarHBondContact O-N 3.25Å; G85-R87 VanDerWaalsContact C-N 3.3Å; G85-R87 PolarHBondContact O-N 2.62Å; G85-R88 WeakPolarHBondContact O-CB 3.41Å; G85-R88 PolarHBondContact O-N 3.04Å; G85-T89 PolarHBondContact O-N 3.25Å
86W90.2Very high88.7Confident0 Ų041.4 Ų41.40%019%0.194CC..Hα-helixtrans-55.1-45173.5175.7-95.4000112.3L82 L83 R88 T89 F95 R98 V99 L160 E167L82-W86 PolarHBondContact O-N 2.97Å; L83-W86 WeakPolarHBondContact O-CB 3.29Å; L83-W86 PolarHBondContact O-N 3.01Å; W86-R88 PolarHBondContact O-N 3.31Å; W86-T89 WeakPolarHBondContact O-CB 3.49Å; W86-T89 PolarHBondContact O-N 2.83Å; W86-T89 VanDerWaalsContact O-N 3.17Å; W86-T89 PolarHBondContact O-OG1 3.17Å; W86-F95 HydrophobicContact CH2-CB 4.38Å; W86-R98 HydrophobicContact CE3-CB 4.14Å; W86-R98 HydrophobicContact CH2-CB 3.73Å; W86-R98 HydrophobicContact CZ3-CB 3.43Å; W86-R98 VanDerWaalsContact CZ3-CB 3.43Å; W86-V99 HydrophobicContact CE3-CG2 4.21Å; W86-V99 HydrophobicContact CH2-CG2 4.28Å; W86-V99 HydrophobicContact CZ3-CB 4.34Å; W86-V99 HydrophobicContact CZ3-CG2 3.48Å; W86-V99 VanDerWaalsContact CZ3-CG2 3.48Å; W86-L160 HydrophobicContact CB-CD1 3.97Å; W86-L160 HydrophobicContact CD2-CD1 3.93Å; W86-L160 HydrophobicContact CE3-CD1 4.17Å; W86-L160 HydrophobicContact CE3-CD2 4.43Å; W86-L160 HydrophobicContact CE3-CG 4.3Å; W86-L160 HydrophobicContact CG-CD1 3.84Å; W86-E167 WeakPolarHBondContact CZ2-OE2 3.17Å; W86-E167 PolarHBondContact NE1-OE2 3.28Å
87R87.2Confident88.5Confident19 Ų1946.1 Ų46.17%0.07222%0.216CC..Hα-helixtrans-65.7-21.9178.6-64.7-178.7177.8177.5-3.8113.5S22 L83 A84 G85 Y211 H214S22-R87 PolarHBondContact O-NH2 2.72Å; L83-R87 VanDerWaalsContact O-CG 3.26Å; L83-R87 WeakPolarHBondContact O-CG 3.41Å; L83-R87 PolarHBondContact O-N 3.17Å; A84-R87 PolarHBondContact O-N 3.36Å; G85-R87 VanDerWaalsContact C-N 3.3Å; G85-R87 PolarHBondContact O-N 2.62Å; R87-Y211 HydrophobicContact CB-CD1 3.51Å; R87-Y211 HydrophobicContact CB-CD2 4.47Å; R87-Y211 HydrophobicContact CB-CE1 3.96Å; R87-Y211 HydrophobicContact CB-CG 3.79Å; R87-Y211 HydrophobicContact CG-CD1 3.38Å; R87-Y211 HydrophobicContact CG-CE1 3.47Å; R87-Y211 VanDerWaalsContact CG-CE1 3.47Å; R87-Y211 HydrophobicContact CG-CG 4.18Å; R87-Y211 WeakPolarHBondContact O-CB 3.5Å; R87-Y211 VanDerWaalsContact O-CD2 3.3Å; R87-Y211 WeakPolarHBondContact O-CD2 3.42Å; R87-Y211 VanDerWaalsContact O-CG 3.32Å; R87-H214 PolarHBondContact NH1-CD2 3.19Å; R87-H214 PolarHBondContact NH1-CE1 2.93Å; R87-H214 PolarHBondContact NH1-NE2 3.27Å; R87-H214 VanDerWaalsContact NH1-NE2 3.1Å
88R83.8Confident88.3Confident88 Ų8846.6 Ų46.633%0.33222%0.218SC..Hα-helixtrans-84.1-17.1175.6-73.3-172.8-74.2124.17.9113.4A84 G85 W86 D105 E526A84-R88 PolarHBondContact O-N 3Å; A84-R88 VanDerWaalsContact O-N 3.13Å; G85-R88 WeakPolarHBondContact O-CB 3.41Å; G85-R88 PolarHBondContact O-N 3.04Å; W86-R88 PolarHBondContact O-N 3.31Å; R88-D105 IonicContact CZ-OD2 3.83Å; R88-D105 IonicContact NH1-OD2 2.75Å; R88-D105 PolarHBondContact NH1-OD2 3.22Å; R88-D105 IonicContact NH2-OD2 3.14Å; R88-D105 PolarHBondContact NH2-OD2 2.88Å; R88-E526 IonicContact CZ-OE1 3.67Å; R88-E526 IonicContact NH1-OE1 3.21Å; R88-E526 PolarHBondContact NH1-OE1 3.31Å
89T85.4Confident88.2Confident14 Ų1447.3 Ų47.39%0.08622%0.222CC..SBendtrans-67.3155.2179.464.10000112.3G85 W86 E91 R98 D101 A102G85-T89 PolarHBondContact O-N 3.25Å; W86-T89 WeakPolarHBondContact O-CB 3.49Å; W86-T89 PolarHBondContact O-N 2.83Å; W86-T89 VanDerWaalsContact O-N 3.17Å; W86-T89 PolarHBondContact O-OG1 3.17Å; T89-E91 PolarHBondContact O-N 3.34Å; T89-R98 HydrophobicContact CG2-CB 4.38Å; T89-R98 WeakPolarHBondContact CG2-O 3.29Å; T89-R98 PolarHBondContact OG1-NE 3.02Å; T89-R98 PolarHBondContact OG1-NH2 3.49Å; T89-D101 HydrophobicContact CG2-CB 4.1Å; T89-A102 HydrophobicContact CG2-CB 4.16Å
90R78.7Confident88.1Confident196 Ų19649.9 Ų49.974%0.7424%0.244SC*.  trans-73.9125.8178-63178.6-178-177.30.2110.2N92 L93 R98R90-N92 PolarHBondContact O-N 3.29Å; R90-L93 HydrophobicContact CB-CD1 3.96Å; R90-L93 HydrophobicContact CB-CG 4.05Å; R90-L93 PolarHBondContact O-N 2.64Å; R90-R98 VanDerWaalsContact O-CD 3.29Å; R90-R98 WeakPolarHBondContact O-CD 3.42Å; R90-R98 WeakPolarHBondContact O-CG 3.47Å
91E75.4Confident87.8Confident52 Ų5253.9 Ų53.924%0.24327%0.265CS..THydrogen-bonded Turntrans-64.5-28.2-177-65.4-173.8-176.700113.7R29 T89 L93 P210 Y211R29-E91 WeakPolarHBondContact CD-OE1 3.41Å; R29-E91 IonicContact CZ-OE1 3.49Å; R29-E91 IonicContact CZ-OE2 3.82Å; R29-E91 VanDerWaalsContact NE-CD 3.34Å; R29-E91 IonicContact NE-OE1 3.6Å; R29-E91 PolarHBondContact NE-OE1 3.21Å; R29-E91 IonicContact NE-OE2 3.43Å; R29-E91 PolarHBondContact NE-OE2 3.04Å; R29-E91 IonicContact NH2-OE1 3.63Å; R29-E91 IonicContact NH2-OE2 2.67Å; R29-E91 PolarHBondContact NH2-OE2 3.44Å; T89-E91 PolarHBondContact O-N 3.34Å; E91-L93 PolarHBondContact O-N 3.17Å; E91-P210 WeakPolarHBondContact OE1-CB 3.43Å; E91-P210 WeakPolarHBondContact OE1-CG 3.4Å; E91-Y211 HydrophobicContact CG-CD2 4.46Å; E91-Y211 HydrophobicContact CG-CE2 4.16Å; E91-Y211 VanDerWaalsContact OE1-CD2 3.29Å; E91-Y211 WeakPolarHBondContact OE1-CD2 3.33Å; E91-Y211 VanDerWaalsContact OE1-CE2 3.3Å; E91-Y211 WeakPolarHBondContact OE1-CE2 3.32Å
92N77.2Confident87.7Confident161 Ų16153.2 Ų53.286%0.86126%0.262SS*.THydrogen-bonded Turntrans-71.5-14.1-177.1-58.2-5.3000113.2R90R90-N92 PolarHBondContact O-N 3.29Å
93L83.3Confident87.7Confident50 Ų5055.1 Ų55.126%0.26227%0.27SS..SBendtrans-81.4146.7-179.7-62.7175.2000110.7R90 E91 E97 R98R90-L93 HydrophobicContact CB-CD1 3.96Å; R90-L93 HydrophobicContact CB-CG 4.05Å; R90-L93 PolarHBondContact O-N 2.64Å; E91-L93 PolarHBondContact O-N 3.17Å; L93-E97 HydrophobicContact CB-CB 4.37Å; L93-R98 HydrophobicContact CB-CG 3.8Å; L93-R98 WeakPolarHBondContact O-CD 3.47Å
94P88.9Confident87.5Confident58 Ų5858.4 Ų58.438%0.37730%0.297SS..  trans-53.6146.1171-2332.5000111.6K96 E97 R98P94-K96 PolarHBondContact O-N 2.91Å; P94-E97 PolarHBondContact O-N 3.14Å; P94-R98 PolarHBondContact O-N 3.16Å; P94-R98 VanDerWaalsContact O-N 3.14Å
95F90Very high87.2Confident41 Ų4161.4 Ų61.418%0.1831%0.311CS..Hα-helixtrans-53.2-33.9-176.778.7-92.3000112.8W86 R98 V99 V161 Q168W86-F95 HydrophobicContact CH2-CB 4.38Å; F95-R98 PolarHBondContact O-N 3.49Å; F95-V99 WeakPolarHBondContact O-CG2 3.35Å; F95-V99 PolarHBondContact O-N 3.32Å; F95-V161 HydrophobicContact CD2-CG1 4.4Å; F95-V161 HydrophobicContact CE2-CG1 3.93Å; F95-Q168 VanDerWaalsContact CD1-OE1 3.24Å
96K91.9Very high87.3Confident152 Ų15261.6 Ų61.666%0.66131%0.312SS*.Hα-helixtrans-62-45.2178.7-65-176.7180179.40112.5P94 V99 A100P94-K96 PolarHBondContact O-N 2.91Å; K96-V99 PolarHBondContact O-N 2.63Å; K96-A100 PolarHBondContact O-N 3.48Å; K96-A100 VanDerWaalsContact O-N 3.07Å
97E90.6Very high87.3Confident100 Ų10062.2 Ų62.247%0.46732%0.315SS..Hα-helixtrans-69.8-40.9178.6-69.5178.7-169.200110.6L93 P94 V99 A100 D101L93-E97 HydrophobicContact CB-CB 4.37Å; P94-E97 PolarHBondContact O-N 3.14Å; E97-V99 VanDerWaalsContact C-N 3.33Å; E97-V99 PolarHBondContact O-N 3.45Å; E97-A100 WeakPolarHBondContact O-CB 3.46Å; E97-A100 PolarHBondContact O-N 3.32Å; E97-A100 VanDerWaalsContact O-N 3.15Å; E97-D101 PolarHBondContact O-N 2.88Å
98R90.2Very high87.2Confident11 Ų1166.1 Ų66.14%0.04234%0.341CS..Hα-helixtrans-59.3-42.6174.4-64.4-178.763.3-165.8-4.2112.2W86 T89 R90 L93 P94 F95 D101 A102 E167W86-R98 HydrophobicContact CE3-CB 4.14Å; W86-R98 HydrophobicContact CH2-CB 3.73Å; W86-R98 HydrophobicContact CZ3-CB 3.43Å; W86-R98 VanDerWaalsContact CZ3-CB 3.43Å; T89-R98 HydrophobicContact CG2-CB 4.38Å; T89-R98 WeakPolarHBondContact CG2-O 3.29Å; T89-R98 PolarHBondContact OG1-NE 3.02Å; T89-R98 PolarHBondContact OG1-NH2 3.49Å; R90-R98 VanDerWaalsContact O-CD 3.29Å; R90-R98 WeakPolarHBondContact O-CD 3.42Å; R90-R98 WeakPolarHBondContact O-CG 3.47Å; L93-R98 HydrophobicContact CB-CG 3.8Å; L93-R98 WeakPolarHBondContact O-CD 3.47Å; P94-R98 PolarHBondContact O-N 3.16Å; P94-R98 VanDerWaalsContact O-N 3.14Å; F95-R98 PolarHBondContact O-N 3.49Å; R98-D101 PolarHBondContact O-N 3.05Å; R98-A102 WeakPolarHBondContact O-CB 3.45Å; R98-A102 PolarHBondContact O-N 2.99Å; R98-E167 IonicContact CZ-OE1 2.87Å; R98-E167 IonicContact NH1-OE1 3.86Å; R98-E167 PolarHBondContact NH1-OE1 3.42Å; R98-E167 IonicContact NH2-OE1 3.01Å; R98-E167 PolarHBondContact NH2-OE1 3.09Å
99V92.1Very high87.3Confident16 Ų1663.3 Ų63.310%0.09733%0.334CS..Hα-helixtrans-64.1-45176.3172.50000109.8W86 F95 K96 E97 D101 A102 F103 V161W86-V99 HydrophobicContact CE3-CG2 4.21Å; W86-V99 HydrophobicContact CH2-CG2 4.28Å; W86-V99 HydrophobicContact CZ3-CB 4.34Å; W86-V99 HydrophobicContact CZ3-CG2 3.48Å; W86-V99 VanDerWaalsContact CZ3-CG2 3.48Å; F95-V99 WeakPolarHBondContact O-CG2 3.35Å; F95-V99 PolarHBondContact O-N 3.32Å; K96-V99 PolarHBondContact O-N 2.63Å; E97-V99 VanDerWaalsContact C-N 3.33Å; E97-V99 PolarHBondContact O-N 3.45Å; V99-D101 PolarHBondContact O-N 2.87Å; V99-A102 PolarHBondContact O-N 3.15Å; V99-F103 HydrophobicContact CG1-CD2 3.67Å; V99-F103 HydrophobicContact CG1-CE2 3.79Å; V99-F103 WeakPolarHBondContact O-CB 3.35Å; V99-F103 VanDerWaalsContact O-CD2 3.32Å; V99-F103 WeakPolarHBondContact O-CD2 3.47Å; V99-F103 PolarHBondContact O-N 2.94Å; V99-V161 HydrophobicContact CG1-CG2 3.92Å; V99-V161 HydrophobicContact CG2-CG2 4.01Å
100A92.1Very high87.5Confident56 Ų5662.7 Ų62.746%0.46333%0.33SS..Hα-helixtrans-59.1-45.6179.100000111.9K96 E97 F103 A104K96-A100 PolarHBondContact O-N 3.48Å; K96-A100 VanDerWaalsContact O-N 3.07Å; E97-A100 WeakPolarHBondContact O-CB 3.46Å; E97-A100 PolarHBondContact O-N 3.32Å; E97-A100 VanDerWaalsContact O-N 3.15Å; A100-F103 PolarHBondContact O-N 3.45Å; A100-A104 VanDerWaalsContact O-CB 3.29Å; A100-A104 WeakPolarHBondContact O-CB 3.16Å; A100-A104 PolarHBondContact O-N 2.88Å
101D89Confident88.1Confident84 Ų8455.5 Ų55.545%0.44931%0.308SS..Hα-helixtrans-62.4-45.9177.3-74.1-12.7000111.8T89 E97 R98 V99 F103 A104 D105T89-D101 HydrophobicContact CG2-CB 4.1Å; E97-D101 PolarHBondContact O-N 2.88Å; R98-D101 PolarHBondContact O-N 3.05Å; V99-D101 PolarHBondContact O-N 2.87Å; D101-F103 VanDerWaalsContact C-N 3.34Å; D101-F103 PolarHBondContact O-N 3.06Å; D101-A104 PolarHBondContact O-N 2.92Å; D101-D105 WeakPolarHBondContact O-CB 3.45Å; D101-D105 PolarHBondContact O-N 3.48Å; D101-D105 VanDerWaalsContact O-N 3.1Å
102A90.6Very high88.6Confident1 Ų154.9 Ų54.91%0.00831%0.306CS..Hα-helixtrans-62.5-40.9178.500000112.1T89 R98 V99 V106T89-A102 HydrophobicContact CG2-CB 4.16Å; R98-A102 WeakPolarHBondContact O-CB 3.45Å; R98-A102 PolarHBondContact O-N 2.99Å; V99-A102 PolarHBondContact O-N 3.15Å; A102-V106 WeakPolarHBondContact O-CB 3.28Å; A102-V106 WeakPolarHBondContact O-CG2 3.43Å; A102-V106 PolarHBondContact O-N 3.39Å; A102-V106 VanDerWaalsContact O-N 3.08Å
103F92.9Very high89.1Confident39 Ų3947.3 Ų47.317%0.17127%0.266CS..Hα-helixtrans-67.4-45.5176.1-93.6-107.7000112.1L82 V99 A100 D101 D105 V106 M107 F153 L160L82-F103 HydrophobicContact CD1-CD2 3.97Å; L82-F103 HydrophobicContact CD1-CE2 4.11Å; L82-F103 HydrophobicContact CD1-CG 4.41Å; L82-F103 HydrophobicContact CD2-CE2 3.93Å; L82-F103 HydrophobicContact CD2-CZ 4.11Å; V99-F103 HydrophobicContact CG1-CD2 3.67Å; V99-F103 HydrophobicContact CG1-CE2 3.79Å; V99-F103 WeakPolarHBondContact O-CB 3.35Å; V99-F103 VanDerWaalsContact O-CD2 3.32Å; V99-F103 WeakPolarHBondContact O-CD2 3.47Å; V99-F103 PolarHBondContact O-N 2.94Å; A100-F103 PolarHBondContact O-N 3.45Å; D101-F103 VanDerWaalsContact C-N 3.34Å; D101-F103 PolarHBondContact O-N 3.06Å; F103-D105 PolarHBondContact O-N 3.29Å; F103-V106 PolarHBondContact O-N 3Å; F103-M107 HydrophobicContact CB-CG 4.46Å; F103-M107 HydrophobicContact CD1-CB 4.42Å; F103-M107 HydrophobicContact CD1-CG 3.52Å; F103-M107 HydrophobicContact CE1-CG 3.93Å; F103-M107 HydrophobicContact CG-CG 4.12Å; F103-M107 VanDerWaalsContact O-CB 3.29Å; F103-M107 WeakPolarHBondContact O-CB 3.46Å; F103-M107 PolarHBondContact O-N 3.35Å; F103-F153 HydrophobicContact CD1-CD2 4.37Å; F103-F153 HydrophobicContact CD1-CE2 4.26Å; F103-F153 AromaticContact CE1-CD2 3.89Å; F103-F153 HydrophobicContact CE1-CD2 3.89Å; F103-F153 HydrophobicContact CE1-CE2 4.06Å; F103-L160 HydrophobicContact CE2-CD2 4.2Å
104A89.1Confident89.5Confident69 Ų6945.1 Ų45.157%0.5725%0.254SS*.Hα-helixtrans-60.9-36-178.500000112.1A100 D101 V108A100-A104 VanDerWaalsContact O-CB 3.29Å; A100-A104 WeakPolarHBondContact O-CB 3.16Å; A100-A104 PolarHBondContact O-N 2.88Å; D101-A104 PolarHBondContact O-N 2.92Å; A104-V108 WeakPolarHBondContact O-CG2 3.26Å
105D84.3Confident89.6Confident80 Ų8044.9 Ų44.943%0.42825%0.254SS..Hα-helixtrans-78.5-46.7179.2-17042.9000112.5R88 D101 F103R88-D105 IonicContact CZ-OD2 3.83Å; R88-D105 IonicContact NH1-OD2 2.75Å; R88-D105 PolarHBondContact NH1-OD2 3.22Å; R88-D105 IonicContact NH2-OD2 3.14Å; R88-D105 PolarHBondContact NH2-OD2 2.88Å; D101-D105 WeakPolarHBondContact O-CB 3.45Å; D101-D105 PolarHBondContact O-N 3.48Å; D101-D105 VanDerWaalsContact O-N 3.1Å; F103-D105 PolarHBondContact O-N 3.29Å
106V90.3Very high89.4Confident7 Ų743.3 Ų43.34%0.04225%0.247CC..Hα-helixtrans-91.1-44.6-169178.40000113.3E81 L82 A102 F103 V108 C109 Y110E81-V106 HydrophobicContact CB-CG1 3.61Å; E81-V106 WeakPolarHBondContact O-CG2 3.5Å; L82-V106 HydrophobicContact CB-CG1 4.37Å; L82-V106 HydrophobicContact CD1-CB 4.15Å; L82-V106 HydrophobicContact CD1-CG1 4.39Å; A102-V106 WeakPolarHBondContact O-CB 3.28Å; A102-V106 WeakPolarHBondContact O-CG2 3.43Å; A102-V106 PolarHBondContact O-N 3.39Å; A102-V106 VanDerWaalsContact O-N 3.08Å; F103-V106 PolarHBondContact O-N 3Å; V106-V108 VanDerWaalsContact C-N 3.27Å; V106-V108 PolarHBondContact O-N 2.89Å; V106-C109 PolarHBondContact O-N 3.36Å; V106-C109 VanDerWaalsContact O-N 3.16Å; V106-Y110 PolarHBondContact O-N 3.25Å
107M90.3Very high89.3Confident12 Ų1236.1 Ų36.16%0.05922%0.216CC..Hα-helixtrans-68.8-25.1-169-75.2-59.3-49.900113.4L82 F103 Y110 T111 Y149 F153L82-M107 HydrophobicContact CD1-CG 4.37Å; F103-M107 HydrophobicContact CB-CG 4.46Å; F103-M107 HydrophobicContact CD1-CB 4.42Å; F103-M107 HydrophobicContact CD1-CG 3.52Å; F103-M107 HydrophobicContact CE1-CG 3.93Å; F103-M107 HydrophobicContact CG-CG 4.12Å; F103-M107 VanDerWaalsContact O-CB 3.29Å; F103-M107 WeakPolarHBondContact O-CB 3.46Å; F103-M107 PolarHBondContact O-N 3.35Å; M107-Y110 HydrophobicContact CE-CD1 3.72Å; M107-Y110 PolarHBondContact O-N 3.43Å; M107-Y110 HydrophobicContact SD-CD1 4.12Å; M107-T111 WeakPolarHBondContact O-CB 3.32Å; M107-T111 PolarHBondContact O-N 2.91Å; M107-T111 PolarHBondContact O-OG1 3.42Å; M107-Y149 HydrophobicContact CE-CD2 4.49Å; M107-Y149 HydrophobicContact CE-CE2 3.81Å; M107-F153 HydrophobicContact CE-CB 4.08Å; M107-F153 HydrophobicContact CE-CD2 3.95Å; M107-F153 HydrophobicContact CE-CG 4.5Å
108V85.6Confident89.3Confident102 Ų10234.1 Ų34.162%0.61821%0.208SC*.Hα-helixtrans-64.2-47.5174.3179.90000110.2A104 V106 T111 M112A104-V108 WeakPolarHBondContact O-CG2 3.26Å; V106-V108 VanDerWaalsContact C-N 3.27Å; V106-V108 PolarHBondContact O-N 2.89Å; V108-T111 PolarHBondContact O-N 3.29Å; V108-M112 PolarHBondContact O-N 3.1Å; V108-M112 VanDerWaalsContact O-N 3.1Å
109C84.8Confident89.1Confident29 Ų2936.5 Ų36.520%0.19622%0.221CC..Hα-helixtrans-65.1-42.6176.7-1710000111.6V106 T111 M112 T113V106-C109 PolarHBondContact O-N 3.36Å; V106-C109 VanDerWaalsContact O-N 3.16Å; C109-T111 PolarHBondContact O-N 3.37Å; C109-M112 PolarHBondContact O-N 2.87Å; C109-T113 PolarHBondContact O-N 2.99Å; C109-T113 PolarHBondContact O-OG1 2.86Å
110Y91.1Very high88.6Confident0 Ų035.7 Ų35.70%022%0.216CC..Hα-helixtrans-64.5-37.6178-172.4-117000112.7H74 V106 M107 T113 S114 Y149 V152H74-Y110 AromaticContact CE1-CE2 3.73Å; H74-Y110 AromaticContact CE1-CZ 3.68Å; H74-Y110 PolarHBondContact CE1-OH 2.96Å; H74-Y110 AromaticContact NE2-CE2 3.92Å; V106-Y110 PolarHBondContact O-N 3.25Å; M107-Y110 HydrophobicContact CE-CD1 3.72Å; M107-Y110 PolarHBondContact O-N 3.43Å; M107-Y110 HydrophobicContact SD-CD1 4.12Å; Y110-T113 WeakPolarHBondContact CA-OG1 3.47Å; Y110-T113 PolarHBondContact O-N 3.5Å; Y110-T113 PolarHBondContact O-OG1 3.03Å; Y110-T113 VanDerWaalsContact O-OG1 3.13Å; Y110-S114 VanDerWaalsContact O-CB 3.3Å; Y110-S114 WeakPolarHBondContact O-CB 3.29Å; Y110-S114 PolarHBondContact O-N 3.27Å; Y110-S114 PolarHBondContact O-OG 3.22Å; Y110-Y149 AromaticContact CD1-CD2 3.94Å; Y110-Y149 HydrophobicContact CD1-CD2 3.94Å; Y110-Y149 HydrophobicContact CD1-CE2 4.23Å; Y110-Y149 AromaticContact CE1-CD2 3.89Å; Y110-Y149 HydrophobicContact CE1-CD2 3.89Å; Y110-V152 HydrophobicContact CD1-CG1 4.41Å; Y110-V152 HydrophobicContact CE1-CB 4Å; Y110-V152 HydrophobicContact CE1-CG1 3.86Å; Y110-V152 HydrophobicContact CE1-CG2 4.44Å
111T91.6Very high88.4Confident46 Ų4633 Ų3328%0.28219%0.194SC..Hα-helixtrans-65-43.9174.5-55.40000111.5M107 V108 C109 T113 S114 S115 Y149M107-T111 WeakPolarHBondContact O-CB 3.32Å; M107-T111 PolarHBondContact O-N 2.91Å; M107-T111 PolarHBondContact O-OG1 3.42Å; V108-T111 PolarHBondContact O-N 3.29Å; C109-T111 PolarHBondContact O-N 3.37Å; T111-T113 VanDerWaalsContact C-N 3.35Å; T111-T113 PolarHBondContact O-N 3.46Å; T111-S114 PolarHBondContact O-N 2.9Å; T111-S115 WeakPolarHBondContact O-CB 3.16Å; T111-S115 PolarHBondContact O-N 3.1Å; T111-S115 PolarHBondContact O-OG 3.28Å; T111-Y149 HydrophobicContact CG2-CE2 4.11Å; T111-Y149 VanDerWaalsContact OG1-CE2 3.24Å; T111-Y149 WeakPolarHBondContact OG1-CE2 3.26Å; T111-Y149 PolarHBondContact OG1-OH 3.43Å
112M85.1Confident88.3Confident38 Ų3830.6 Ų30.619%0.18719%0.189CC..Hα-helixtrans-60.7-46.2177.6-179-179.873.300111.2V108 C109 S115 L116 L450 Y506V108-M112 PolarHBondContact O-N 3.1Å; V108-M112 VanDerWaalsContact O-N 3.1Å; C109-M112 PolarHBondContact O-N 2.87Å; M112-S115 WeakPolarHBondContact O-CB 3.39Å; M112-S115 PolarHBondContact O-N 3.43Å; M112-L116 PolarHBondContact O-N 3.31Å; M112-L116 VanDerWaalsContact O-N 3.1Å; M112-L450 HydrophobicContact CG-CD1 4.2Å; M112-L450 HydrophobicContact CG-CD2 3.98Å; M112-L450 HydrophobicContact SD-CB 4.19Å; M112-L450 HydrophobicContact SD-CD2 4.12Å; M112-Y506 HydrophobicContact CE-CE2 3.86Å
113T87.3Confident87.8Confident3 Ų332.6 Ų32.62%0.01820%0.199CC..Hα-helixtrans-69.2-43.7179.547.10000112.2K77 C109 Y110 T111 S115 L116 Y117 D499K77-T113 PolarHBondContact NZ-OG1 2.94Å; C109-T113 PolarHBondContact O-N 2.99Å; C109-T113 PolarHBondContact O-OG1 2.86Å; Y110-T113 WeakPolarHBondContact CA-OG1 3.47Å; Y110-T113 PolarHBondContact O-N 3.5Å; Y110-T113 PolarHBondContact O-OG1 3.03Å; Y110-T113 VanDerWaalsContact O-OG1 3.13Å; T111-T113 VanDerWaalsContact C-N 3.35Å; T111-T113 PolarHBondContact O-N 3.46Å; T113-S115 PolarHBondContact O-N 3.49Å; T113-L116 WeakPolarHBondContact O-CB 3.46Å; T113-L116 PolarHBondContact O-N 2.93Å; T113-Y117 WeakPolarHBondContact O-CD2 3.4Å; T113-Y117 PolarHBondContact O-N 3.37Å; T113-D499 WeakPolarHBondContact CB-OD1 3.04Å; T113-D499 WeakPolarHBondContact CG2-OD1 3.23Å
114S92.8Very high87.2Confident3 Ų330.9 Ų30.92%0.02119%0.192CC..Hα-helixtrans-55.7-38.4172.5-60.40000112.4H74 Y110 T111 Y117 I118H74-S114 PolarHBondContact CE1-OG 3.42Å; H74-S114 VanDerWaalsContact CE1-OG 3.24Å; H74-S114 PolarHBondContact NE2-OG 3.23Å; Y110-S114 VanDerWaalsContact O-CB 3.3Å; Y110-S114 WeakPolarHBondContact O-CB 3.29Å; Y110-S114 PolarHBondContact O-N 3.27Å; Y110-S114 PolarHBondContact O-OG 3.22Å; T111-S114 PolarHBondContact O-N 2.9Å; S114-Y117 WeakPolarHBondContact O-CB 3.49Å; S114-Y117 PolarHBondContact O-N 2.83Å; S114-I118 WeakPolarHBondContact O-CG1 3.43Å; S114-I118 PolarHBondContact O-N 3.18Å; S114-I118 VanDerWaalsContact O-N 3.08Å
115S89.7Confident86.9Confident54 Ų5428.6 Ų28.638%0.37817%0.173SC..Hα-helixtrans-66.7-39.8176.3-56.90000112.3T111 M112 T113 Y117 I118 I119T111-S115 WeakPolarHBondContact O-CB 3.16Å; T111-S115 PolarHBondContact O-N 3.1Å; T111-S115 PolarHBondContact O-OG 3.28Å; M112-S115 WeakPolarHBondContact O-CB 3.39Å; M112-S115 PolarHBondContact O-N 3.43Å; T113-S115 PolarHBondContact O-N 3.49Å; S115-Y117 VanDerWaalsContact C-N 3.32Å; S115-Y117 PolarHBondContact O-N 2.85Å; S115-I118 PolarHBondContact O-N 3.03Å; S115-I119 VanDerWaalsContact O-CG1 3.31Å; S115-I119 WeakPolarHBondContact O-CG1 3.45Å; S115-I119 PolarHBondContact O-N 3.48Å
116L85.8Confident86.6Confident7 Ų725.9 Ų25.94%0.03716%0.16CC..Hα-helixtrans-61.7-40.5174.4-75.1166.8000111.8M112 T113 I119 T120 L446 T447 L450 N495 M498M112-L116 PolarHBondContact O-N 3.31Å; M112-L116 VanDerWaalsContact O-N 3.1Å; T113-L116 WeakPolarHBondContact O-CB 3.46Å; T113-L116 PolarHBondContact O-N 2.93Å; L116-I119 PolarHBondContact O-N 3.37Å; L116-T120 WeakPolarHBondContact O-CB 3.44Å; L116-T120 PolarHBondContact O-N 3.04Å; L116-T120 PolarHBondContact O-OG1 3.2Å; L116-L446 HydrophobicContact CD2-CD2 3.51Å; L116-L446 HydrophobicContact CG-CD2 4.49Å; L116-T447 HydrophobicContact CD2-CG2 4.33Å; L116-L450 HydrophobicContact CD2-CD1 4.37Å; L116-N495 PolarHBondContact O-OD1 3.36Å; L116-M498 HydrophobicContact CD1-CE 4.28Å
117Y89.8Confident85.6Confident1 Ų130.6 Ų30.60%0.00419%0.191CC..Hα-helixtrans-60.5-48.1173.8-89.4-105.2000111.5H74 T113 S114 S115 I119 T120 F121 I145 Y492 N495 D499H74-Y117 HydrophobicContact CB-CE1 4.15Å; H74-Y117 AromaticContact CD2-CD2 3.64Å; H74-Y117 AromaticContact CD2-CE1 3.99Å; H74-Y117 AromaticContact CD2-CE2 3.49Å; H74-Y117 VanDerWaalsContact CD2-CE2 3.49Å; H74-Y117 WeakPolarHBondContact CD2-CE2 3.38Å; H74-Y117 AromaticContact CD2-CG 3.92Å; H74-Y117 AromaticContact CD2-CZ 3.68Å; T113-Y117 WeakPolarHBondContact O-CD2 3.4Å; T113-Y117 PolarHBondContact O-N 3.37Å; S114-Y117 WeakPolarHBondContact O-CB 3.49Å; S114-Y117 PolarHBondContact O-N 2.83Å; S115-Y117 VanDerWaalsContact C-N 3.32Å; S115-Y117 PolarHBondContact O-N 2.85Å; Y117-I119 VanDerWaalsContact C-N 3.3Å; Y117-I119 PolarHBondContact O-N 3.2Å; Y117-T120 PolarHBondContact O-N 3.22Å; Y117-F121 HydrophobicContact CD1-CD2 4.17Å; Y117-F121 AromaticContact CD1-CE2 3.75Å; Y117-F121 HydrophobicContact CD1-CE2 3.75Å; Y117-F121 HydrophobicContact CE1-CE2 4.32Å; Y117-F121 WeakPolarHBondContact O-CB 3.37Å; Y117-F121 WeakPolarHBondContact O-CD2 3.39Å; Y117-F121 PolarHBondContact O-N 3.42Å; Y117-I145 HydrophobicContact CD1-CD1 3.94Å; Y117-I145 HydrophobicContact CD1-CG1 4.39Å; Y117-I145 HydrophobicContact CG-CD1 4.28Å; Y117-Y492 HydrophobicContact CE1-CD2 4.01Å; Y117-Y492 AromaticContact CE1-CE2 3.84Å; Y117-Y492 HydrophobicContact CE1-CE2 3.84Å; Y117-N495 HydrophobicContact CD1-CB 3.99Å; Y117-N495 HydrophobicContact CD2-CB 3.73Å; Y117-N495 HydrophobicContact CE1-CB 3.67Å; Y117-N495 HydrophobicContact CE2-CB 3.45Å; Y117-N495 VanDerWaalsContact CE2-CB 3.45Å; Y117-N495 HydrophobicContact CG-CB 4.01Å; Y117-N495 VanDerWaalsContact CZ-CB 3.42Å; Y117-N495 PolarHBondContact N-OD1 3.47Å; Y117-D499 WeakPolarHBondContact CE2-OD2 3.32Å; Y117-D499 VanDerWaalsContact CZ-OD2 3.23Å; Y117-D499 PolarHBondContact OH-OD2 3.02Å
118I91Very high84.5Confident59 Ų5938 Ų3830%0.30322%0.223SC..Hα-helixtrans-60.8-40177.8-68.3168.5000111.1S114 S115 G122 I145 L146S114-I118 WeakPolarHBondContact O-CG1 3.43Å; S114-I118 PolarHBondContact O-N 3.18Å; S114-I118 VanDerWaalsContact O-N 3.08Å; S115-I118 PolarHBondContact O-N 3.03Å; I118-G122 VanDerWaalsContact O-CA 3.27Å; I118-G122 WeakPolarHBondContact O-CA 3.45Å; I118-G122 PolarHBondContact O-N 3.03Å; I118-I145 HydrophobicContact CD1-CG2 4.34Å; I118-I145 HydrophobicContact CG1-CB 4.36Å; I118-I145 HydrophobicContact CG1-CG2 3.89Å; I118-L146 HydrophobicContact CD1-CB 4.39Å; I118-L146 HydrophobicContact CD1-CD1 4.24Å
119I85.8Confident83.7Confident60 Ų6033.7 Ų33.731%0.30820%0.197SC..Hα-helixtrans-68.1-47.9178.8-70.5166.1000110.5S115 L116 Y117 G122 M123 L446S115-I119 VanDerWaalsContact O-CG1 3.31Å; S115-I119 WeakPolarHBondContact O-CG1 3.45Å; S115-I119 PolarHBondContact O-N 3.48Å; L116-I119 PolarHBondContact O-N 3.37Å; Y117-I119 VanDerWaalsContact C-N 3.3Å; Y117-I119 PolarHBondContact O-N 3.2Å; I119-G122 PolarHBondContact O-N 3.47Å; I119-M123 WeakPolarHBondContact O-CG 3.2Å; I119-M123 PolarHBondContact O-N 3.3Å; I119-L446 HydrophobicContact CD1-CD1 3.98Å; I119-L446 HydrophobicContact CD1-CD2 3.29Å; I119-L446 HydrophobicContact CD1-CG 4.28Å
120T82.8Confident83Confident0 Ų037.5 Ų37.50%022%0.215CC..Hα-helixtrans-67.4-46.7-177.3-45.40000111.7L116 Y117 G122 M123 G124 I443 I491 L494 N495L116-T120 WeakPolarHBondContact O-CB 3.44Å; L116-T120 PolarHBondContact O-N 3.04Å; L116-T120 PolarHBondContact O-OG1 3.2Å; Y117-T120 PolarHBondContact O-N 3.22Å; T120-G122 VanDerWaalsContact C-N 3.32Å; T120-M123 WeakPolarHBondContact O-CB 3.4Å; T120-M123 PolarHBondContact O-N 2.9Å; T120-G124 PolarHBondContact O-N 2.93Å; T120-I443 HydrophobicContact CG2-CD1 4.01Å; T120-I443 VanDerWaalsContact OG1-CD1 3.3Å; T120-I443 WeakPolarHBondContact OG1-CD1 3.48Å; T120-I491 HydrophobicContact CG2-CG2 3.91Å; T120-L494 HydrophobicContact CG2-CD2 4.14Å; T120-N495 VanDerWaalsContact CB-ND2 3.29Å; T120-N495 WeakPolarHBondContact CB-ND2 3.35Å; T120-N495 WeakPolarHBondContact CG2-ND2 3.19Å; T120-N495 PolarHBondContact OG1-ND2 2.9Å; T120-N495 PolarHBondContact OG1-OD1 2.67Å
121F87.7Confident82.3Confident0 Ų038.2 Ų38.20%022%0.219CC..Hα-helixtrans-67.5-34.6173.5-77.3-68.3000111.2Y117 M123 G124 A125 F137 C138 M141 I145 I491 Y492Y117-F121 HydrophobicContact CD1-CD2 4.17Å; Y117-F121 AromaticContact CD1-CE2 3.75Å; Y117-F121 HydrophobicContact CD1-CE2 3.75Å; Y117-F121 HydrophobicContact CE1-CE2 4.32Å; Y117-F121 WeakPolarHBondContact O-CB 3.37Å; Y117-F121 WeakPolarHBondContact O-CD2 3.39Å; Y117-F121 PolarHBondContact O-N 3.42Å; F121-M123 VanDerWaalsContact C-N 3.31Å; F121-M123 PolarHBondContact O-N 2.93Å; F121-G124 CarbonylContact O-C 3.58Å; F121-G124 WeakPolarHBondContact O-CA 3.47Å; F121-G124 PolarHBondContact O-N 3.44Å; F121-A125 PolarHBondContact O-N 3.35Å; F121-F137 HydrophobicContact CE1-CD1 4.47Å; F121-F137 AromaticContact CE1-CE1 3.96Å; F121-F137 HydrophobicContact CE1-CE1 3.96Å; F121-C138 HydrophobicContact CD1-CB 4.41Å; F121-C138 VanDerWaalsContact O-CB 3.26Å; F121-C138 WeakPolarHBondContact O-CB 3.29Å; F121-M141 HydrophobicContact CB-CB 4.44Å; F121-M141 HydrophobicContact CD1-CB 4.03Å; F121-M141 HydrophobicContact CD1-CG 4.3Å; F121-M141 HydrophobicContact CD2-CB 4.32Å; F121-M141 HydrophobicContact CE1-CB 4.37Å; F121-M141 HydrophobicContact CE1-CG 4.19Å; F121-M141 HydrophobicContact CE2-CE 4.2Å; F121-M141 HydrophobicContact CG-CB 4Å; F121-M141 HydrophobicContact CZ-CE 4.28Å; F121-M141 HydrophobicContact CZ-CG 4.45Å; F121-I145 HydrophobicContact CD2-CD1 3.63Å; F121-I145 HydrophobicContact CE2-CD1 4.13Å; F121-I145 HydrophobicContact CG-CD1 4.5Å; F121-I491 HydrophobicContact CD1-CG2 3.88Å; F121-I491 HydrophobicContact CE1-CB 4.5Å; F121-I491 HydrophobicContact CE1-CG2 3.69Å; F121-I491 HydrophobicContact CG-CG2 4.47Å; F121-I491 HydrophobicContact CZ-CG2 4.13Å; F121-Y492 HydrophobicContact CZ-CD2 4.28Å
122G87.3Confident81.8Confident32 Ų3241.4 Ų41.433%0.3323%0.23SC..Hα-helixtrans-59-39.6172.300000112.8I118 I119 T120 A125 S126 C142I118-G122 VanDerWaalsContact O-CA 3.27Å; I118-G122 WeakPolarHBondContact O-CA 3.45Å; I118-G122 PolarHBondContact O-N 3.03Å; I119-G122 PolarHBondContact O-N 3.47Å; T120-G122 VanDerWaalsContact C-N 3.32Å; G122-A125 WeakPolarHBondContact O-CB 3.49Å; G122-A125 PolarHBondContact O-N 2.92Å; G122-S126 PolarHBondContact O-N 3.28Å; G122-C142 PolarHBondContact N-SG 3.26Å
123M79.7Confident81.6Confident44 Ų4440.4 Ų40.422%0.21723%0.227CC..Hα-helixtrans-65.5-39.7170.7-70.2177.468.100111.9I119 T120 F121 A125 S126 F438 T442I119-M123 WeakPolarHBondContact O-CG 3.2Å; I119-M123 PolarHBondContact O-N 3.3Å; T120-M123 WeakPolarHBondContact O-CB 3.4Å; T120-M123 PolarHBondContact O-N 2.9Å; F121-M123 VanDerWaalsContact C-N 3.31Å; F121-M123 PolarHBondContact O-N 2.93Å; M123-A125 PolarHBondContact O-N 3.36Å; M123-S126 WeakPolarHBondContact O-CB 3.42Å; M123-S126 PolarHBondContact O-N 3.28Å; M123-S126 PolarHBondContact O-OG 3.38Å; M123-F438 HydrophobicContact CE-CB 4.41Å; M123-T442 HydrophobicContact CE-CG2 4.13Å; M123-T442 VanDerWaalsContact CE-OG1 3.27Å; M123-T442 WeakPolarHBondContact CE-OG1 3.5Å; M123-T442 WeakPolarHBondContact SD-CB 3.28Å; M123-T442 HydrophobicContact SD-CG2 3.45Å; M123-T442 WeakPolarHBondContact SD-CG2 3.47Å
124G78.9Confident81.4Confident3 Ų340.4 Ų40.43%0.03123%0.227CC..Hα-helixtrans-62.2-30.7172.500000113.5T120 F121 S126 T129T120-G124 PolarHBondContact O-N 2.93Å; F121-G124 CarbonylContact O-C 3.58Å; F121-G124 WeakPolarHBondContact O-CA 3.47Å; F121-G124 PolarHBondContact O-N 3.44Å; G124-S126 VanDerWaalsContact C-N 3.29Å; G124-T129 WeakPolarHBondContact O-CB 3.24Å; G124-T129 PolarHBondContact O-OG1 2.83Å
125A84.3Confident81Confident20 Ų2041.9 Ų41.917%0.16523%0.233CC..THydrogen-bonded Turntrans-78.7-8.4173.400000113.9F121 G122 M123 C138 Q139F121-A125 PolarHBondContact O-N 3.35Å; G122-A125 WeakPolarHBondContact O-CB 3.49Å; G122-A125 PolarHBondContact O-N 2.92Å; M123-A125 PolarHBondContact O-N 3.36Å; A125-C138 HydrophobicContact CB-CB 3.85Å; A125-Q139 HydrophobicContact CB-CG 3.7Å
126S76.5Confident81.1Confident23 Ų2340.1 Ų40.116%0.16122%0.219CC..SBendtrans-66.7158.3-176.2780000112.7G122 M123 G124 F128 T129 K135G122-S126 PolarHBondContact O-N 3.28Å; M123-S126 WeakPolarHBondContact O-CB 3.42Å; M123-S126 PolarHBondContact O-N 3.28Å; M123-S126 PolarHBondContact O-OG 3.38Å; G124-S126 VanDerWaalsContact C-N 3.29Å; S126-F128 PolarHBondContact O-N 2.91Å; S126-F128 VanDerWaalsContact O-N 3.11Å; S126-F128 WeakPolarHBondContact OG-CD2 3.46Å; S126-F128 PolarHBondContact OG-N 3.35Å; S126-T129 PolarHBondContact O-N 3.03Å; S126-T129 VanDerWaalsContact O-N 3.15Å; S126-K135 WeakPolarHBondContact O-CE 3.19Å
127P70.6Confident81.3Confident106 Ų10639.9 Ų39.969%0.68822%0.218SC*.THydrogen-bonded Turntrans-59.4-21.6175.722.3-33.2000113.6T129 K135P127-T129 PolarHBondContact O-N 3.36Å; P127-K135 PolarHBondContact O-NZ 3.45Å
128F65.6Low81.4Confident169 Ų16939.8 Ų39.874%0.74122%0.218SC*.THydrogen-bonded Turntrans-66.6-21178.6-54.6-64.3000113.4S126 N130S126-F128 PolarHBondContact O-N 2.91Å; S126-F128 VanDerWaalsContact O-N 3.11Å; S126-F128 WeakPolarHBondContact OG-CD2 3.46Å; S126-F128 PolarHBondContact OG-N 3.35Å; F128-N130 PolarHBondContact O-N 3.23Å
129T70.8Confident81.4Confident10 Ų1041.3 Ų41.36%0.06122%0.223CC..  trans-78.3109.8173-55.20000109.8G124 S126 P127 I131 V134 K135G124-T129 WeakPolarHBondContact O-CB 3.24Å; G124-T129 PolarHBondContact O-OG1 2.83Å; S126-T129 PolarHBondContact O-N 3.03Å; S126-T129 VanDerWaalsContact O-N 3.15Å; P127-T129 PolarHBondContact O-N 3.36Å; T129-I131 HydrophobicContact CG2-CB 4.43Å; T129-I131 PolarHBondContact O-N 3.04Å; T129-V134 HydrophobicContact CG2-CB 3.93Å; T129-V134 HydrophobicContact CG2-CG1 3.72Å; T129-K135 HydrophobicContact CG2-CG 4.36Å; T129-K135 WeakPolarHBondContact O-CE 3.36Å; T129-K135 PolarHBondContact O-NZ 3.01Å
130N69.3Low81.8Confident109 Ų10938.8 Ų38.858%0.58321%0.211SC*.  trans-74.45.9-177.4-159.313.5000114.1F128F128-N130 PolarHBondContact O-N 3.23Å
131I75.8Confident82.4Confident15 Ų1538.8 Ų38.88%0.07721%0.211CC..  trans-115.7107-176.3-57.1177.1000110T129 S133 V134 K135 R424 I487T129-I131 HydrophobicContact CG2-CB 4.43Å; T129-I131 PolarHBondContact O-N 3.04Å; I131-S133 VanDerWaalsContact C-N 3.28Å; I131-S133 WeakPolarHBondContact CG2-OG 3.38Å; I131-S133 PolarHBondContact O-N 3.46Å; I131-V134 HydrophobicContact CB-CB 4.17Å; I131-V134 HydrophobicContact CB-CG2 3.95Å; I131-V134 HydrophobicContact CG2-CB 4.19Å; I131-V134 HydrophobicContact CG2-CG2 3.69Å; I131-V134 WeakPolarHBondContact O-CB 3.5Å; I131-V134 PolarHBondContact O-N 3.13Å; I131-K135 PolarHBondContact O-N 3.24Å; I131-K135 VanDerWaalsContact O-N 3.12Å; I131-R424 VanDerWaalsContact CG2-NH2 3.32Å; I131-I487 HydrophobicContact CD1-CD1 4.04Å
132E81.4Confident82.7Confident113 Ų11340 Ų4053%0.52822%0.219SC..Hα-helixtrans-59.7-37-179-169.258.1-155.500113V134 K135 I136E132-V134 PolarHBondContact O-N 3.03Å; E132-K135 WeakPolarHBondContact O-CB 3.42Å; E132-K135 PolarHBondContact O-N 2.81Å; E132-K135 WeakPolarHBondContact OE2-CD 3.28Å; E132-I136 HydrophobicContact CG-CD1 4.04Å; E132-I136 PolarHBondContact O-N 2.95Å
133S81.8Confident83.1Confident18 Ų1840.2 Ų40.213%0.12621%0.214CC..Hα-helixtrans-61.7-30.917756.20000113.6N61 T63 I131 F137N61-S133 WeakPolarHBondContact ND2-CA 3.43Å; N61-S133 WeakPolarHBondContact ND2-CB 3.47Å; T63-S133 PolarHBondContact OG1-O 3.43Å; I131-S133 VanDerWaalsContact C-N 3.28Å; I131-S133 WeakPolarHBondContact CG2-OG 3.38Å; I131-S133 PolarHBondContact O-N 3.46Å; S133-F137 WeakPolarHBondContact O-CB 3.36Å; S133-F137 PolarHBondContact O-N 2.76Å
134V81.9Confident83.9Confident2 Ų238.1 Ų38.11%0.01220%0.204CC..Hα-helixtrans-78.4-42.9176.6172.40000109.4T129 I131 E132 I136 F137 C138 L488T129-V134 HydrophobicContact CG2-CB 3.93Å; T129-V134 HydrophobicContact CG2-CG1 3.72Å; I131-V134 HydrophobicContact CB-CB 4.17Å; I131-V134 HydrophobicContact CB-CG2 3.95Å; I131-V134 HydrophobicContact CG2-CB 4.19Å; I131-V134 HydrophobicContact CG2-CG2 3.69Å; I131-V134 WeakPolarHBondContact O-CB 3.5Å; I131-V134 PolarHBondContact O-N 3.13Å; E132-V134 PolarHBondContact O-N 3.03Å; V134-I136 PolarHBondContact O-N 3.36Å; V134-F137 PolarHBondContact O-N 3.19Å; V134-C138 VanDerWaalsContact O-CB 3.31Å; V134-C138 WeakPolarHBondContact O-CB 3.5Å; V134-C138 PolarHBondContact O-N 3.49Å; V134-C138 PolarHBondContact O-SG 3.41Å; V134-L488 HydrophobicContact CB-CD2 4.45Å; V134-L488 HydrophobicContact CG1-CD2 3.78Å; V134-L488 HydrophobicContact CG1-CG 4.49Å; V134-L488 HydrophobicContact CG2-CG 4.4Å
135K85.6Confident84.8Confident34 Ų3438 Ų3815%0.14820%0.203CC..Hα-helixtrans-55.5-51.6176.5-74.2169.1157.8153.70112.3S126 P127 T129 I131 E132 F137 C138 Q139S126-K135 WeakPolarHBondContact O-CE 3.19Å; P127-K135 PolarHBondContact O-NZ 3.45Å; T129-K135 HydrophobicContact CG2-CG 4.36Å; T129-K135 WeakPolarHBondContact O-CE 3.36Å; T129-K135 PolarHBondContact O-NZ 3.01Å; I131-K135 PolarHBondContact O-N 3.24Å; I131-K135 VanDerWaalsContact O-N 3.12Å; E132-K135 WeakPolarHBondContact O-CB 3.42Å; E132-K135 PolarHBondContact O-N 2.81Å; E132-K135 WeakPolarHBondContact OE2-CD 3.28Å; K135-F137 VanDerWaalsContact C-N 3.34Å; K135-F137 PolarHBondContact O-N 2.96Å; K135-C138 PolarHBondContact O-N 2.84Å; K135-Q139 VanDerWaalsContact O-CG 3.31Å; K135-Q139 WeakPolarHBondContact O-CG 3.39Å; K135-Q139 PolarHBondContact O-N 3.3Å
136I90.3Very high85.4Confident17 Ų1741 Ų419%0.08722%0.215CC..Hα-helixtrans-58.3-45.6178.4-75.1169.3000111.5F53 K59 L64 E132 V134 Q139 S140F53-I136 HydrophobicContact CZ-CG2 3.84Å; K59-I136 HydrophobicContact CB-CD1 4.32Å; L64-I136 HydrophobicContact CD2-CG2 4.2Å; E132-I136 HydrophobicContact CG-CD1 4.04Å; E132-I136 PolarHBondContact O-N 2.95Å; V134-I136 PolarHBondContact O-N 3.36Å; I136-Q139 PolarHBondContact O-N 3.38Å; I136-S140 PolarHBondContact O-N 3.42Å
137F91.1Very high86.4Confident2 Ų240.6 Ų40.61%0.00921%0.212CC..Hα-helixtrans-60.7-48.6177.6178.6-84.1000111.5T63 I67 F70 F121 S133 V134 K135 Q139 S140 M141 L488T63-F137 WeakPolarHBondContact O-CD2 3.39Å; T63-F137 WeakPolarHBondContact O-CE2 3.24Å; I67-F137 HydrophobicContact CB-CE2 4.48Å; I67-F137 HydrophobicContact CD1-CD2 4.11Å; I67-F137 HydrophobicContact CD1-CE2 4.24Å; I67-F137 HydrophobicContact CG1-CD2 3.71Å; I67-F137 HydrophobicContact CG1-CE2 3.35Å; I67-F137 HydrophobicContact CG1-CG 4.5Å; I67-F137 HydrophobicContact CG1-CZ 3.88Å; F70-F137 HydrophobicContact CD2-CE1 4.06Å; F70-F137 AromaticContact CD2-CZ 3.58Å; F70-F137 HydrophobicContact CD2-CZ 3.58Å; F70-F137 HydrophobicContact CE2-CE1 4.15Å; F70-F137 AromaticContact CE2-CZ 3.69Å; F70-F137 HydrophobicContact CE2-CZ 3.69Å; F121-F137 HydrophobicContact CE1-CD1 4.47Å; F121-F137 AromaticContact CE1-CE1 3.96Å; F121-F137 HydrophobicContact CE1-CE1 3.96Å; S133-F137 WeakPolarHBondContact O-CB 3.36Å; S133-F137 PolarHBondContact O-N 2.76Å; V134-F137 PolarHBondContact O-N 3.19Å; K135-F137 VanDerWaalsContact C-N 3.34Å; K135-F137 PolarHBondContact O-N 2.96Å; F137-Q139 PolarHBondContact O-N 3.25Å; F137-S140 PolarHBondContact O-N 3.45Å; F137-M141 HydrophobicContact CD1-CG 3.7Å; F137-M141 HydrophobicContact CE1-CG 3.29Å; F137-M141 HydrophobicContact CE1-SD 4.17Å; F137-M141 HydrophobicContact CG-CG 4.49Å; F137-M141 HydrophobicContact CZ-CG 3.76Å; F137-M141 HydrophobicContact CZ-SD 4.06Å; F137-M141 WeakPolarHBondContact O-CB 3.48Å; F137-M141 WeakPolarHBondContact O-CG 3.47Å; F137-M141 PolarHBondContact O-N 3.41Å; F137-L488 HydrophobicContact CB-CD1 3.88Å; F137-L488 HydrophobicContact CB-CD2 4.23Å; F137-L488 HydrophobicContact CD1-CB 4.47Å; F137-L488 HydrophobicContact CD1-CD1 3.62Å; F137-L488 HydrophobicContact CD1-CD2 3.25Å; F137-L488 HydrophobicContact CD1-CG 3.94Å; F137-L488 HydrophobicContact CD2-CD1 3.76Å; F137-L488 HydrophobicContact CE1-CB 4.23Å; F137-L488 HydrophobicContact CE1-CD1 4Å; F137-L488 HydrophobicContact CE1-CD2 3.73Å; F137-L488 HydrophobicContact CE1-CG 4.2Å; F137-L488 HydrophobicContact CE2-CD1 4.14Å; F137-L488 HydrophobicContact CG-CD1 3.47Å; F137-L488 VanDerWaalsContact CG-CD1 3.47Å; F137-L488 HydrophobicContact CG-CD2 3.9Å; F137-L488 HydrophobicContact CG-CG 4.28Å; F137-L488 HydrophobicContact CZ-CD1 4.25Å
138C90.7Very high87.6Confident0 Ų035.6 Ų35.60%018%0.179CC..Hα-helixtrans-61.5-41.5-179.5-74.20000112.3F121 A125 V134 K135 M141 C142F121-C138 HydrophobicContact CD1-CB 4.41Å; F121-C138 VanDerWaalsContact O-CB 3.26Å; F121-C138 WeakPolarHBondContact O-CB 3.29Å; A125-C138 HydrophobicContact CB-CB 3.85Å; V134-C138 VanDerWaalsContact O-CB 3.31Å; V134-C138 WeakPolarHBondContact O-CB 3.5Å; V134-C138 PolarHBondContact O-N 3.49Å; V134-C138 PolarHBondContact O-SG 3.41Å; K135-C138 PolarHBondContact O-N 2.84Å; C138-M141 PolarHBondContact O-N 2.9Å; C138-C142 PolarHBondContact O-N 3.4Å; C138-C142 PolarHBondContact O-SG 3.5Å; C138-C142 VanDerWaalsContact O-SG 3.33Å
139Q91.9Very high89.1Confident90 Ų9029.7 Ų29.742%0.42115%0.153SC..Hα-helixtrans-59.6-49.4173.2-71.6171.6-5.800111.4F53 A125 K135 I136 F137 M141 C142 V143F53-Q139 HydrophobicContact CE2-CB 4.46Å; A125-Q139 HydrophobicContact CB-CG 3.7Å; K135-Q139 VanDerWaalsContact O-CG 3.31Å; K135-Q139 WeakPolarHBondContact O-CG 3.39Å; K135-Q139 PolarHBondContact O-N 3.3Å; I136-Q139 PolarHBondContact O-N 3.38Å; F137-Q139 PolarHBondContact O-N 3.25Å; Q139-M141 VanDerWaalsContact C-N 3.3Å; Q139-M141 PolarHBondContact O-N 3.41Å; Q139-C142 PolarHBondContact O-N 3.08Å; Q139-V143 PolarHBondContact O-N 3Å
140S94.3Very high90.3Very high7 Ų734.5 Ų34.55%0.04917%0.173CC..Hα-helixtrans-64.4-35.1178.3-175.90000112.2I67 I136 F137 V143 A144I67-S140 VanDerWaalsContact CD1-CB 3.43Å; I67-S140 WeakPolarHBondContact CD1-OG 3.37Å; I136-S140 PolarHBondContact O-N 3.42Å; F137-S140 PolarHBondContact O-N 3.45Å; S140-V143 PolarHBondContact O-N 2.9Å; S140-A144 WeakPolarHBondContact O-CB 3.42Å; S140-A144 PolarHBondContact O-N 2.93Å
141M94.2Very high91.7Very high1 Ų132.2 Ų32.21%0.00516%0.157CC..Hα-helixtrans-64.4-44.1173.9-80.4-58.1-59.900111.8I67 F70 F121 F137 C138 Q139 V143 A144 I145I67-M141 HydrophobicContact CB-SD 3.88Å; I67-M141 HydrophobicContact CD1-CG 4.37Å; I67-M141 HydrophobicContact CD1-SD 4.35Å; I67-M141 HydrophobicContact CG1-CG 4.1Å; I67-M141 HydrophobicContact CG1-SD 3.67Å; I67-M141 HydrophobicContact CG2-SD 3.69Å; F70-M141 HydrophobicContact CB-CE 3.72Å; F70-M141 HydrophobicContact CB-SD 4.25Å; F121-M141 HydrophobicContact CB-CB 4.44Å; F121-M141 HydrophobicContact CD1-CB 4.03Å; F121-M141 HydrophobicContact CD1-CG 4.3Å; F121-M141 HydrophobicContact CD2-CB 4.32Å; F121-M141 HydrophobicContact CE1-CB 4.37Å; F121-M141 HydrophobicContact CE1-CG 4.19Å; F121-M141 HydrophobicContact CE2-CE 4.2Å; F121-M141 HydrophobicContact CG-CB 4Å; F121-M141 HydrophobicContact CZ-CE 4.28Å; F121-M141 HydrophobicContact CZ-CG 4.45Å; F137-M141 HydrophobicContact CD1-CG 3.7Å; F137-M141 HydrophobicContact CE1-CG 3.29Å; F137-M141 HydrophobicContact CE1-SD 4.17Å; F137-M141 HydrophobicContact CG-CG 4.49Å; F137-M141 HydrophobicContact CZ-CG 3.76Å; F137-M141 HydrophobicContact CZ-SD 4.06Å; F137-M141 WeakPolarHBondContact O-CB 3.48Å; F137-M141 WeakPolarHBondContact O-CG 3.47Å; F137-M141 PolarHBondContact O-N 3.41Å; C138-M141 PolarHBondContact O-N 2.9Å; Q139-M141 VanDerWaalsContact C-N 3.3Å; Q139-M141 PolarHBondContact O-N 3.41Å; M141-V143 VanDerWaalsContact C-N 3.28Å; M141-V143 PolarHBondContact O-N 3.23Å; M141-A144 WeakPolarHBondContact O-CB 3.36Å; M141-A144 PolarHBondContact O-N 3.46Å; M141-A144 VanDerWaalsContact O-N 3.07Å; M141-I145 HydrophobicContact CB-CD1 4.37Å; M141-I145 HydrophobicContact CE-CD1 4.13Å; M141-I145 HydrophobicContact CE-CG1 4.31Å; M141-I145 VanDerWaalsContact O-CD1 3.28Å; M141-I145 WeakPolarHBondContact O-CD1 3.39Å; M141-I145 VanDerWaalsContact O-CG1 3.32Å; M141-I145 WeakPolarHBondContact O-CG1 3.32Å; M141-I145 PolarHBondContact O-N 3.37Å
142C94.8Very high92.6Very high24 Ų2431.5 Ų31.516%0.16215%0.153CC..Hα-helixtrans-56.8-43.7176.4-71.50000111.7G122 C138 Q139 L146G122-C142 PolarHBondContact N-SG 3.26Å; C138-C142 PolarHBondContact O-N 3.4Å; C138-C142 PolarHBondContact O-SG 3.5Å; C138-C142 VanDerWaalsContact O-SG 3.33Å; Q139-C142 PolarHBondContact O-N 3.08Å; C142-L146 WeakPolarHBondContact O-CB 3.18Å; C142-L146 PolarHBondContact O-N 3.44Å
143V96.1Very high93.3Very high37 Ų3731 Ų3122%0.22415%0.149CC..Hα-helixtrans-62.7-45.7174.3179.50000110.7A49 I52 Q139 S140 M141 I145 L146 V147A49-V143 HydrophobicContact CB-CG1 4.11Å; I52-V143 HydrophobicContact CB-CG1 4.05Å; I52-V143 HydrophobicContact CG2-CG1 3.85Å; Q139-V143 PolarHBondContact O-N 3Å; S140-V143 PolarHBondContact O-N 2.9Å; M141-V143 VanDerWaalsContact C-N 3.28Å; M141-V143 PolarHBondContact O-N 3.23Å; V143-I145 PolarHBondContact O-N 3.33Å; V143-L146 PolarHBondContact O-N 2.95Å; V143-V147 HydrophobicContact CG1-CG2 4.26Å; V143-V147 WeakPolarHBondContact O-CB 3.35Å; V143-V147 VanDerWaalsContact O-CG2 3.28Å; V143-V147 WeakPolarHBondContact O-CG2 3.41Å; V143-V147 PolarHBondContact O-N 3.1Å
144A96.8Very high93.9Very high1 Ų133 Ų331%0.00816%0.163CC..Hα-helixtrans-60.1-46.2178.800000112.8A49 I67 A71 S140 M141 N148A49-A144 VanDerWaalsContact CB-CA 3.48Å; A49-A144 HydrophobicContact CB-CB 3.99Å; I67-A144 HydrophobicContact CG2-CB 4.21Å; A71-A144 HydrophobicContact CB-CB 4.34Å; S140-A144 WeakPolarHBondContact O-CB 3.42Å; S140-A144 PolarHBondContact O-N 2.93Å; M141-A144 WeakPolarHBondContact O-CB 3.36Å; M141-A144 PolarHBondContact O-N 3.46Å; M141-A144 VanDerWaalsContact O-N 3.07Å; A144-N148 WeakPolarHBondContact O-CB 3.35Å; A144-N148 PolarHBondContact O-N 3.45Å
145I96.8Very high94.6Very high0 Ų037 Ų370%018%0.18CC..Hα-helixtrans-63-45.1178.3-68149.6000110.7Y117 I118 F121 M141 V143 N148 Y149Y117-I145 HydrophobicContact CD1-CD1 3.94Å; Y117-I145 HydrophobicContact CD1-CG1 4.39Å; Y117-I145 HydrophobicContact CG-CD1 4.28Å; I118-I145 HydrophobicContact CD1-CG2 4.34Å; I118-I145 HydrophobicContact CG1-CB 4.36Å; I118-I145 HydrophobicContact CG1-CG2 3.89Å; F121-I145 HydrophobicContact CD2-CD1 3.63Å; F121-I145 HydrophobicContact CE2-CD1 4.13Å; F121-I145 HydrophobicContact CG-CD1 4.5Å; M141-I145 HydrophobicContact CB-CD1 4.37Å; M141-I145 HydrophobicContact CE-CD1 4.13Å; M141-I145 HydrophobicContact CE-CG1 4.31Å; M141-I145 VanDerWaalsContact O-CD1 3.28Å; M141-I145 WeakPolarHBondContact O-CD1 3.39Å; M141-I145 VanDerWaalsContact O-CG1 3.32Å; M141-I145 WeakPolarHBondContact O-CG1 3.32Å; M141-I145 PolarHBondContact O-N 3.37Å; V143-I145 PolarHBondContact O-N 3.33Å; I145-N148 PolarHBondContact O-N 3.17Å; I145-Y149 WeakPolarHBondContact O-CB 3.44Å; I145-Y149 PolarHBondContact O-N 3.09Å
146L96.6Very high95.1Very high82 Ų8235.3 Ų35.343%0.42917%0.173SC..Hα-helixtrans-62.8-47.9179.8-176.866000111.9I118 C142 V143 Y149 F150I118-L146 HydrophobicContact CD1-CB 4.39Å; I118-L146 HydrophobicContact CD1-CD1 4.24Å; C142-L146 WeakPolarHBondContact O-CB 3.18Å; C142-L146 PolarHBondContact O-N 3.44Å; V143-L146 PolarHBondContact O-N 2.95Å; L146-Y149 WeakPolarHBondContact O-CB 3.35Å; L146-Y149 PolarHBondContact O-N 2.91Å; L146-F150 HydrophobicContact CD1-CD2 4.35Å; L146-F150 HydrophobicContact CD1-CE2 3.69Å; L146-F150 HydrophobicContact CD1-CZ 4.5Å; L146-F150 HydrophobicContact CG-CD2 4.3Å; L146-F150 HydrophobicContact CG-CE2 3.94Å; L146-F150 WeakPolarHBondContact O-CD2 3.4Å; L146-F150 PolarHBondContact O-N 3.28Å
147V97.5Very high95.3Very high16 Ų1634.7 Ų34.710%0.09717%0.171CC..Hα-helixtrans-64.7-43.7178.3175.20000110.4A45 T48 A49 I52 V143 Y149 F150 Y151A45-V147 HydrophobicContact CB-CG1 4.14Å; A45-V147 WeakPolarHBondContact O-CG1 3.38Å; T48-V147 HydrophobicContact CG2-CG1 4.11Å; A49-V147 HydrophobicContact CB-CB 4.21Å; A49-V147 HydrophobicContact CB-CG2 4.2Å; I52-V147 HydrophobicContact CD1-CG2 3.82Å; V143-V147 HydrophobicContact CG1-CG2 4.26Å; V143-V147 WeakPolarHBondContact O-CB 3.35Å; V143-V147 VanDerWaalsContact O-CG2 3.28Å; V143-V147 WeakPolarHBondContact O-CG2 3.41Å; V143-V147 PolarHBondContact O-N 3.1Å; V147-Y149 VanDerWaalsContact C-N 3.32Å; V147-Y149 PolarHBondContact O-N 2.93Å; V147-F150 PolarHBondContact O-N 3.47Å; V147-Y151 HydrophobicContact CG1-CD2 3.77Å; V147-Y151 HydrophobicContact CG1-CE2 3.76Å; V147-Y151 VanDerWaalsContact O-CD2 3.29Å; V147-Y151 WeakPolarHBondContact O-CD2 3.46Å; V147-Y151 PolarHBondContact O-N 3.37Å
148N96.6Very high95.5Very high0 Ų038.2 Ų38.20%020%0.196CC..Hα-helixtrans-60.9-40.8177.9-167.55.5000111.9A45 A71 G75 A144 I145 F150 Y151 V152A45-N148 HydrophobicContact CB-CB 4.23Å; A71-N148 PolarHBondContact O-ND2 3.44Å; G75-N148 WeakPolarHBondContact CA-ND2 3.17Å; G75-N148 PolarHBondContact N-ND2 3.05Å; A144-N148 WeakPolarHBondContact O-CB 3.35Å; A144-N148 PolarHBondContact O-N 3.45Å; I145-N148 PolarHBondContact O-N 3.17Å; N148-F150 PolarHBondContact O-N 3.25Å; N148-Y151 PolarHBondContact O-N 2.88Å; N148-V152 WeakPolarHBondContact O-CG2 3.45Å; N148-V152 PolarHBondContact O-N 3.05Å
149Y96.5Very high95.7Very high46 Ų4639.2 Ų39.218%0.1820%0.202CC..Hα-helixtrans-55-50.9173.3172.4-96.5000112.1M107 Y110 T111 I145 L146 V147 Y151 V152 F153M107-Y149 HydrophobicContact CE-CD2 4.49Å; M107-Y149 HydrophobicContact CE-CE2 3.81Å; Y110-Y149 AromaticContact CD1-CD2 3.94Å; Y110-Y149 HydrophobicContact CD1-CD2 3.94Å; Y110-Y149 HydrophobicContact CD1-CE2 4.23Å; Y110-Y149 AromaticContact CE1-CD2 3.89Å; Y110-Y149 HydrophobicContact CE1-CD2 3.89Å; T111-Y149 HydrophobicContact CG2-CE2 4.11Å; T111-Y149 VanDerWaalsContact OG1-CE2 3.24Å; T111-Y149 WeakPolarHBondContact OG1-CE2 3.26Å; T111-Y149 PolarHBondContact OG1-OH 3.43Å; I145-Y149 WeakPolarHBondContact O-CB 3.44Å; I145-Y149 PolarHBondContact O-N 3.09Å; L146-Y149 WeakPolarHBondContact O-CB 3.35Å; L146-Y149 PolarHBondContact O-N 2.91Å; V147-Y149 VanDerWaalsContact C-N 3.32Å; V147-Y149 PolarHBondContact O-N 2.93Å; Y149-Y151 VanDerWaalsContact C-N 3.33Å; Y149-Y151 PolarHBondContact O-N 3.45Å; Y149-V152 PolarHBondContact O-N 3.47Å; Y149-F153 WeakPolarHBondContact O-CB 3.35Å; Y149-F153 PolarHBondContact O-N 3.49Å
150F96.9Very high95.8Very high111 Ų11134.9 Ų34.949%0.48718%0.182SC..Hα-helixtrans-64.2-37.9179-75-64.2000112.6L146 V147 N148 F153 S154L146-F150 HydrophobicContact CD1-CD2 4.35Å; L146-F150 HydrophobicContact CD1-CE2 3.69Å; L146-F150 HydrophobicContact CD1-CZ 4.5Å; L146-F150 HydrophobicContact CG-CD2 4.3Å; L146-F150 HydrophobicContact CG-CE2 3.94Å; L146-F150 WeakPolarHBondContact O-CD2 3.4Å; L146-F150 PolarHBondContact O-N 3.28Å; V147-F150 PolarHBondContact O-N 3.47Å; N148-F150 PolarHBondContact O-N 3.25Å; F150-F153 PolarHBondContact O-N 3.14Å; F150-S154 WeakPolarHBondContact O-CB 3.3Å; F150-S154 PolarHBondContact O-N 3.17Å; F150-S154 PolarHBondContact O-OG 2.93Å
151Y97.4Very high95.8Very high61 Ų6137.1 Ų37.124%0.23920%0.195CC..Hα-helixtrans-67.9-41.3178.6-93.1-110.4000112.4T41 I44 A45 T48 V147 N148 Y149 F155 Y156T41-Y151 HydrophobicContact CG2-CD1 4.15Å; T41-Y151 HydrophobicContact CG2-CG 4.49Å; I44-Y151 HydrophobicContact CB-CE1 4.13Å; I44-Y151 HydrophobicContact CG2-CE1 3.6Å; A45-Y151 HydrophobicContact CB-CD1 4.06Å; A45-Y151 HydrophobicContact CB-CD2 4.14Å; A45-Y151 HydrophobicContact CB-CG 3.77Å; T48-Y151 PolarHBondContact OG1-OH 3.38Å; V147-Y151 HydrophobicContact CG1-CD2 3.77Å; V147-Y151 HydrophobicContact CG1-CE2 3.76Å; V147-Y151 VanDerWaalsContact O-CD2 3.29Å; V147-Y151 WeakPolarHBondContact O-CD2 3.46Å; V147-Y151 PolarHBondContact O-N 3.37Å; N148-Y151 PolarHBondContact O-N 2.88Å; Y149-Y151 VanDerWaalsContact C-N 3.33Å; Y149-Y151 PolarHBondContact O-N 3.45Å; Y151-F155 WeakPolarHBondContact O-CB 3.39Å; Y151-F155 PolarHBondContact O-N 3.49Å; Y151-Y156 PolarHBondContact O-N 2.59Å
152V96.4Very high95.8Very high0 Ų043 Ų430%022%0.221CC..Iπ-helixtrans-64.5-44.9173.9172.30000110.4V79 Y110 N148 Y149 Y156 G157V79-V152 HydrophobicContact CG2-CG2 4.46Å; Y110-V152 HydrophobicContact CD1-CG1 4.41Å; Y110-V152 HydrophobicContact CE1-CB 4Å; Y110-V152 HydrophobicContact CE1-CG1 3.86Å; Y110-V152 HydrophobicContact CE1-CG2 4.44Å; N148-V152 WeakPolarHBondContact O-CG2 3.45Å; N148-V152 PolarHBondContact O-N 3.05Å; Y149-V152 PolarHBondContact O-N 3.47Å; V152-Y156 HydrophobicContact CG1-CD1 4.47Å; V152-Y156 WeakPolarHBondContact O-CB 3.08Å; V152-G157 PolarHBondContact O-N 2.87Å; V152-G157 VanDerWaalsContact O-N 3.16Å
153F95.3Very high95.6Very high102 Ų10242.6 Ų42.645%0.44722%0.219SC..Iπ-helixtrans-62.6-45.5178.4175.7-103.5000112.8F103 M107 Y149 F150F103-F153 HydrophobicContact CD1-CD2 4.37Å; F103-F153 HydrophobicContact CD1-CE2 4.26Å; F103-F153 AromaticContact CE1-CD2 3.89Å; F103-F153 HydrophobicContact CE1-CD2 3.89Å; F103-F153 HydrophobicContact CE1-CE2 4.06Å; M107-F153 HydrophobicContact CE-CB 4.08Å; M107-F153 HydrophobicContact CE-CD2 3.95Å; M107-F153 HydrophobicContact CE-CG 4.5Å; Y149-F153 WeakPolarHBondContact O-CB 3.35Å; Y149-F153 PolarHBondContact O-N 3.49Å; F150-F153 PolarHBondContact O-N 3.14Å
154S95.1Very high95.3Very high59 Ų5940.9 Ų40.941%0.41321%0.209SC..Iπ-helixtrans-94.8-68.2-171.961.70000113.5F150 G157 S158F150-S154 WeakPolarHBondContact O-CB 3.3Å; F150-S154 PolarHBondContact O-N 3.17Å; F150-S154 PolarHBondContact O-OG 2.93Å; S154-G157 PolarHBondContact O-N 3.49Å; S154-S158 WeakPolarHBondContact O-CB 3.4Å; S154-S158 PolarHBondContact O-N 3.35Å; S154-S158 PolarHBondContact O-OG 3.05Å
155F96.2Very high95.1Very high86 Ų8645 Ų4538%0.37723%0.228SC..Iπ-helixtrans-67.4-50.6-172.5-179.7-94.7000111.7T41 Y151 S158 C159T41-F155 HydrophobicContact CG2-CB 4.48Å; T41-F155 HydrophobicContact CG2-CD1 3.85Å; T41-F155 WeakPolarHBondContact OG1-CD1 3.44Å; T41-F155 WeakPolarHBondContact OG1-CE1 3.45Å; Y151-F155 WeakPolarHBondContact O-CB 3.39Å; Y151-F155 PolarHBondContact O-N 3.49Å; F155-S158 WeakPolarHBondContact O-CB 3.07Å; F155-S158 PolarHBondContact O-N 2.89Å; F155-C159 PolarHBondContact O-N 3.43Å; F155-C159 VanDerWaalsContact O-N 3.08Å; F155-C159 PolarHBondContact O-SG 2.97Å
156Y96.4Very high94.7Very high0 Ų047.1 Ų47.10%024%0.239CC..Iπ-helixtrans-67.6-39.1176.2-178.8-106.4000111.8L34 V79 L82 Y151 V152 S158 C159 L160L34-Y156 HydrophobicContact CD1-CE2 4.27Å; L34-Y156 HydrophobicContact CD2-CE2 4.34Å; L34-Y156 WeakPolarHBondContact CD2-OH 3.48Å; L34-Y156 HydrophobicContact CG-CE2 3.75Å; L34-Y156 WeakPolarHBondContact O-CE2 3.21Å; V79-Y156 HydrophobicContact CB-CE1 4.21Å; V79-Y156 HydrophobicContact CB-CE2 4.46Å; V79-Y156 HydrophobicContact CG1-CE1 4.22Å; V79-Y156 HydrophobicContact CG1-CE2 3.82Å; V79-Y156 WeakPolarHBondContact CG1-OH 3.5Å; V79-Y156 HydrophobicContact CG2-CD1 4.25Å; V79-Y156 HydrophobicContact CG2-CD2 4.26Å; V79-Y156 HydrophobicContact CG2-CE1 4.23Å; V79-Y156 HydrophobicContact CG2-CE2 4.25Å; V79-Y156 HydrophobicContact CG2-CG 4.25Å; V79-Y156 PolarHBondContact O-OH 3.23Å; L82-Y156 HydrophobicContact CB-CE1 4.19Å; L82-Y156 HydrophobicContact CD2-CD1 3.8Å; L82-Y156 HydrophobicContact CD2-CE1 3.8Å; L82-Y156 HydrophobicContact CG-CE1 4.48Å; Y151-Y156 PolarHBondContact O-N 2.59Å; V152-Y156 HydrophobicContact CG1-CD1 4.47Å; V152-Y156 WeakPolarHBondContact O-CB 3.08Å; Y156-S158 VanDerWaalsContact C-N 3.28Å; Y156-S158 PolarHBondContact O-N 3.21Å; Y156-C159 WeakPolarHBondContact O-CA 3.48Å; Y156-C159 WeakPolarHBondContact O-CB 3.29Å; Y156-C159 PolarHBondContact O-N 3.2Å; Y156-C159 VanDerWaalsContact O-N 3.08Å; Y156-L160 PolarHBondContact O-N 3.38Å
157G94.5Very high94.3Very high4 Ų443.8 Ų43.84%0.04122%0.222CC..Hα-helixtrans-52.1-44.8170.200000113.5V152 S154 L160 V161V152-G157 PolarHBondContact O-N 2.87Å; V152-G157 VanDerWaalsContact O-N 3.16Å; S154-G157 PolarHBondContact O-N 3.49Å; G157-L160 WeakPolarHBondContact O-CB 3.36Å; G157-L160 PolarHBondContact O-N 2.98Å; G157-V161 WeakPolarHBondContact O-CG2 3.49Å; G157-V161 PolarHBondContact O-N 2.96Å
158S95.3Very high93.9Very high76 Ų7648 Ų4853%0.53124%0.24SC..Hα-helixtrans-65.5-38.6176.4-57.40000112.1S154 F155 Y156 L160 V161 F162S154-S158 WeakPolarHBondContact O-CB 3.4Å; S154-S158 PolarHBondContact O-N 3.35Å; S154-S158 PolarHBondContact O-OG 3.05Å; F155-S158 WeakPolarHBondContact O-CB 3.07Å; F155-S158 PolarHBondContact O-N 2.89Å; Y156-S158 VanDerWaalsContact C-N 3.28Å; Y156-S158 PolarHBondContact O-N 3.21Å; S158-L160 VanDerWaalsContact C-N 3.31Å; S158-L160 PolarHBondContact O-N 3.48Å; S158-V161 PolarHBondContact O-N 3.44Å; S158-F162 PolarHBondContact O-N 2.95Å
159C95Very high93.4Very high20 Ų2051.8 Ų51.814%0.13526%0.26CS..Hα-helixtrans-61.9-39.4173.3-62.50000111.6L34 L37 F155 Y156 F162 A163L34-C159 HydrophobicContact CD1-CB 3.97Å; L37-C159 HydrophobicContact CD1-CB 4.24Å; F155-C159 PolarHBondContact O-N 3.43Å; F155-C159 VanDerWaalsContact O-N 3.08Å; F155-C159 PolarHBondContact O-SG 2.97Å; Y156-C159 WeakPolarHBondContact O-CA 3.48Å; Y156-C159 WeakPolarHBondContact O-CB 3.29Å; Y156-C159 PolarHBondContact O-N 3.2Å; Y156-C159 VanDerWaalsContact O-N 3.08Å; C159-F162 PolarHBondContact O-N 2.67Å; C159-A163 WeakPolarHBondContact O-CB 3.43Å; C159-A163 PolarHBondContact O-N 2.96Å
160L93.9Very high93Very high0 Ų054.8 Ų54.80%027%0.271CS..Hα-helixtrans-65.3-43.1176.1-179.167.8000111.6L34 L82 W86 F103 Y156 G157 S158 F162 A163 G164L34-L160 HydrophobicContact CD2-CD1 3.57Å; L82-L160 HydrophobicContact CD1-CD2 4.44Å; L82-L160 HydrophobicContact CD2-CD2 3.75Å; L82-L160 HydrophobicContact CG-CD2 3.76Å; W86-L160 HydrophobicContact CB-CD1 3.97Å; W86-L160 HydrophobicContact CD2-CD1 3.93Å; W86-L160 HydrophobicContact CE3-CD1 4.17Å; W86-L160 HydrophobicContact CE3-CD2 4.43Å; W86-L160 HydrophobicContact CE3-CG 4.3Å; W86-L160 HydrophobicContact CG-CD1 3.84Å; F103-L160 HydrophobicContact CE2-CD2 4.2Å; Y156-L160 PolarHBondContact O-N 3.38Å; G157-L160 WeakPolarHBondContact O-CB 3.36Å; G157-L160 PolarHBondContact O-N 2.98Å; S158-L160 VanDerWaalsContact C-N 3.31Å; S158-L160 PolarHBondContact O-N 3.48Å; L160-F162 VanDerWaalsContact C-N 3.34Å; L160-F162 PolarHBondContact O-N 3.48Å; L160-A163 PolarHBondContact O-N 3.02Å; L160-G164 PolarHBondContact O-N 2.86Å
161V94.4Very high92.5Very high54 Ų5453.4 Ų53.433%0.32726%0.263SS..Hα-helixtrans-57.2-48.4174.5173.90000110.7F95 V99 G157 S158 G164 Q165F95-V161 HydrophobicContact CD2-CG1 4.4Å; F95-V161 HydrophobicContact CE2-CG1 3.93Å; V99-V161 HydrophobicContact CG1-CG2 3.92Å; V99-V161 HydrophobicContact CG2-CG2 4.01Å; G157-V161 WeakPolarHBondContact O-CG2 3.49Å; G157-V161 PolarHBondContact O-N 2.96Å; S158-V161 PolarHBondContact O-N 3.44Å; V161-G164 PolarHBondContact O-N 3.49Å; V161-Q165 PolarHBondContact O-N 3.33Å
162F92.5Very high92Very high125 Ų12551 Ų5155%0.54825%0.254SS..Hα-helixtrans-62.2-44.6178.3-177.3-105.7000112S158 C159 L160 G164 Q165 L166S158-F162 PolarHBondContact O-N 2.95Å; C159-F162 PolarHBondContact O-N 2.67Å; L160-F162 VanDerWaalsContact C-N 3.34Å; L160-F162 PolarHBondContact O-N 3.48Å; F162-G164 VanDerWaalsContact C-N 3.27Å; F162-G164 PolarHBondContact O-N 3.38Å; F162-Q165 PolarHBondContact O-N 2.91Å; F162-L166 HydrophobicContact CD1-CD1 3.99Å; F162-L166 HydrophobicContact CD1-CG 4.48Å; F162-L166 HydrophobicContact CE1-CD1 3.54Å; F162-L166 HydrophobicContact CE1-CG 4.14Å; F162-L166 HydrophobicContact CZ-CD1 4.08Å; F162-L166 HydrophobicContact CZ-CD2 4.37Å; F162-L166 HydrophobicContact CZ-CG 4.3Å; F162-L166 PolarHBondContact O-N 3.16Å
163A91.6Very high91.4Very high14 Ų1452 Ų5212%0.11626%0.261CS..Hα-helixtrans-63.5-32.9176.100000112.6K31 L34 C159 L160 E167K31-A163 HydrophobicContact CD-CB 4.32Å; K31-A163 PolarHBondContact NZ-O 3.28Å; L34-A163 HydrophobicContact CD1-CB 4Å; C159-A163 WeakPolarHBondContact O-CB 3.43Å; C159-A163 PolarHBondContact O-N 2.96Å; L160-A163 PolarHBondContact O-N 3.02Å; A163-E167 WeakPolarHBondContact O-CB 3.01Å; A163-E167 PolarHBondContact O-N 3.32Å; A163-E167 VanDerWaalsContact O-N 3.09Å
164G90.3Very high90.8Very high1 Ų150 Ų501%0.0126%0.257CS..Hα-helixtrans-68.6-39173.400000112.7L160 V161 F162 E167 Q168L160-G164 PolarHBondContact O-N 2.86Å; V161-G164 PolarHBondContact O-N 3.49Å; F162-G164 VanDerWaalsContact C-N 3.27Å; F162-G164 PolarHBondContact O-N 3.38Å; G164-E167 PolarHBondContact O-N 2.9Å; G164-Q168 PolarHBondContact O-N 2.61Å
165Q91.1Very high90.3Very high89 Ų8952.7 Ų52.742%0.41626%0.262SS..Hα-helixtrans-65.3-39.5174.8-174.1177.7-5.400112.1V161 F162 N169V161-Q165 PolarHBondContact O-N 3.33Å; F162-Q165 PolarHBondContact O-N 2.91Å; Q165-N169 WeakPolarHBondContact O-CB 3.07Å; Q165-N169 PolarHBondContact O-N 2.84Å; Q165-N169 VanDerWaalsContact O-N 3.12Å; Q165-N169 PolarHBondContact O-ND2 3.31Å; Q165-N169 VanDerWaalsContact O-ND2 3.16Å
166L90.1Very high89.6Confident43 Ų4351.6 Ų51.623%0.22526%0.264CS..Hα-helixtrans-64.1-42.7174-70.4178.3000112F162 N169 R170 Y171F162-L166 HydrophobicContact CD1-CD1 3.99Å; F162-L166 HydrophobicContact CD1-CG 4.48Å; F162-L166 HydrophobicContact CE1-CD1 3.54Å; F162-L166 HydrophobicContact CE1-CG 4.14Å; F162-L166 HydrophobicContact CZ-CD1 4.08Å; F162-L166 HydrophobicContact CZ-CD2 4.37Å; F162-L166 HydrophobicContact CZ-CG 4.3Å; F162-L166 PolarHBondContact O-N 3.16Å; L166-N169 PolarHBondContact O-N 3.13Å; L166-R170 PolarHBondContact O-N 2.97Å; L166-Y171 HydrophobicContact CD2-CD2 3.97Å; L166-Y171 HydrophobicContact CD2-CG 4.03Å; L166-Y171 PolarHBondContact O-N 3.46Å
167E88.3Confident89.1Confident13 Ų1354 Ų546%0.06128%0.28CS..Hα-helixtrans-61.7-47.2176.7-174.1179.7153.900111.1L28 K31 W86 R98 A163 G164 N169 R170 Y211L28-E167 HydrophobicContact CD1-CG 4.32Å; L28-E167 HydrophobicContact CG-CG 4.4Å; K31-E167 WeakPolarHBondContact CE-OE2 3.11Å; K31-E167 IonicContact NZ-OE2 2.77Å; K31-E167 PolarHBondContact NZ-OE2 2.91Å; W86-E167 WeakPolarHBondContact CZ2-OE2 3.17Å; W86-E167 PolarHBondContact NE1-OE2 3.28Å; R98-E167 IonicContact CZ-OE1 2.87Å; R98-E167 IonicContact NH1-OE1 3.86Å; R98-E167 PolarHBondContact NH1-OE1 3.42Å; R98-E167 IonicContact NH2-OE1 3.01Å; R98-E167 PolarHBondContact NH2-OE1 3.09Å; A163-E167 WeakPolarHBondContact O-CB 3.01Å; A163-E167 PolarHBondContact O-N 3.32Å; A163-E167 VanDerWaalsContact O-N 3.09Å; G164-E167 PolarHBondContact O-N 2.9Å; E167-N169 VanDerWaalsContact C-N 3.29Å; E167-N169 PolarHBondContact O-N 3.4Å; E167-R170 PolarHBondContact O-N 3.38Å; E167-Y211 VanDerWaalsContact CD-OH 3.31Å; E167-Y211 PolarHBondContact OE1-OH 2.92Å; E167-Y211 PolarHBondContact OE2-OH 3.19Å
168Q87.7Confident88.7Confident105 Ų10560.8 Ų60.849%0.49131%0.309SS..Hα-helixtrans-63.5-34.4178.5-177.4168.3-23.900112.9F95 G164 R170F95-Q168 VanDerWaalsContact CD1-OE1 3.24Å; G164-Q168 PolarHBondContact O-N 2.61Å; Q168-R170 PolarHBondContact O-N 2.73Å
169N87.6Confident88.1Confident78 Ų7857.7 Ų57.742%0.41729%0.286SS..THydrogen-bonded Turntrans-83.26176.7-69.3-33.5000113.8Q165 L166 E167 Y171Q165-N169 WeakPolarHBondContact O-CB 3.07Å; Q165-N169 PolarHBondContact O-N 2.84Å; Q165-N169 VanDerWaalsContact O-N 3.12Å; Q165-N169 PolarHBondContact O-ND2 3.31Å; Q165-N169 VanDerWaalsContact O-ND2 3.16Å; L166-N169 PolarHBondContact O-N 3.13Å; E167-N169 VanDerWaalsContact C-N 3.29Å; E167-N169 PolarHBondContact O-N 3.4Å; N169-Y171 HydrophobicContact CB-CD2 3.59Å; N169-Y171 HydrophobicContact CB-CE2 3.57Å
170R86.6Confident87.4Confident110 Ų11058.2 Ų58.242%0.41529%0.289SS..THydrogen-bonded Turntrans56.149-179.1-60.6-173.767.9167-4.6113.8L166 E167 Q168 I179 D198L166-R170 PolarHBondContact O-N 2.97Å; E167-R170 PolarHBondContact O-N 3.38Å; Q168-R170 PolarHBondContact O-N 2.73Å; R170-I179 WeakPolarHBondContact O-CB 3.35Å; R170-I179 WeakPolarHBondContact O-CG1 3.46Å; R170-I179 PolarHBondContact O-N 3.3Å; R170-D198 IonicContact CZ-OD2 3.5Å; R170-D198 IonicContact NH2-OD2 2.57Å; R170-D198 PolarHBondContact NH2-OD2 3.07Å
171Y87.4Confident86.8Confident81 Ų8161.8 Ų61.832%0.31831%0.314SS..BIsolated β-bridgetrans-87.9146.1168.1-75.4-91.2000111.6L166 N169 C176 C177 K178L166-Y171 HydrophobicContact CD2-CD2 3.97Å; L166-Y171 HydrophobicContact CD2-CG 4.03Å; L166-Y171 PolarHBondContact O-N 3.46Å; N169-Y171 HydrophobicContact CB-CD2 3.59Å; N169-Y171 HydrophobicContact CB-CE2 3.57Å; Y171-C176 VanDerWaalsContact CD1-O 3.23Å; Y171-C176 WeakPolarHBondContact CD1-O 3.48Å; Y171-C177 CarbonylContact C-O 3.55Å; Y171-C177 WeakPolarHBondContact CA-O 3.45Å; Y171-K178 HydrophobicContact CD1-CB 4.4Å; Y171-K178 HydrophobicContact CE1-CB 4.18Å
172H86.9Confident85.9Confident10 Ų1062.5 Ų62.55%0.04633%0.326CS..  trans-66.6133.1174.2-173.4-59000110.6C27 V174 F175 C176 C177 I179 M195 M196C27-H172 WeakPolarHBondContact CB-NE2 3.32Å; H172-V174 PolarHBondContact ND1-N 3.2Å; H172-V174 PolarHBondContact O-N 3.4Å; H172-F175 AromaticContact CD2-CD2 3.96Å; H172-F175 AromaticContact CE1-CD2 3.38Å; H172-F175 WeakPolarHBondContact CE1-CD2 3.08Å; H172-F175 AromaticContact CE1-CE2 3.69Å; H172-F175 AromaticContact CG-CD2 3.94Å; H172-F175 AromaticContact ND1-CD2 3.56Å; H172-F175 PolarHBondContact ND1-N 2.84Å; H172-F175 AromaticContact NE2-CD2 3.59Å; H172-F175 AromaticContact NE2-CE2 3.87Å; H172-C176 VanDerWaalsContact O-CA 3.26Å; H172-C176 WeakPolarHBondContact O-CA 3.21Å; H172-C176 PolarHBondContact O-N 3.38Å; H172-C177 WeakPolarHBondContact CB-O 3.43Å; H172-C177 PolarHBondContact N-O 2.97Å; H172-I179 HydrophobicContact CB-CG1 4.29Å; H172-M195 PolarHBondContact NE2-O 3.46Å; H172-M196 PolarHBondContact CD2-SD 2.88Å
173S83Confident85.1Confident21 Ų2162.8 Ų62.815%0.14733%0.329CS..THydrogen-bonded Turntrans-61.1-37.8-175.256.70000115.7C27 G30 F33C27-S173 WeakPolarHBondContact O-CB 3.45Å; C27-S173 PolarHBondContact O-N 2.87Å; C27-S173 PolarHBondContact O-OG 3.33Å; G30-S173 WeakPolarHBondContact O-CB 3.37Å; F33-S173 WeakPolarHBondContact CD2-O 3.27Å; F33-S173 VanDerWaalsContact CE2-O 3.3Å; F33-S173 WeakPolarHBondContact CE2-O 3.41Å
174V83.5Confident84.6Confident61 Ų6167.7 Ų67.737%0.3735%0.345SS..THydrogen-bonded Turntrans-91.1-47.9177.7-177.70000113.8P32 F33 H172P32-V174 HydrophobicContact CG-CG2 3.82Å; F33-V174 WeakPolarHBondContact CE2-O 3.48Å; F33-V174 WeakPolarHBondContact CZ-O 3.37Å; H172-V174 PolarHBondContact ND1-N 3.2Å; H172-V174 PolarHBondContact O-N 3.4Å
175F83.3Confident84.1Confident115 Ų11568.2 Ų68.250%0.50435%0.348SS..THydrogen-bonded Turntrans-90.9-8.5-172.8-58.5-71.2000114.1H172 C177 M195H172-F175 AromaticContact CD2-CD2 3.96Å; H172-F175 AromaticContact CE1-CD2 3.38Å; H172-F175 WeakPolarHBondContact CE1-CD2 3.08Å; H172-F175 AromaticContact CE1-CE2 3.69Å; H172-F175 AromaticContact CG-CD2 3.94Å; H172-F175 AromaticContact ND1-CD2 3.56Å; H172-F175 PolarHBondContact ND1-N 2.84Å; H172-F175 AromaticContact NE2-CD2 3.59Å; H172-F175 AromaticContact NE2-CE2 3.87Å; F175-C177 PolarHBondContact O-N 2.9Å; F175-M195 HydrophobicContact CD2-CE 3.68Å; F175-M195 HydrophobicContact CE1-CE 4.06Å; F175-M195 HydrophobicContact CE2-CE 2.98Å; F175-M195 HydrophobicContact CE2-CG 4.44Å; F175-M195 HydrophobicContact CG-CE 4.5Å; F175-M195 HydrophobicContact CZ-CE 3.19Å
176C82.5Confident83.4Confident64 Ų6469.2 Ų69.243%0.43236%0.356SS..  trans51.727.4-176.9-58.30000113.5Y171 H172Y171-C176 VanDerWaalsContact CD1-O 3.23Å; Y171-C176 WeakPolarHBondContact CD1-O 3.48Å; H172-C176 VanDerWaalsContact O-CA 3.26Å; H172-C176 WeakPolarHBondContact O-CA 3.21Å; H172-C176 PolarHBondContact O-N 3.38Å
177C85.8Confident83Confident49 Ų4976.2 Ų76.233%0.33138%0.379SS..PPolyproline II helixtrans-98.2152.2174.261.30000110.2Y171 H172 F175 I179Y171-C177 CarbonylContact C-O 3.55Å; Y171-C177 WeakPolarHBondContact CA-O 3.45Å; H172-C177 WeakPolarHBondContact CB-O 3.43Å; H172-C177 PolarHBondContact N-O 2.97Å; F175-C177 PolarHBondContact O-N 2.9Å; C177-I179 PolarHBondContact O-N 3.47Å
178K85.5Confident82.9Confident147 Ų14778.5 Ų78.564%0.63939%0.39SS*.BIsolated β-bridgetrans-69131.1-179.9-166.5172.5-175.8177.50109.9Y171 P180Y171-K178 HydrophobicContact CD1-CB 4.4Å; Y171-K178 HydrophobicContact CE1-CB 4.18Å; K178-P180 WeakPolarHBondContact O-CD 3.34Å
179I83.4Confident82.8Confident12 Ų1276.4 Ų76.46%0.06239%0.385CS..PPolyproline II helixtrans-69125.3178.8-60.4169.5000108.3L28 R170 H172 C177 L185L28-I179 HydrophobicContact CB-CD1 3.81Å; L28-I179 HydrophobicContact CD1-CD1 3.87Å; L28-I179 HydrophobicContact CG-CD1 4.35Å; R170-I179 WeakPolarHBondContact O-CB 3.35Å; R170-I179 WeakPolarHBondContact O-CG1 3.46Å; R170-I179 PolarHBondContact O-N 3.3Å; H172-I179 HydrophobicContact CB-CG1 4.29Å; C177-I179 PolarHBondContact O-N 3.47Å; I179-L185 HydrophobicContact CG2-CD1 4.48Å
180P80.9Confident82.5Confident31 Ų3178.2 Ų78.220%0.20140%0.399CS..PPolyproline II helixtrans-61.7162.4177-20.631000112.4K178 Y184 L185 M196K178-P180 WeakPolarHBondContact O-CD 3.34Å; P180-Y184 HydrophobicContact CB-CD1 3.47Å; P180-Y184 VanDerWaalsContact CB-CD1 3.47Å; P180-Y184 HydrophobicContact CB-CE1 4.2Å; P180-Y184 HydrophobicContact CB-CG 4.12Å; P180-Y184 HydrophobicContact CG-CD1 3.98Å; P180-Y184 HydrophobicContact CG-CE1 4.26Å; P180-L185 WeakPolarHBondContact O-CD1 3.24Å; P180-M196 HydrophobicContact CG-CE 4.13Å
181S79.8Confident82.3Confident74 Ų7481.1 Ų81.152%0.51741%0.41SS..PPolyproline II helixtrans-63.1151173.358.80000111.5E183 Y184 L185S181-E183 PolarHBondContact O-N 2.92Å; S181-Y184 WeakPolarHBondContact O-CB 3.42Å; S181-Y184 PolarHBondContact O-N 2.82Å; S181-L185 PolarHBondContact O-N 2.95Å; S181-L185 VanDerWaalsContact O-N 3.12Å
182A75.7Confident82.1Confident70 Ų7079.4 Ų79.458%0.57941%0.405SS*.Hα-helixtrans-54.4-37.1178.800000112.5Y184 L185 D186A182-Y184 VanDerWaalsContact C-N 3.32Å; A182-Y184 PolarHBondContact O-N 3.49Å; A182-L185 WeakPolarHBondContact O-CB 3.3Å; A182-L185 PolarHBondContact O-N 2.88Å; A182-D186 PolarHBondContact O-N 3.38Å; A182-D186 VanDerWaalsContact O-N 3.1Å
183E77.2Confident81.7Confident130 Ų13083 Ų8361%0.60742%0.42SS*.Hα-helixtrans-65.3-32.7177.5-163.4-173.7167.200113.2S181 R187S181-E183 PolarHBondContact O-N 2.92Å; E183-R187 IonicContact OE1-NH2 3.26Å; E183-R187 PolarHBondContact OE1-NH2 2.67Å
184Y79.5Confident81.4Confident118 Ų11887.1 Ų87.146%0.46345%0.445SS..Hα-helixtrans-73.3-39.4173.9-178.8-92.6000111.3P180 S181 A182 D186 R187 Q188 F192P180-Y184 HydrophobicContact CB-CD1 3.47Å; P180-Y184 VanDerWaalsContact CB-CD1 3.47Å; P180-Y184 HydrophobicContact CB-CE1 4.2Å; P180-Y184 HydrophobicContact CB-CG 4.12Å; P180-Y184 HydrophobicContact CG-CD1 3.98Å; P180-Y184 HydrophobicContact CG-CE1 4.26Å; S181-Y184 WeakPolarHBondContact O-CB 3.42Å; S181-Y184 PolarHBondContact O-N 2.82Å; A182-Y184 VanDerWaalsContact C-N 3.32Å; A182-Y184 PolarHBondContact O-N 3.49Å; Y184-D186 VanDerWaalsContact C-N 3.32Å; Y184-D186 PolarHBondContact O-N 3.07Å; Y184-R187 PolarHBondContact O-N 3.33Å; Y184-Q188 HydrophobicContact CD1-CG 4.2Å; Y184-Q188 HydrophobicContact CE1-CG 3.9Å; Y184-Q188 WeakPolarHBondContact O-CG 3.3Å; Y184-Q188 PolarHBondContact OH-NE2 2.72Å; Y184-F192 HydrophobicContact CE1-CE1 4.28Å
185L79.5Confident81.2Confident12 Ų1287.7 Ų87.76%0.06344%0.444CS..Hα-helixtrans-62.1-35.8178.6-82.1147.4000113I179 P180 S181 A182 R187 Q188 M196I179-L185 HydrophobicContact CG2-CD1 4.48Å; P180-L185 WeakPolarHBondContact O-CD1 3.24Å; S181-L185 PolarHBondContact O-N 2.95Å; S181-L185 VanDerWaalsContact O-N 3.12Å; A182-L185 WeakPolarHBondContact O-CB 3.3Å; A182-L185 PolarHBondContact O-N 2.88Å; L185-R187 PolarHBondContact O-N 3.24Å; L185-Q188 PolarHBondContact O-N 2.74Å; L185-M196 HydrophobicContact CD2-CB 3.55Å
186D77.9Confident80.9Confident110 Ų11082.7 Ų82.759%0.58842%0.422SS*.THydrogen-bonded Turntrans-66.9-21.9178.4-85.2-15.1000113.9A182 Y184 K193A182-D186 PolarHBondContact O-N 3.38Å; A182-D186 VanDerWaalsContact O-N 3.1Å; Y184-D186 VanDerWaalsContact C-N 3.32Å; Y184-D186 PolarHBondContact O-N 3.07Å; D186-K193 VanDerWaalsContact OD1-CE 3.27Å; D186-K193 WeakPolarHBondContact OD1-CE 3.32Å; D186-K193 IonicContact OD1-NZ 2.64Å; D186-K193 PolarHBondContact OD1-NZ 3.04Å
187R81.8Confident80.5Confident189 Ų18981.9 Ų81.971%0.71342%0.418SS*.THydrogen-bonded Turntrans-89.4-6.6178.8-60.5-177-172-175.35.9113.5E183 Y184 L185E183-R187 IonicContact OE1-NH2 3.26Å; E183-R187 PolarHBondContact OE1-NH2 2.67Å; Y184-R187 PolarHBondContact O-N 3.33Å; L185-R187 PolarHBondContact O-N 3.24Å
188Q85.3Confident79.7Confident62 Ų6280.3 Ų80.329%0.2941%0.406SS..SBendtrans-94.6158.1-174.8-69.6-64.4-24.700111.9Y184 L185 F192Y184-Q188 HydrophobicContact CD1-CG 4.2Å; Y184-Q188 HydrophobicContact CE1-CG 3.9Å; Y184-Q188 WeakPolarHBondContact O-CG 3.3Å; Y184-Q188 PolarHBondContact OH-NE2 2.72Å; L185-Q188 PolarHBondContact O-N 2.74Å; Q188-F192 HydrophobicContact CB-CB 4.27Å; Q188-F192 HydrophobicContact CB-CD1 3.6Å; Q188-F192 HydrophobicContact CB-CE1 4.38Å; Q188-F192 HydrophobicContact CB-CG 4.28Å; Q188-F192 HydrophobicContact CG-CD1 3.68Å; Q188-F192 HydrophobicContact CG-CE1 3.98Å
189P85.9Confident78.6Confident60 Ų6075.7 Ų75.739%0.3940%0.4SS..  trans-60.1151.2176.325.7-34.4000111.4W191 F192 K193P189-W191 HydrophobicContact CG-CZ2 4.33Å; P189-W191 VanDerWaalsContact CG-NE1 3.31Å; P189-W191 PolarHBondContact O-N 3.19Å; P189-W191 VanDerWaalsContact O-N 3.12Å; P189-F192 HydrophobicContact CG-CB 4.2Å; P189-F192 PolarHBondContact O-N 3.05Å; P189-K193 PolarHBondContact O-N 3.08Å
190T81.6Confident77.5Confident116 Ų11681.1 Ų81.171%0.71243%0.425SS*.Hα-helixtrans-53.1-37.8-173.341.10000113.6F192 K193 T194T190-F192 PolarHBondContact O-N 3.3Å; T190-K193 PolarHBondContact O-N 2.96Å; T190-T194 PolarHBondContact O-N 3.11Å; T190-T194 PolarHBondContact O-OG1 2.75Å
191W82.4Confident76Confident171 Ų17185.6 Ų85.665%0.64845%0.447SS*.Hα-helixtrans-63.5-40177.570.2-94.8000113P189 M195P189-W191 HydrophobicContact CG-CZ2 4.33Å; P189-W191 VanDerWaalsContact CG-NE1 3.31Å; P189-W191 PolarHBondContact O-N 3.19Å; P189-W191 VanDerWaalsContact O-N 3.12Å; W191-M195 HydrophobicContact CE3-SD 4.47Å; W191-M195 HydrophobicContact CZ3-SD 4.16Å; W191-M195 WeakPolarHBondContact O-CB 3.41Å; W191-M195 PolarHBondContact O-N 3.32Å; W191-M195 VanDerWaalsContact O-N 3.09Å
192F82.4Confident74.4Confident45 Ų4590.5 Ų90.520%0.19747%0.467CS..Hα-helixtrans-72.5-39.5178.8-174.9-92.3000110.5Y184 Q188 P189 T190 M195 M196Y184-F192 HydrophobicContact CE1-CE1 4.28Å; Q188-F192 HydrophobicContact CB-CB 4.27Å; Q188-F192 HydrophobicContact CB-CD1 3.6Å; Q188-F192 HydrophobicContact CB-CE1 4.38Å; Q188-F192 HydrophobicContact CB-CG 4.28Å; Q188-F192 HydrophobicContact CG-CD1 3.68Å; Q188-F192 HydrophobicContact CG-CE1 3.98Å; P189-F192 HydrophobicContact CG-CB 4.2Å; P189-F192 PolarHBondContact O-N 3.05Å; T190-F192 PolarHBondContact O-N 3.3Å; F192-M195 PolarHBondContact O-N 2.8Å; F192-M196 HydrophobicContact CD1-CG 4.33Å; F192-M196 HydrophobicContact CD2-CG 4.42Å; F192-M196 HydrophobicContact CE1-CB 4.4Å; F192-M196 HydrophobicContact CE1-CG 3.97Å; F192-M196 HydrophobicContact CE2-CG 4.06Å; F192-M196 HydrophobicContact CZ-CE 4.5Å; F192-M196 HydrophobicContact CZ-CG 3.83Å; F192-M196 WeakPolarHBondContact O-CB 3.43Å; F192-M196 PolarHBondContact O-N 2.8Å
193K77.9Confident72.7Confident86 Ų8691.7 Ų91.737%0.37447%0.471SS..Hα-helixtrans-59.6-46.1173.3-171.4177.3-173.8172.80111.5D186 P189 T190 M195 M196 S197D186-K193 VanDerWaalsContact OD1-CE 3.27Å; D186-K193 WeakPolarHBondContact OD1-CE 3.32Å; D186-K193 IonicContact OD1-NZ 2.64Å; D186-K193 PolarHBondContact OD1-NZ 3.04Å; P189-K193 PolarHBondContact O-N 3.08Å; T190-K193 PolarHBondContact O-N 2.96Å; K193-M195 VanDerWaalsContact C-N 3.32Å; K193-M195 PolarHBondContact O-N 2.67Å; K193-M196 PolarHBondContact O-N 3.42Å; K193-S197 WeakPolarHBondContact O-CB 3.22Å; K193-S197 PolarHBondContact O-N 3.36Å
194T77.9Confident70.9Confident107 Ų10789.8 Ų89.866%0.65647%0.468SS*.Hα-helixtrans-64.4-36.8177.3-56.20000112.4T190T190-T194 PolarHBondContact O-N 3.11Å; T190-T194 PolarHBondContact O-OG1 2.75Å
195M78.1Confident68.9Low73 Ų7393.8 Ų93.836%0.3649%0.49SS..Hα-helixtrans-71.5-35.4-179.5-176.7179.9176.800113.3C27 H172 F175 W191 F192 K193C27-M195 VanDerWaalsContact CB-O 3.31Å; C27-M195 WeakPolarHBondContact CB-O 3.46Å; H172-M195 PolarHBondContact NE2-O 3.46Å; F175-M195 HydrophobicContact CD2-CE 3.68Å; F175-M195 HydrophobicContact CE1-CE 4.06Å; F175-M195 HydrophobicContact CE2-CE 2.98Å; F175-M195 HydrophobicContact CE2-CG 4.44Å; F175-M195 HydrophobicContact CG-CE 4.5Å; F175-M195 HydrophobicContact CZ-CE 3.19Å; W191-M195 HydrophobicContact CE3-SD 4.47Å; W191-M195 HydrophobicContact CZ3-SD 4.16Å; W191-M195 WeakPolarHBondContact O-CB 3.41Å; W191-M195 PolarHBondContact O-N 3.32Å; W191-M195 VanDerWaalsContact O-N 3.09Å; F192-M195 PolarHBondContact O-N 2.8Å; K193-M195 VanDerWaalsContact C-N 3.32Å; K193-M195 PolarHBondContact O-N 2.67Å
196M77.6Confident67Low10 Ų10101 Ų1015%0.04952%0.523CS..Hα-helixtrans-109.511.1-172.9-60.9-72.4-73.200112.9H172 P180 L185 F192 K193H172-M196 PolarHBondContact CD2-SD 2.88Å; P180-M196 HydrophobicContact CG-CE 4.13Å; L185-M196 HydrophobicContact CD2-CB 3.55Å; F192-M196 HydrophobicContact CD1-CG 4.33Å; F192-M196 HydrophobicContact CD2-CG 4.42Å; F192-M196 HydrophobicContact CE1-CB 4.4Å; F192-M196 HydrophobicContact CE1-CG 3.97Å; F192-M196 HydrophobicContact CE2-CG 4.06Å; F192-M196 HydrophobicContact CZ-CE 4.5Å; F192-M196 HydrophobicContact CZ-CG 3.83Å; F192-M196 WeakPolarHBondContact O-CB 3.43Å; F192-M196 PolarHBondContact O-N 2.8Å; K193-M196 PolarHBondContact O-N 3.42Å
197S74.2Confident65.2Low48 Ų48103.8 Ų103.834%0.33654%0.538SS..  trans-79.6127.7176.3175.40000111C27 K193 G199C27-S197 PolarHBondContact N-O 3.17Å; C27-S197 PolarHBondContact SG-O 3.48Å; K193-S197 WeakPolarHBondContact O-CB 3.22Å; K193-S197 PolarHBondContact O-N 3.36Å; S197-G199 VanDerWaalsContact C-N 3.3Å; S197-G199 PolarHBondContact OG-N 3.46Å
198D69.3Low63.3Low16 Ų1698.2 Ų98.29%0.08653%0.528CS..  trans-91.810.4175.866.8-13.9000113.1L28 R29 R170 H200L28-D198 HydrophobicContact CB-CB 4.12Å; L28-D198 HydrophobicContact CD2-CB 4.46Å; R29-D198 PolarHBondContact NH1-O 3.48Å; R170-D198 IonicContact CZ-OD2 3.5Å; R170-D198 IonicContact NH2-OD2 2.57Å; R170-D198 PolarHBondContact NH2-OD2 3.07Å; D198-H200 PolarHBondContact O-N 2.87Å; D198-H200 PolarHBondContact OD1-N 3.49Å; D198-H200 IonicContact OD2-CD2 2.72Å
199G63.4Low61.9Low49 Ų4998.6 Ų98.651%0.50554%0.535SS..  trans67.714.3176.600000115S197 D201S197-G199 VanDerWaalsContact C-N 3.3Å; S197-G199 PolarHBondContact OG-N 3.46Å; G199-D201 PolarHBondContact O-N 3.1Å
200H59.5Low60.3Low127 Ų12797.5 Ų97.559%0.58853%0.528SS*.  trans-74.188.8170.1-105.3-68000110.3D198 L202D198-H200 PolarHBondContact O-N 2.87Å; D198-H200 PolarHBondContact OD1-N 3.49Å; D198-H200 IonicContact OD2-CD2 2.72Å; H200-L202 PolarHBondContact O-N 3.02Å
201D49Very low59.2Low125 Ų12592.5 Ų92.567%0.66850%0.496SS*.  trans-74118.3159.9-87.4-24.9000108.5G199 S203G199-D201 PolarHBondContact O-N 3.1Å; D201-S203 PolarHBondContact O-N 3.16Å
202L46.8Very low57.9Low177 Ų17787.5 Ų87.593%0.92748%0.48SS*.THydrogen-bonded Turntrans-660.4-179.3-143.783.3000113.4H200H200-L202 PolarHBondContact O-N 3.02Å
203S39.9Very low56.9Low95 Ų9591.5 Ų91.566%0.66450%0.503SS*.THydrogen-bonded Turntrans-105.4-1.5-165.255.70000116.4D201D201-S203 PolarHBondContact O-N 3.16Å
204T38.4Very low56.8Low89 Ų8987.9 Ų87.955%0.54649%0.487SS..  trans-122.798.3178.748.80000112.4H206T204-H206 PolarHBondContact O-N 3.23Å
205H38.6Very low57Low203 Ų20390.3 Ų90.394%0.9449%0.489SS*.  trans-65.118165.6-91.3-73.8000114.3
206H38.4Very low57.3Low163 Ų16388.6 Ų88.676%0.75548%0.481SS*.SBendtrans-101.7132.4177.7-95.5-62.6000110.6T204 S208T204-H206 PolarHBondContact O-N 3.23Å; H206-S208 PolarHBondContact O-N 3.46Å
207D40.1Very low57.6Low168 Ų16890.2 Ų90.290%0.89849%0.489SS*.  trans-52.562.1173.2-64.9-51000113.7
208S42.7Very low58.1Low73 Ų7391.5 Ų91.551%0.5149%0.489SS..  trans-84.9116.2171.656.90000108.2H206 P210H206-S208 PolarHBondContact O-N 3.46Å; S208-P210 WeakPolarHBondContact O-CD 3.32Å
209V55.3Low59Low70 Ų7095.3 Ų95.342%0.42451%0.505SS..  trans-68113176.9-178.70000107.2Y211 Q212V209-Y211 VanDerWaalsContact C-N 3.3Å; V209-Y211 PolarHBondContact O-N 3.15Å; V209-Q212 HydrophobicContact CB-CG 3.93Å; V209-Q212 HydrophobicContact CG1-CG 4.49Å; V209-Q212 WeakPolarHBondContact O-CB 3.18Å; V209-Q212 WeakPolarHBondContact O-CG 3.48Å; V209-Q212 PolarHBondContact O-N 3.44Å
210P53.8Low60.2Low37 Ų3793.1 Ų93.124%0.2448%0.482CS..G310 helixtrans-67.8-24.8-163.3-24.436.1000115.2R29 E91 S208 Q212 N213R29-P210 VanDerWaalsContact NE-CB 3.31Å; R29-P210 VanDerWaalsContact NH2-CB 3.28Å; R29-P210 VanDerWaalsContact NH2-CG 3.33Å; E91-P210 WeakPolarHBondContact OE1-CB 3.43Å; E91-P210 WeakPolarHBondContact OE1-CG 3.4Å; S208-P210 WeakPolarHBondContact O-CD 3.32Å; P210-Q212 PolarHBondContact O-N 3.06Å; P210-Q212 VanDerWaalsContact O-N 3.1Å; P210-N213 PolarHBondContact O-N 3.24Å
211Y56.8Low61.4Low11 Ų1189.4 Ų89.44%0.04346%0.463CS..G310 helixtrans-64.9-7.4172.6-80.6-78.5000114.3M24 R29 R87 E91 E167 V209 N213 H214M24-Y211 HydrophobicContact CE-CD1 3.55Å; M24-Y211 HydrophobicContact CE-CE1 3.49Å; M24-Y211 VanDerWaalsContact CE-CE1 3.49Å; M24-Y211 HydrophobicContact SD-CD1 4.3Å; R29-Y211 HydrophobicContact CB-CE1 3.91Å; R29-Y211 HydrophobicContact CG-CE2 4.49Å; R87-Y211 HydrophobicContact CB-CD1 3.51Å; R87-Y211 HydrophobicContact CB-CD2 4.47Å; R87-Y211 HydrophobicContact CB-CE1 3.96Å; R87-Y211 HydrophobicContact CB-CG 3.79Å; R87-Y211 HydrophobicContact CG-CD1 3.38Å; R87-Y211 HydrophobicContact CG-CE1 3.47Å; R87-Y211 VanDerWaalsContact CG-CE1 3.47Å; R87-Y211 HydrophobicContact CG-CG 4.18Å; R87-Y211 WeakPolarHBondContact O-CB 3.5Å; R87-Y211 VanDerWaalsContact O-CD2 3.3Å; R87-Y211 WeakPolarHBondContact O-CD2 3.42Å; R87-Y211 VanDerWaalsContact O-CG 3.32Å; E91-Y211 HydrophobicContact CG-CD2 4.46Å; E91-Y211 HydrophobicContact CG-CE2 4.16Å; E91-Y211 VanDerWaalsContact OE1-CD2 3.29Å; E91-Y211 WeakPolarHBondContact OE1-CD2 3.33Å; E91-Y211 VanDerWaalsContact OE1-CE2 3.3Å; E91-Y211 WeakPolarHBondContact OE1-CE2 3.32Å; E167-Y211 VanDerWaalsContact CD-OH 3.31Å; E167-Y211 PolarHBondContact OE1-OH 2.92Å; E167-Y211 PolarHBondContact OE2-OH 3.19Å; V209-Y211 VanDerWaalsContact C-N 3.3Å; V209-Y211 PolarHBondContact O-N 3.15Å; Y211-N213 PolarHBondContact O-N 3.33Å; Y211-H214 PolarHBondContact O-N 3.19Å
212Q56.1Low63Low65 Ų6587.4 Ų87.430%0.30445%0.449SS..G310 helixtrans-67.5-13.3174.6-68.2179.10.800113.8V209 P210 H214 R221V209-Q212 HydrophobicContact CB-CG 3.93Å; V209-Q212 HydrophobicContact CG1-CG 4.49Å; V209-Q212 WeakPolarHBondContact O-CB 3.18Å; V209-Q212 WeakPolarHBondContact O-CG 3.48Å; V209-Q212 PolarHBondContact O-N 3.44Å; P210-Q212 PolarHBondContact O-N 3.06Å; P210-Q212 VanDerWaalsContact O-N 3.1Å; Q212-H214 VanDerWaalsContact C-N 3.31Å; Q212-H214 PolarHBondContact O-N 3.17Å; Q212-R221 VanDerWaalsContact CB-NH1 3.32Å
213N61.1Low65Low130 Ų13084.3 Ų84.370%0.69543%0.43SS*.G310 helixtrans-83.2-0.3177.3-70.5-17.7000114.2P210 Y211 F215P210-N213 PolarHBondContact O-N 3.24Å; Y211-N213 PolarHBondContact O-N 3.33Å; N213-F215 PolarHBondContact O-N 3.11Å
214H75.4Confident67.5Low9 Ų981.5 Ų81.54%0.04241%0.405CS..  trans-63127.3171.7-179.6-111.2000110.2S21 M24 R87 Y211 Q212 I216 Q217 H218S21-H214 PolarHBondContact O-NE2 3.29Å; M24-H214 HydrophobicContact SD-CB 3.77Å; R87-H214 PolarHBondContact NH1-CD2 3.19Å; R87-H214 PolarHBondContact NH1-CE1 2.93Å; R87-H214 PolarHBondContact NH1-NE2 3.27Å; R87-H214 VanDerWaalsContact NH1-NE2 3.1Å; Y211-H214 PolarHBondContact O-N 3.19Å; Q212-H214 VanDerWaalsContact C-N 3.31Å; Q212-H214 PolarHBondContact O-N 3.17Å; H214-I216 PolarHBondContact O-N 3.11Å; H214-Q217 HydrophobicContact CB-CB 3.93Å; H214-Q217 PolarHBondContact ND1-N 3.48Å; H214-Q217 WeakPolarHBondContact O-CB 3.17Å; H214-Q217 PolarHBondContact O-N 3.09Å; H214-H218 WeakPolarHBondContact O-CB 3.43Å; H214-H218 PolarHBondContact O-N 3.05Å
215F81.8Confident69.9Low159 Ų15977.3 Ų77.370%0.69738%0.379SS*.Hα-helixtrans-52.3-48.6-172176.3-99.6000113.5N213 Q217 H218 F219N213-F215 PolarHBondContact O-N 3.11Å; F215-Q217 PolarHBondContact O-N 3.38Å; F215-H218 PolarHBondContact O-N 3.2Å; F215-F219 WeakPolarHBondContact O-CB 3.33Å; F215-F219 PolarHBondContact O-N 3.11Å
216I84.9Confident72.3Confident36 Ų3672.8 Ų72.819%0.18536%0.359CS..Hα-helixtrans-65.9-40.9-179-55.1177.6000110.7H214 L220 A529 L532 Q533H214-I216 PolarHBondContact O-N 3.11Å; I216-L220 HydrophobicContact CG2-CD1 4.09Å; I216-L220 HydrophobicContact CG2-CG 4.47Å; I216-L220 WeakPolarHBondContact O-CB 3.26Å; I216-L220 VanDerWaalsContact O-CG 3.3Å; I216-L220 WeakPolarHBondContact O-CG 3.35Å; I216-L220 PolarHBondContact O-N 2.9Å; I216-A529 HydrophobicContact CB-CB 4.47Å; I216-A529 HydrophobicContact CG2-CB 3.98Å; I216-L532 HydrophobicContact CG2-CB 4.37Å; I216-L532 HydrophobicContact CG2-CD1 3.8Å; I216-Q533 HydrophobicContact CD1-CG 3.92Å
217Q84.6Confident74.9Confident44 Ų4471.5 Ų71.521%0.20635%0.347CS..Hα-helixtrans-66.5-46-179-170.270.411.500110.7H214 F215 L220 R221 E525 A529H214-Q217 HydrophobicContact CB-CB 3.93Å; H214-Q217 PolarHBondContact ND1-N 3.48Å; H214-Q217 WeakPolarHBondContact O-CB 3.17Å; H214-Q217 PolarHBondContact O-N 3.09Å; F215-Q217 PolarHBondContact O-N 3.38Å; Q217-L220 PolarHBondContact O-N 3.42Å; Q217-R221 WeakPolarHBondContact O-CB 3.28Å; Q217-R221 PolarHBondContact O-N 2.81Å; Q217-E525 PolarHBondContact NE2-O 3.44Å; Q217-E525 PolarHBondContact OE1-O 3.39Å; Q217-A529 VanDerWaalsContact OE1-CB 3.25Å
218H84.5Confident77.4Confident75 Ų7563.6 Ų63.635%0.34731%0.305SS..Hα-helixtrans-62-47.1177.5-179.3-82.3000111.5H214 F215 L220 R221 E222H214-H218 WeakPolarHBondContact O-CB 3.43Å; H214-H218 PolarHBondContact O-N 3.05Å; F215-H218 PolarHBondContact O-N 3.2Å; H218-L220 PolarHBondContact O-N 3.04Å; H218-R221 PolarHBondContact O-N 2.82Å; H218-E222 WeakPolarHBondContact O-CB 3.49Å; H218-E222 WeakPolarHBondContact O-CG 3.32Å; H218-E222 PolarHBondContact O-N 2.9Å
219F88Confident79.6Confident97 Ų9760.8 Ų60.843%0.42529%0.285SS..Hα-helixtrans-59.4-45.8175.9172.9-99.3000112F215 H223 Y224F215-F219 WeakPolarHBondContact O-CB 3.33Å; F215-F219 PolarHBondContact O-N 3.11Å; F219-H223 HydrophobicContact CD2-CB 4.2Å; F219-H223 HydrophobicContact CE2-CB 4.23Å; F219-H223 WeakPolarHBondContact O-CB 3.48Å; F219-H223 PolarHBondContact O-N 3.24Å; F219-H223 VanDerWaalsContact O-N 3.11Å; F219-Y224 HydrophobicContact CE1-CD2 4.39Å; F219-Y224 PolarHBondContact O-N 3.18Å
220L88Confident81.3Confident2 Ų260.8 Ų60.81%0.0128%0.282CS..Iπ-helixtrans-61.3-49.8179.2-77.3174000111.4I216 Q217 H218 Y224 T225 G528 A529 L532 F572I216-L220 HydrophobicContact CG2-CD1 4.09Å; I216-L220 HydrophobicContact CG2-CG 4.47Å; I216-L220 WeakPolarHBondContact O-CB 3.26Å; I216-L220 VanDerWaalsContact O-CG 3.3Å; I216-L220 WeakPolarHBondContact O-CG 3.35Å; I216-L220 PolarHBondContact O-N 2.9Å; Q217-L220 PolarHBondContact O-N 3.42Å; H218-L220 PolarHBondContact O-N 3.04Å; L220-Y224 HydrophobicContact CD2-CD1 3.91Å; L220-Y224 HydrophobicContact CD2-CG 4.09Å; L220-Y224 PolarHBondContact O-N 3.12Å; L220-T225 WeakPolarHBondContact O-CG2 3.31Å; L220-T225 PolarHBondContact O-N 3.09Å; L220-T225 PolarHBondContact O-OG1 3.47Å; L220-G528 VanDerWaalsContact CD1-C 3.45Å; L220-A529 HydrophobicContact CD1-CB 4.28Å; L220-L532 HydrophobicContact CD1-CD1 4.09Å; L220-L532 HydrophobicContact CD2-CD1 4.09Å; L220-L532 HydrophobicContact CG-CD1 4.29Å; L220-F572 HydrophobicContact CD2-CD1 4.37Å; L220-F572 HydrophobicContact CD2-CE1 3.88Å
221R84.4Confident83Confident49 Ų4963.8 Ų63.819%0.18530%0.3CS..Iπ-helixtrans-65.2-57.3-178.2-175.2-179.873.3-165.51.4112.5Q212 Q217 H218 T225 E525Q212-R221 VanDerWaalsContact CB-NH1 3.32Å; Q217-R221 WeakPolarHBondContact O-CB 3.28Å; Q217-R221 PolarHBondContact O-N 2.81Å; H218-R221 PolarHBondContact O-N 2.82Å; R221-T225 PolarHBondContact O-OG1 3.19Å; R221-E525 HydrophobicContact CB-CG 4.05Å; R221-E525 HydrophobicContact CG-CG 4.13Å
222E84.2Confident84.7Confident83 Ų8371.9 Ų71.939%0.38833%0.332SS..Iπ-helixtrans-80.3-28.5-167-62.3-61.7155.800113.6H218H218-E222 WeakPolarHBondContact O-CB 3.49Å; H218-E222 WeakPolarHBondContact O-CG 3.32Å; H218-E222 PolarHBondContact O-N 2.9Å
223H88.1Confident86.4Confident113 Ų11369.6 Ų69.652%0.52332%0.322SS..Iπ-helixtrans-117-54.2-172.8-61.870.3000111.3F219 W227F219-H223 HydrophobicContact CD2-CB 4.2Å; F219-H223 HydrophobicContact CE2-CB 4.23Å; F219-H223 WeakPolarHBondContact O-CB 3.48Å; F219-H223 PolarHBondContact O-N 3.24Å; F219-H223 VanDerWaalsContact O-N 3.11Å; H223-W227 WeakPolarHBondContact O-CB 3.18Å; H223-W227 PolarHBondContact O-N 3.06Å
224Y92Very high87.9Confident35 Ų3565.1 Ų65.114%0.13730%0.296CS..Iπ-helixtrans-70-49.1-169.6-172.6-97.6000113.2F219 L220 E226 W227 I228 L524 F572F219-Y224 HydrophobicContact CE1-CD2 4.39Å; F219-Y224 PolarHBondContact O-N 3.18Å; L220-Y224 HydrophobicContact CD2-CD1 3.91Å; L220-Y224 HydrophobicContact CD2-CG 4.09Å; L220-Y224 PolarHBondContact O-N 3.12Å; Y224-E226 VanDerWaalsContact C-N 3.29Å; Y224-E226 PolarHBondContact O-N 3.02Å; Y224-W227 HydrophobicContact CD2-CE3 4.27Å; Y224-W227 HydrophobicContact CE2-CE3 4Å; Y224-W227 AromaticContact CE2-CZ3 3.89Å; Y224-W227 HydrophobicContact CE2-CZ3 3.89Å; Y224-W227 PolarHBondContact O-N 3.25Å; Y224-I228 HydrophobicContact CD1-CG2 4.38Å; Y224-I228 HydrophobicContact CE1-CB 4.26Å; Y224-I228 HydrophobicContact CE1-CG2 4.13Å; Y224-I228 WeakPolarHBondContact O-CG2 3.28Å; Y224-I228 PolarHBondContact O-N 3.36Å; Y224-L524 HydrophobicContact CD1-CD2 3.8Å; Y224-L524 HydrophobicContact CE1-CD2 3.63Å; Y224-F572 HydrophobicContact CE1-CB 4.26Å; Y224-F572 AromaticContact CE1-CD1 3.87Å; Y224-F572 HydrophobicContact CE1-CD1 3.87Å; Y224-F572 WeakPolarHBondContact OH-CB 2.96Å; Y224-F572 PolarHBondContact OH-O 3.27Å
225T89Confident88.8Confident1 Ų168 Ų681%0.00632%0.316CS..Hα-helixtrans-65.8-33.6-17666.40000112.2L220 R221 T229 L524 E525L220-T225 WeakPolarHBondContact O-CG2 3.31Å; L220-T225 PolarHBondContact O-N 3.09Å; L220-T225 PolarHBondContact O-OG1 3.47Å; R221-T225 PolarHBondContact O-OG1 3.19Å; T225-T229 WeakPolarHBondContact O-CB 3.17Å; T225-T229 VanDerWaalsContact O-CG2 3.26Å; T225-T229 WeakPolarHBondContact O-CG2 3.05Å; T225-T229 PolarHBondContact O-N 3.23Å; T225-T229 PolarHBondContact O-OG1 2.91Å; T225-L524 HydrophobicContact CG2-CB 3.79Å; T225-L524 HydrophobicContact CG2-CD2 4.12Å; T225-E525 HydrophobicContact CG2-CG 4.4Å
226E89.2Confident89.4Confident109 Ų10967.6 Ų67.651%0.50931%0.314SS..Hα-helixtrans-64.5-46.3174-60.5-11912200111.2Y224 T229 N230 K521Y224-E226 VanDerWaalsContact C-N 3.29Å; Y224-E226 PolarHBondContact O-N 3.02Å; E226-T229 PolarHBondContact O-OG1 3.23Å; E226-N230 PolarHBondContact O-N 3.1Å; E226-K521 IonicContact OE1-NZ 2.68Å; E226-K521 PolarHBondContact OE1-NZ 3.3Å
227W92.5Very high89.9Confident136 Ų13666.1 Ų66.152%0.51531%0.307SS..Hα-helixtrans-64.3-52.1179.1175.276.9000112.4H223 Y224 T229 N230 V233H223-W227 WeakPolarHBondContact O-CB 3.18Å; H223-W227 PolarHBondContact O-N 3.06Å; Y224-W227 HydrophobicContact CD2-CE3 4.27Å; Y224-W227 HydrophobicContact CE2-CE3 4Å; Y224-W227 AromaticContact CE2-CZ3 3.89Å; Y224-W227 HydrophobicContact CE2-CZ3 3.89Å; Y224-W227 PolarHBondContact O-N 3.25Å; W227-T229 VanDerWaalsContact C-N 3.29Å; W227-T229 PolarHBondContact O-N 3.12Å; W227-N230 WeakPolarHBondContact O-CB 3.42Å; W227-N230 PolarHBondContact O-N 3.2Å; W227-V233 HydrophobicContact CH2-CG1 4.47Å; W227-V233 HydrophobicContact CZ2-CG1 4.2Å; W227-V233 WeakPolarHBondContact O-CG2 3.37Å
228I93.3Very high90.4Very high2 Ų266.2 Ų66.21%0.0131%0.311CS..Hα-helixtrans-68.3-28.8-174.3-16661.1000113Y224 N230 V233 V237 L524 V573 P576 V577Y224-I228 HydrophobicContact CD1-CG2 4.38Å; Y224-I228 HydrophobicContact CE1-CB 4.26Å; Y224-I228 HydrophobicContact CE1-CG2 4.13Å; Y224-I228 WeakPolarHBondContact O-CG2 3.28Å; Y224-I228 PolarHBondContact O-N 3.36Å; I228-N230 VanDerWaalsContact C-N 3.32Å; I228-V233 HydrophobicContact CD1-CG1 4.27Å; I228-V237 HydrophobicContact CD1-CG2 4.2Å; I228-L524 HydrophobicContact CG2-CD2 4.26Å; I228-V573 HydrophobicContact CD1-CG1 4.32Å; I228-P576 HydrophobicContact CG1-CB 4.4Å; I228-V577 HydrophobicContact CD1-CG2 4.03Å; I228-V577 HydrophobicContact CG1-CG2 4.26Å
229T88.4Confident91Very high14 Ų1467.1 Ų67.19%0.08632%0.317CS..Hα-helixtrans-84.7-8.1179.760.60000113.6T225 E226 W227 T517 I520 K521T225-T229 WeakPolarHBondContact O-CB 3.17Å; T225-T229 VanDerWaalsContact O-CG2 3.26Å; T225-T229 WeakPolarHBondContact O-CG2 3.05Å; T225-T229 PolarHBondContact O-N 3.23Å; T225-T229 PolarHBondContact O-OG1 2.91Å; E226-T229 PolarHBondContact O-OG1 3.23Å; W227-T229 VanDerWaalsContact C-N 3.29Å; W227-T229 PolarHBondContact O-N 3.12Å; T229-T517 HydrophobicContact CG2-CG2 3.87Å; T229-I520 HydrophobicContact CG2-CG2 4.07Å; T229-K521 HydrophobicContact CG2-CG 4.26Å
230N91Very high91.4Very high69 Ų6966 Ų6637%0.36932%0.315SS..SBendtrans-62.5133.6178.2-169.9-23.7000111.5E226 W227 I228 Y232 V233E226-N230 PolarHBondContact O-N 3.1Å; W227-N230 WeakPolarHBondContact O-CB 3.42Å; W227-N230 PolarHBondContact O-N 3.2Å; I228-N230 VanDerWaalsContact C-N 3.32Å; N230-Y232 PolarHBondContact O-N 2.97Å; N230-Y232 VanDerWaalsContact OD1-CD2 3.24Å; N230-Y232 WeakPolarHBondContact OD1-CD2 3.19Å; N230-Y232 PolarHBondContact OD1-N 3.22Å; N230-Y232 VanDerWaalsContact OD1-N 3.15Å; N230-V233 HydrophobicContact CB-CG2 4.17Å; N230-V233 PolarHBondContact O-N 2.88Å; N230-V233 VanDerWaalsContact O-N 3.08Å
231T89.1Confident91.9Very high101 Ų10168 Ų6862%0.6232%0.323SS*.THydrogen-bonded Turntrans-55.5-34.2179.8-58.10000112.9V233 P235T231-V233 VanDerWaalsContact C-N 3.34Å; T231-V233 PolarHBondContact O-N 2.88Å; T231-P235 WeakPolarHBondContact O-CD 3.28Å
232Y92.3Very high92.4Very high181 Ų18170.6 Ų70.671%0.7134%0.34SS*.THydrogen-bonded Turntrans-72.2-24.9-179.8-60.6-68.9000113.6N230 P235 F236N230-Y232 PolarHBondContact O-N 2.97Å; N230-Y232 VanDerWaalsContact OD1-CD2 3.24Å; N230-Y232 WeakPolarHBondContact OD1-CD2 3.19Å; N230-Y232 PolarHBondContact OD1-N 3.22Å; N230-Y232 VanDerWaalsContact OD1-N 3.15Å; Y232-P235 WeakPolarHBondContact O-CD 3.37Å; Y232-P235 WeakPolarHBondContact O-CG 3.06Å; Y232-F236 WeakPolarHBondContact O-CD2 3.32Å; Y232-F236 WeakPolarHBondContact O-CE2 3.48Å
233V93.2Very high93Very high17 Ų1770.7 Ų70.710%0.10334%0.342CS..Hα-helixtrans-79.7-29.4-178.91760000111.5W227 I228 N230 T231 F236 V237W227-V233 HydrophobicContact CH2-CG1 4.47Å; W227-V233 HydrophobicContact CZ2-CG1 4.2Å; W227-V233 WeakPolarHBondContact O-CG2 3.37Å; I228-V233 HydrophobicContact CD1-CG1 4.27Å; N230-V233 HydrophobicContact CB-CG2 4.17Å; N230-V233 PolarHBondContact O-N 2.88Å; N230-V233 VanDerWaalsContact O-N 3.08Å; T231-V233 VanDerWaalsContact C-N 3.34Å; T231-V233 PolarHBondContact O-N 2.88Å; V233-F236 PolarHBondContact O-N 3.21Å; V233-F236 VanDerWaalsContact O-N 3.16Å; V233-V237 HydrophobicContact CG1-CG2 3.94Å; V233-V237 PolarHBondContact O-N 3.08Å; V233-V237 VanDerWaalsContact O-N 3.08Å
234K92.3Very high93.5Very high35 Ų3566.1 Ų66.115%0.15232%0.32CS..Hα-helixtrans-52.4-50.6-178.3-58.2-175.3-176.9-172.40115F236 V237 V238 V577 T580 F581K234-F236 VanDerWaalsContact C-N 3.31Å; K234-F236 PolarHBondContact O-N 3.39Å; K234-V237 PolarHBondContact O-N 2.64Å; K234-V238 WeakPolarHBondContact O-CG2 3.43Å; K234-V238 PolarHBondContact O-N 3.37Å; K234-V577 HydrophobicContact CB-CG1 4.02Å; K234-V577 HydrophobicContact CG-CG1 4.09Å; K234-T580 PolarHBondContact NZ-OG1 3.07Å; K234-T580 VanDerWaalsContact NZ-OG1 3.16Å; K234-F581 HydrophobicContact CB-CZ 4.46Å
235P93.7Very high93.7Very high71 Ų7166.1 Ų66.146%0.46133%0.328SS..Hα-helixtrans-61.5-38.1179.223.3-34.3000112.6T231 Y232 V237 V238 I239T231-P235 WeakPolarHBondContact O-CD 3.28Å; Y232-P235 WeakPolarHBondContact O-CD 3.37Å; Y232-P235 WeakPolarHBondContact O-CG 3.06Å; P235-V237 VanDerWaalsContact C-N 3.34Å; P235-V237 PolarHBondContact O-N 3.36Å; P235-V238 PolarHBondContact O-N 3Å; P235-I239 WeakPolarHBondContact O-CG1 3.49Å; P235-I239 PolarHBondContact O-N 3.42Å
236F95.3Very high94Very high149 Ų14969.8 Ų69.865%0.65435%0.354SS*.Hα-helixtrans-64-39.6176.2-65.1-76.4000112Y232 V233 K234 I239 L240Y232-F236 WeakPolarHBondContact O-CD2 3.32Å; Y232-F236 WeakPolarHBondContact O-CE2 3.48Å; V233-F236 PolarHBondContact O-N 3.21Å; V233-F236 VanDerWaalsContact O-N 3.16Å; K234-F236 VanDerWaalsContact C-N 3.31Å; K234-F236 PolarHBondContact O-N 3.39Å; F236-I239 PolarHBondContact O-N 2.88Å; F236-L240 WeakPolarHBondContact O-CB 3.33Å; F236-L240 PolarHBondContact O-N 3.41Å
237V96.1Very high94.3Very high6 Ų669.5 Ų69.54%0.03635%0.351CS..Hα-helixtrans-66.2-38.5175.9171.80000111.9I228 V233 K234 P235 L240 Y241 V573 V577I228-V237 HydrophobicContact CD1-CG2 4.2Å; V233-V237 HydrophobicContact CG1-CG2 3.94Å; V233-V237 PolarHBondContact O-N 3.08Å; V233-V237 VanDerWaalsContact O-N 3.08Å; K234-V237 PolarHBondContact O-N 2.64Å; P235-V237 VanDerWaalsContact C-N 3.34Å; P235-V237 PolarHBondContact O-N 3.36Å; V237-L240 PolarHBondContact O-N 2.92Å; V237-Y241 PolarHBondContact O-N 3.37Å; V237-V573 HydrophobicContact CB-CG1 4.41Å; V237-V573 HydrophobicContact CG1-CG1 3.9Å; V237-V573 HydrophobicContact CG2-CG1 3.72Å; V237-V577 HydrophobicContact CB-CB 4.27Å; V237-V577 HydrophobicContact CB-CG1 4.17Å; V237-V577 HydrophobicContact CB-CG2 3.94Å; V237-V577 HydrophobicContact CG1-CB 3.76Å; V237-V577 HydrophobicContact CG1-CG1 4.01Å; V237-V577 HydrophobicContact CG1-CG2 3.76Å; V237-V577 HydrophobicContact CG2-CG2 3.94Å
238V95.1Very high94.4Very high46 Ų4663.3 Ų63.328%0.27933%0.328SS..Hα-helixtrans-64-43.8174.7174.20000110.9K234 P235 L240 Y241 L242 F581K234-V238 WeakPolarHBondContact O-CG2 3.43Å; K234-V238 PolarHBondContact O-N 3.37Å; P235-V238 PolarHBondContact O-N 3Å; V238-L240 PolarHBondContact O-N 3.44Å; V238-Y241 PolarHBondContact O-N 3.45Å; V238-L242 HydrophobicContact CG1-CD1 4.48Å; V238-L242 WeakPolarHBondContact O-CG 3.47Å; V238-L242 PolarHBondContact O-N 3.39Å; V238-F581 HydrophobicContact CG2-CE2 4.13Å; V238-F581 HydrophobicContact CG2-CZ 4.28Å
239I96.6Very high94.4Very high94 Ų9469.8 Ų69.848%0.48236%0.356SS..Hα-helixtrans-61.1-45.3175.2-67.8166.2000110.6P235 F236 Y241 L242 I243P235-I239 WeakPolarHBondContact O-CG1 3.49Å; P235-I239 PolarHBondContact O-N 3.42Å; F236-I239 PolarHBondContact O-N 2.88Å; I239-Y241 VanDerWaalsContact C-N 3.31Å; I239-Y241 PolarHBondContact O-N 2.98Å; I239-L242 PolarHBondContact O-N 3.23Å; I239-I243 HydrophobicContact CG2-CD1 3.98Å; I239-I243 WeakPolarHBondContact O-CG1 3.16Å; I239-I243 PolarHBondContact O-N 3.01Å
240L96.8Very high94.6Very high73 Ų7372.8 Ų72.838%0.38237%0.371SS..Hα-helixtrans-58.8-42.5176.6-179.664.8000111.8F236 V237 V238 I243 Y244 L569 V573F236-L240 WeakPolarHBondContact O-CB 3.33Å; F236-L240 PolarHBondContact O-N 3.41Å; V237-L240 PolarHBondContact O-N 2.92Å; V238-L240 PolarHBondContact O-N 3.44Å; L240-I243 PolarHBondContact O-N 3.24Å; L240-Y244 WeakPolarHBondContact O-CB 3.4Å; L240-Y244 PolarHBondContact O-N 3.25Å; L240-L569 HydrophobicContact CD2-CD1 4.03Å; L240-V573 HydrophobicContact CD2-CG1 4.22Å
241Y96.7Very high94.6Very high44 Ų4469.5 Ų69.517%0.17335%0.353CS..Hα-helixtrans-63.7-41.3176.1-178.5-104.4000112.4V237 V238 I239 Y244 A245 S466 I574 F578V237-Y241 PolarHBondContact O-N 3.37Å; V238-Y241 PolarHBondContact O-N 3.45Å; I239-Y241 VanDerWaalsContact C-N 3.31Å; I239-Y241 PolarHBondContact O-N 2.98Å; Y241-Y244 HydrophobicContact CD2-CD1 4.31Å; Y241-Y244 HydrophobicContact CE2-CD1 4.3Å; Y241-Y244 PolarHBondContact O-N 3.35Å; Y241-A245 VanDerWaalsContact O-CB 3.29Å; Y241-A245 WeakPolarHBondContact O-CB 3.36Å; Y241-A245 PolarHBondContact O-N 3.44Å; Y241-S466 PolarHBondContact OH-OG 3.1Å; Y241-S466 VanDerWaalsContact OH-OG 3.06Å; Y241-I574 HydrophobicContact CD2-CB 4.46Å; Y241-I574 HydrophobicContact CD2-CD1 3.7Å; Y241-I574 HydrophobicContact CD2-CG1 4Å; Y241-I574 HydrophobicContact CD2-CG2 3.6Å; Y241-I574 HydrophobicContact CE2-CD1 4.29Å; Y241-I574 HydrophobicContact CE2-CG2 3.95Å; Y241-I574 HydrophobicContact CG-CG2 4.29Å; Y241-F578 HydrophobicContact CD1-CE1 4.43Å; Y241-F578 HydrophobicContact CD1-CE2 4.13Å; Y241-F578 AromaticContact CD1-CZ 3.52Å; Y241-F578 HydrophobicContact CD1-CZ 3.52Å; Y241-F578 HydrophobicContact CD2-CE2 4.44Å; Y241-F578 AromaticContact CE1-CZ 3.98Å; Y241-F578 HydrophobicContact CE1-CZ 3.98Å; Y241-F578 AromaticContact CG-CE2 3.93Å; Y241-F578 HydrophobicContact CG-CE2 3.93Å; Y241-F578 AromaticContact CG-CZ 3.81Å; Y241-F578 HydrophobicContact CG-CZ 3.81Å
242L96.8Very high94.5Very high104 Ų10466 Ų6655%0.54533%0.332SS..Hα-helixtrans-63-43.2176.5-69.3175.1000111.3V238 I239 A245 S246V238-L242 HydrophobicContact CG1-CD1 4.48Å; V238-L242 WeakPolarHBondContact O-CG 3.47Å; V238-L242 PolarHBondContact O-N 3.39Å; I239-L242 PolarHBondContact O-N 3.23Å; L242-A245 PolarHBondContact O-N 3.29Å; L242-S246 WeakPolarHBondContact O-CB 3.39Å; L242-S246 PolarHBondContact O-N 3.02Å; L242-S246 PolarHBondContact O-OG 2.88Å
243I96.9Very high94.2Very high85 Ų8563.4 Ų63.444%0.43633%0.33SS..Hα-helixtrans-59.7-50.7174.7-67.6168.4000110.4I239 L240 A245 S246 F247I239-I243 HydrophobicContact CG2-CD1 3.98Å; I239-I243 WeakPolarHBondContact O-CG1 3.16Å; I239-I243 PolarHBondContact O-N 3.01Å; L240-I243 PolarHBondContact O-N 3.24Å; I243-A245 VanDerWaalsContact C-N 3.34Å; I243-A245 PolarHBondContact O-N 2.73Å; I243-S246 PolarHBondContact O-N 3.06Å; I243-F247 HydrophobicContact CG2-CD2 3.67Å; I243-F247 HydrophobicContact CG2-CE2 3.67Å; I243-F247 VanDerWaalsContact O-CD2 3.3Å; I243-F247 WeakPolarHBondContact O-CD2 3.42Å; I243-F247 PolarHBondContact O-N 2.97Å
244Y97.6Very high93.9Very high16 Ų1668.3 Ų68.36%0.06335%0.352CS..Hα-helixtrans-55-48.8176.5166.9-93.1000111.7L240 Y241 S246 F247 S248 S466 G470 L474 L569 H570L240-Y244 WeakPolarHBondContact O-CB 3.4Å; L240-Y244 PolarHBondContact O-N 3.25Å; Y241-Y244 HydrophobicContact CD2-CD1 4.31Å; Y241-Y244 HydrophobicContact CE2-CD1 4.3Å; Y241-Y244 PolarHBondContact O-N 3.35Å; Y244-S246 PolarHBondContact O-N 3.33Å; Y244-F247 PolarHBondContact O-N 2.82Å; Y244-S248 VanDerWaalsContact O-CB 3.26Å; Y244-S248 WeakPolarHBondContact O-CB 3.49Å; Y244-S248 PolarHBondContact O-N 2.83Å; Y244-S248 PolarHBondContact O-OG 3.35Å; Y244-S466 PolarHBondContact OH-O 3.37Å; Y244-G470 VanDerWaalsContact OH-CA 3.23Å; Y244-G470 WeakPolarHBondContact OH-CA 3.3Å; Y244-L474 HydrophobicContact CD2-CD1 4.37Å; Y244-L474 HydrophobicContact CE2-CD1 4.06Å; Y244-L569 HydrophobicContact CD2-CD2 3.95Å; Y244-L569 HydrophobicContact CE2-CD2 4.37Å; Y244-L569 HydrophobicContact CG-CD2 4.41Å; Y244-H570 AromaticContact CE1-CE1 3.49Å; Y244-H570 VanDerWaalsContact CE1-CE1 3.49Å; Y244-H570 WeakPolarHBondContact CE1-CE1 3.22Å; Y244-H570 AromaticContact CE1-NE2 3.91Å; Y244-H570 AromaticContact CZ-CE1 3.47Å; Y244-H570 VanDerWaalsContact CZ-CE1 3.47Å; Y244-H570 PolarHBondContact OH-CE1 3.41Å; Y244-H570 VanDerWaalsContact OH-CE1 3.31Å
245A95.9Very high93.3Very high35 Ų3569.3 Ų69.329%0.28936%0.358SS..Hα-helixtrans-64.3-39.9-179.200000111.9Y241 L242 I243 S248 F249Y241-A245 VanDerWaalsContact O-CB 3.29Å; Y241-A245 WeakPolarHBondContact O-CB 3.36Å; Y241-A245 PolarHBondContact O-N 3.44Å; L242-A245 PolarHBondContact O-N 3.29Å; I243-A245 VanDerWaalsContact C-N 3.34Å; I243-A245 PolarHBondContact O-N 2.73Å; A245-S248 PolarHBondContact O-N 3.27Å; A245-F249 VanDerWaalsContact O-CB 3.29Å; A245-F249 WeakPolarHBondContact O-CB 3.42Å; A245-F249 PolarHBondContact O-N 3.38Å
246S96.4Very high92.1Very high79 Ų7968.4 Ų68.455%0.55235%0.354SS*.Hα-helixtrans-63.8-47.5176.6-65.40000112.4L242 I243 Y244 F249 M250L242-S246 WeakPolarHBondContact O-CB 3.39Å; L242-S246 PolarHBondContact O-N 3.02Å; L242-S246 PolarHBondContact O-OG 2.88Å; I243-S246 PolarHBondContact O-N 3.06Å; Y244-S246 PolarHBondContact O-N 3.33Å; S246-F249 PolarHBondContact O-N 3.08Å; S246-M250 WeakPolarHBondContact O-CB 3.35Å; S246-M250 PolarHBondContact O-N 3.04Å
247F95.7Very high90.6Very high103 Ų10363.6 Ų63.645%0.45234%0.335SS..Hα-helixtrans-64.9-42.4176.5-81.7-70.1000111.9I243 Y244 F249 M250 G251 L474 L477I243-F247 HydrophobicContact CG2-CD2 3.67Å; I243-F247 HydrophobicContact CG2-CE2 3.67Å; I243-F247 VanDerWaalsContact O-CD2 3.3Å; I243-F247 WeakPolarHBondContact O-CD2 3.42Å; I243-F247 PolarHBondContact O-N 2.97Å; Y244-F247 PolarHBondContact O-N 2.82Å; F247-F249 PolarHBondContact O-N 3.13Å; F247-M250 HydrophobicContact CD1-CE 3.72Å; F247-M250 HydrophobicContact CE1-CE 4.05Å; F247-M250 PolarHBondContact O-N 3Å; F247-G251 PolarHBondContact O-N 3.36Å; F247-L474 HydrophobicContact CB-CD2 4.22Å; F247-L477 HydrophobicContact CB-CD1 4.16Å; F247-L477 HydrophobicContact CD1-CD1 4.02Å; F247-L477 WeakPolarHBondContact O-CD1 3.4Å
248S94.5Very high88.8Confident5 Ų563.8 Ų63.84%0.03534%0.338CS..Hα-helixtrans-58.1-49.2176.1-58.60000111Y244 A245 G251 C252 G470 G473Y244-S248 VanDerWaalsContact O-CB 3.26Å; Y244-S248 WeakPolarHBondContact O-CB 3.49Å; Y244-S248 PolarHBondContact O-N 2.83Å; Y244-S248 PolarHBondContact O-OG 3.35Å; A245-S248 PolarHBondContact O-N 3.27Å; S248-G251 PolarHBondContact O-N 3.22Å; S248-C252 PolarHBondContact O-N 3.21Å; S248-C252 PolarHBondContact O-SG 2.97Å; S248-G470 WeakPolarHBondContact OG-CA 3.35Å; S248-G473 WeakPolarHBondContact O-CA 3.35Å
249F91.7Very high87.1Confident138 Ų13863.3 Ų63.361%0.60534%0.336SS*.Hα-helixtrans-64.4-43.7178.6-173.3-103.6000112.5A245 S246 F247 G251 C252 L253A245-F249 VanDerWaalsContact O-CB 3.29Å; A245-F249 WeakPolarHBondContact O-CB 3.42Å; A245-F249 PolarHBondContact O-N 3.38Å; S246-F249 PolarHBondContact O-N 3.08Å; F247-F249 PolarHBondContact O-N 3.13Å; F249-G251 VanDerWaalsContact C-N 3.3Å; F249-G251 PolarHBondContact O-N 2.77Å; F249-C252 PolarHBondContact O-N 2.97Å; F249-L253 HydrophobicContact CD1-CD1 4.03Å; F249-L253 HydrophobicContact CD1-CG 4.46Å; F249-L253 HydrophobicContact CE1-CD1 3.61Å; F249-L253 HydrophobicContact CE1-CD2 4.49Å; F249-L253 HydrophobicContact CE1-CG 4.16Å; F249-L253 HydrophobicContact CZ-CD1 4.21Å; F249-L253 HydrophobicContact CZ-CD2 4.28Å; F249-L253 HydrophobicContact CZ-CG 4.38Å; F249-L253 WeakPolarHBondContact O-CG 3.44Å; F249-L253 PolarHBondContact O-N 3.5Å; F249-L253 VanDerWaalsContact O-N 3.1Å
250M94.3Very high85.6Confident78 Ų7860.7 Ų60.738%0.38432%0.324SS..Hα-helixtrans-57.6-43.9175.1-177.1-179.377.800111.6S246 F247 L253 Q254 L477S246-M250 WeakPolarHBondContact O-CB 3.35Å; S246-M250 PolarHBondContact O-N 3.04Å; F247-M250 HydrophobicContact CD1-CE 3.72Å; F247-M250 HydrophobicContact CE1-CE 4.05Å; F247-M250 PolarHBondContact O-N 3Å; M250-L253 PolarHBondContact O-N 3.03Å; M250-Q254 PolarHBondContact O-N 3.1Å; M250-L477 HydrophobicContact CE-CD1 3.83Å; M250-L477 HydrophobicContact CE-CD2 3.55Å; M250-L477 HydrophobicContact CE-CG 4.37Å
251G89.8Confident84.1Confident0 Ų060.7 Ų60.70%032%0.323CS..Hα-helixtrans-64.9-40175.900000113.3F247 S248 F249 L253 Q254 I255 G473 T476F247-G251 PolarHBondContact O-N 3.36Å; S248-G251 PolarHBondContact O-N 3.22Å; F249-G251 VanDerWaalsContact C-N 3.3Å; F249-G251 PolarHBondContact O-N 2.77Å; G251-L253 PolarHBondContact O-N 3.49Å; G251-Q254 CarbonylContact O-C 3.56Å; G251-Q254 PolarHBondContact O-N 3.3Å; G251-I255 PolarHBondContact O-N 2.87Å; G251-G473 WeakPolarHBondContact CA-O 3.49Å; G251-T476 VanDerWaalsContact CA-OG1 3.23Å; G251-T476 WeakPolarHBondContact CA-OG1 3.42Å; G251-T476 PolarHBondContact O-OG1 3.49Å
252C86.4Confident82.8Confident28 Ų2859.4 Ų59.419%0.18932%0.32CS..Hα-helixtrans-62.6-30.2175.6-70.30000112.8S248 F249 Q254 I255 L469S248-C252 PolarHBondContact O-N 3.21Å; S248-C252 PolarHBondContact O-SG 2.97Å; F249-C252 PolarHBondContact O-N 2.97Å; C252-Q254 VanDerWaalsContact C-N 3.28Å; C252-I255 VanDerWaalsContact O-CD1 3.23Å; C252-I255 WeakPolarHBondContact O-CD1 3.31Å; C252-I255 WeakPolarHBondContact O-CG1 3.47Å; C252-L469 PolarHBondContact SG-O 2.99Å
253L87Confident81.5Confident125 Ų12557.2 Ų57.265%0.65431%0.309SS*.Hα-helixtrans-75.3-17.2174.3-65.6177000113.2F249 M250 G251F249-L253 HydrophobicContact CD1-CD1 4.03Å; F249-L253 HydrophobicContact CD1-CG 4.46Å; F249-L253 HydrophobicContact CE1-CD1 3.61Å; F249-L253 HydrophobicContact CE1-CD2 4.49Å; F249-L253 HydrophobicContact CE1-CG 4.16Å; F249-L253 HydrophobicContact CZ-CD1 4.21Å; F249-L253 HydrophobicContact CZ-CD2 4.28Å; F249-L253 HydrophobicContact CZ-CG 4.38Å; F249-L253 WeakPolarHBondContact O-CG 3.44Å; F249-L253 PolarHBondContact O-N 3.5Å; F249-L253 VanDerWaalsContact O-N 3.1Å; M250-L253 PolarHBondContact O-N 3.03Å; G251-L253 PolarHBondContact O-N 3.49Å
254Q86.3Confident80.1Confident120 Ų12058.3 Ų58.356%0.56132%0.315SS*.THydrogen-bonded Turntrans-112.227-175.7-64.3-179.4-2.400112.4M250 G251 C252 S256M250-Q254 PolarHBondContact O-N 3.1Å; G251-Q254 CarbonylContact O-C 3.56Å; G251-Q254 PolarHBondContact O-N 3.3Å; C252-Q254 VanDerWaalsContact C-N 3.28Å; Q254-S256 PolarHBondContact O-N 3.28Å; Q254-S256 VanDerWaalsContact O-N 3.09Å
255I79.6Confident78.8Confident57 Ų5760.6 Ų60.629%0.29233%0.328SS..  trans-58.1119.7176.4-67.3164.1000108.8G251 C252 L472 T476 M482G251-I255 PolarHBondContact O-N 2.87Å; C252-I255 VanDerWaalsContact O-CD1 3.23Å; C252-I255 WeakPolarHBondContact O-CD1 3.31Å; C252-I255 WeakPolarHBondContact O-CG1 3.47Å; I255-L472 HydrophobicContact CD1-CD1 4.31Å; I255-L472 HydrophobicContact CD1-CD2 4.18Å; I255-L472 HydrophobicContact CD1-CG 4.31Å; I255-T476 HydrophobicContact CB-CG2 4.3Å; I255-T476 HydrophobicContact CG1-CG2 3.82Å; I255-M482 HydrophobicContact CG2-CG 3.57Å
256S68.4Low77.6Confident52 Ų5261.4 Ų61.436%0.36434%0.335SS..  trans-106.7142.9175.957.80000110.6Q254 G258 G481 M482Q254-S256 PolarHBondContact O-N 3.28Å; Q254-S256 VanDerWaalsContact O-N 3.09Å; S256-G258 PolarHBondContact O-N 2.87Å; S256-G481 WeakPolarHBondContact O-CA 3.08Å; S256-M482 PolarHBondContact O-N 3.13Å; S256-M482 VanDerWaalsContact O-N 3.12Å
257D64.9Low76.5Confident47 Ų4759.3 Ų59.325%0.25132%0.32SS..BIsolated β-bridgetrans-72116.5177-80.7-43.6000111.1S259 Y425 V429D257-S259 VanDerWaalsContact C-N 3.32Å; D257-Y425 HydrophobicContact CB-CD2 4.39Å; D257-Y425 HydrophobicContact CB-CE2 3.5Å; D257-Y425 VanDerWaalsContact CB-CE2 3.5Å; D257-Y425 PolarHBondContact OD2-OH 3.43Å; D257-V429 WeakPolarHBondContact OD1-CG2 3.2Å; D257-V429 VanDerWaalsContact OD2-CG2 3.25Å; D257-V429 WeakPolarHBondContact OD2-CG2 3.44Å
258G57.9Low75.5Confident10 Ų1061 Ų6110%0.10333%0.333CS..  trans-85.1-0.3-179.300000114.7S256 N260 N263 M482S256-G258 PolarHBondContact O-N 2.87Å; G258-N260 PolarHBondContact O-N 3.1Å; G258-N263 PolarHBondContact O-ND2 3.28Å; G258-N263 VanDerWaalsContact O-ND2 3.15Å; G258-M482 WeakPolarHBondContact CA-O 3.28Å; G258-M482 PolarHBondContact N-O 2.94Å
259S59.3Low74.9Confident36 Ų3662 Ų6225%0.25234%0.34SS..  trans-75.733.6-167.656.70000114.8D257 I261 Y425D257-S259 VanDerWaalsContact C-N 3.32Å; S259-I261 PolarHBondContact O-N 2.98Å; S259-Y425 WeakPolarHBondContact OG-CD2 3.12Å
260N64.6Low74.7Confident40 Ų4060.7 Ų60.721%0.21435%0.346CS..  trans-71.3123168.9-160.5-4.2000109.8G258 V262 N263 R391G258-N260 PolarHBondContact O-N 3.1Å; N260-V262 PolarHBondContact O-N 3.48Å; N260-V262 VanDerWaalsContact O-N 3.09Å; N260-N263 VanDerWaalsContact O-CB 3.29Å; N260-N263 WeakPolarHBondContact O-CB 3.36Å; N260-N263 PolarHBondContact O-N 3.33Å; N260-R391 VanDerWaalsContact CG-NH2 3.32Å; N260-R391 PolarHBondContact OD1-NH2 2.82Å
261I66.2Low74.2Confident72 Ų7260.1 Ų60.137%0.36935%0.35SS..G310 helixtrans-55.2-31.9177.4-58.1170.1000110.7S259 N263 L264 F421S259-I261 PolarHBondContact O-N 2.98Å; I261-N263 PolarHBondContact O-N 3.08Å; I261-L264 WeakPolarHBondContact O-CB 3.47Å; I261-L264 PolarHBondContact O-N 2.83Å; I261-F421 HydrophobicContact CD1-CB 3.56Å; I261-F421 HydrophobicContact CD1-CD1 3.84Å; I261-F421 HydrophobicContact CD1-CD2 3.82Å; I261-F421 HydrophobicContact CD1-CE1 4.49Å; I261-F421 HydrophobicContact CD1-CE2 4.47Å; I261-F421 HydrophobicContact CD1-CG 3.46Å; I261-F421 VanDerWaalsContact CD1-CG 3.46Å; I261-F421 HydrophobicContact CG1-CB 4.18Å; I261-F421 HydrophobicContact CG1-CD1 4.11Å; I261-F421 HydrophobicContact CG1-CG 4.17Å
262V69.1Low73.8Confident17 Ų1761.4 Ų61.410%0.10336%0.357CS..G310 helixtrans-59.9-29.4176.7-173.40000112.2N260 L264 L265 V272 A275 V276N260-V262 PolarHBondContact O-N 3.48Å; N260-V262 VanDerWaalsContact O-N 3.09Å; V262-L264 PolarHBondContact O-N 3.17Å; V262-L265 WeakPolarHBondContact O-CB 3.38Å; V262-L265 PolarHBondContact O-N 3.41Å; V262-V272 HydrophobicContact CG1-CB 4.14Å; V262-V272 HydrophobicContact CG1-CG1 3.76Å; V262-V272 HydrophobicContact CG1-CG2 3.93Å; V262-A275 HydrophobicContact CG1-CB 4.4Å; V262-A275 HydrophobicContact CG2-CB 3.6Å; V262-V276 HydrophobicContact CG1-CG2 4.39Å
263N68.6Low73.8Confident59 Ų5963.7 Ų63.732%0.31637%0.374SS..G310 helixtrans-73.2-12.1178-65.5-18.8000113.3G258 N260 I261 L265 N551G258-N263 PolarHBondContact O-ND2 3.28Å; G258-N263 VanDerWaalsContact O-ND2 3.15Å; N260-N263 VanDerWaalsContact O-CB 3.29Å; N260-N263 WeakPolarHBondContact O-CB 3.36Å; N260-N263 PolarHBondContact O-N 3.33Å; I261-N263 PolarHBondContact O-N 3.08Å; N263-L265 VanDerWaalsContact C-N 3.33Å; N263-N551 HydrophobicContact CB-CB 4.44Å; N263-N551 WeakPolarHBondContact O-CB 3.36Å; N263-N551 PolarHBondContact OD1-ND2 2.93Å
264L69Low73.8Confident107 Ų10765 Ų6556%0.5637%0.371SS*.G310 helixtrans-81.2-17.2173.4-61.9172.3000112.4I261 V262I261-L264 WeakPolarHBondContact O-CB 3.47Å; I261-L264 PolarHBondContact O-N 2.83Å; V262-L264 PolarHBondContact O-N 3.17Å
265L70.1Confident73.5Confident64 Ų6460.4 Ų60.434%0.33535%0.353SS..SBendtrans-84.9154.5-179.4-60.5170.6000110.4V262 N263 S267 V272V262-L265 WeakPolarHBondContact O-CB 3.38Å; V262-L265 PolarHBondContact O-N 3.41Å; N263-L265 VanDerWaalsContact C-N 3.33Å; L265-S267 PolarHBondContact O-N 3.09Å; L265-V272 HydrophobicContact CB-CG2 3.57Å; L265-V272 HydrophobicContact CD1-CG2 4.11Å; L265-V272 HydrophobicContact CG-CG2 4.5Å
266A70.8Confident73.6Confident53 Ų5361.4 Ų61.444%0.43836%0.362SS..BIsolated β-bridgetrans-60.1133.4171.700000109.7N268 S269 V272A266-N268 PolarHBondContact O-N 3.1Å; A266-N268 VanDerWaalsContact O-N 3.11Å; A266-S269 WeakPolarHBondContact O-CB 3.42Å; A266-S269 PolarHBondContact O-N 2.8Å; A266-S269 PolarHBondContact O-OG 2.87Å; A266-V272 WeakPolarHBondContact O-CG2 3.47Å
267S71.4Confident74.4Confident34 Ų3461.8 Ų61.824%0.23836%0.363CS..THydrogen-bonded Turntrans-58.9-31.6-169.153.70000112.9L265 P549L265-S267 PolarHBondContact O-N 3.09Å; S267-P549 PolarHBondContact N-O 3.22Å; S267-P549 PolarHBondContact OG-O 3.19Å
268N76.4Confident75.3Confident138 Ų13863.9 Ų63.974%0.73837%0.371SS*.THydrogen-bonded Turntrans-9617.4-178.4-63.5-8.6000113.7A266A266-N268 PolarHBondContact O-N 3.1Å; A266-N268 VanDerWaalsContact O-N 3.11Å
269S82.2Confident76.2Confident26 Ų2667 Ų6718%0.18238%0.383CS..  trans-85.1144.4-177.565.70000113A266 S271 V272 S273A266-S269 WeakPolarHBondContact O-CB 3.42Å; A266-S269 PolarHBondContact O-N 2.8Å; A266-S269 PolarHBondContact O-OG 2.87Å; S269-S271 PolarHBondContact O-N 3.42Å; S269-S271 VanDerWaalsContact O-N 3.16Å; S269-V272 PolarHBondContact O-N 3.41Å; S269-V272 WeakPolarHBondContact OG-CG2 3.22Å; S269-V272 PolarHBondContact OG-N 3.43Å; S269-S273 PolarHBondContact O-N 3.09Å
270P85.8Confident77.2Confident111 Ų11171.6 Ų71.672%0.72140%0.398SS*.Hα-helixtrans-55.6-31.1171.8-25.734.5000112.9V272 S273 Y274P270-V272 VanDerWaalsContact C-N 3.32Å; P270-V272 PolarHBondContact O-N 3.41Å; P270-S273 PolarHBondContact O-N 3.46Å; P270-Y274 WeakPolarHBondContact O-CB 3.08Å; P270-Y274 PolarHBondContact O-N 2.86Å
271S84.2Confident78Confident67 Ų6776.5 Ų76.547%0.46941%0.414SS..Hα-helixtrans-61.6-36.6176.8-520000112.9S269 A275S269-S271 PolarHBondContact O-N 3.42Å; S269-S271 VanDerWaalsContact O-N 3.16Å; S271-A275 VanDerWaalsContact O-CB 3.32Å; S271-A275 WeakPolarHBondContact O-CB 3.46Å; S271-A275 PolarHBondContact O-N 2.96Å
272V82.4Confident78.6Confident26 Ų2680.5 Ų80.516%0.15843%0.43CS..Hα-helixtrans-65.8-47.2173.81690000110.2V262 L265 A266 S269 P270 Y274 A275 V276V262-V272 HydrophobicContact CG1-CB 4.14Å; V262-V272 HydrophobicContact CG1-CG1 3.76Å; V262-V272 HydrophobicContact CG1-CG2 3.93Å; L265-V272 HydrophobicContact CB-CG2 3.57Å; L265-V272 HydrophobicContact CD1-CG2 4.11Å; L265-V272 HydrophobicContact CG-CG2 4.5Å; A266-V272 WeakPolarHBondContact O-CG2 3.47Å; S269-V272 PolarHBondContact O-N 3.41Å; S269-V272 WeakPolarHBondContact OG-CG2 3.22Å; S269-V272 PolarHBondContact OG-N 3.43Å; P270-V272 VanDerWaalsContact C-N 3.32Å; P270-V272 PolarHBondContact O-N 3.41Å; V272-Y274 VanDerWaalsContact C-N 3.34Å; V272-Y274 PolarHBondContact O-N 3.08Å; V272-A275 PolarHBondContact O-N 3.45Å; V272-V276 HydrophobicContact CG1-CG2 4.29Å; V272-V276 WeakPolarHBondContact O-CB 3.33Å; V272-V276 VanDerWaalsContact O-CG2 3.28Å; V272-V276 WeakPolarHBondContact O-CG2 3.25Å; V272-V276 PolarHBondContact O-N 3.5Å
273S85Confident78.8Confident76 Ų7680.3 Ų80.353%0.53143%0.429SS..Hα-helixtrans-61-42.7177.9-179.50000112.1S269 P270 T277S269-S273 PolarHBondContact O-N 3.09Å; P270-S273 PolarHBondContact O-N 3.46Å; S273-T277 VanDerWaalsContact O-CB 3.28Å; S273-T277 WeakPolarHBondContact O-CB 3.45Å; S273-T277 PolarHBondContact O-N 2.94Å; S273-T277 PolarHBondContact O-OG1 3.4Å
274Y86.6Confident79.2Confident153 Ų15382.2 Ų82.260%0.644%0.439SS*.Hα-helixtrans-59.7-50.5173.9172.5-96.2000111.4P270 V272 V276 T277 Q278P270-Y274 WeakPolarHBondContact O-CB 3.08Å; P270-Y274 PolarHBondContact O-N 2.86Å; V272-Y274 VanDerWaalsContact C-N 3.34Å; V272-Y274 PolarHBondContact O-N 3.08Å; Y274-V276 PolarHBondContact O-N 3.42Å; Y274-T277 PolarHBondContact O-N 3.41Å; Y274-Q278 VanDerWaalsContact O-CB 3.32Å; Y274-Q278 WeakPolarHBondContact O-CB 3.48Å; Y274-Q278 PolarHBondContact O-N 3.38Å; Y274-Q278 PolarHBondContact OH-OE1 2.94Å
275A80.3Confident79.5Confident23 Ų2383.1 Ų83.119%0.1944%0.436CS..Hα-helixtrans-64.3-40.3-17800000112.7V262 S271 V272 Q278 Q279V262-A275 HydrophobicContact CG1-CB 4.4Å; V262-A275 HydrophobicContact CG2-CB 3.6Å; S271-A275 VanDerWaalsContact O-CB 3.32Å; S271-A275 WeakPolarHBondContact O-CB 3.46Å; S271-A275 PolarHBondContact O-N 2.96Å; V272-A275 PolarHBondContact O-N 3.45Å; A275-Q278 PolarHBondContact O-N 2.98Å; A275-Q279 WeakPolarHBondContact O-CB 3.44Å; A275-Q279 PolarHBondContact O-N 3.21Å
276V82.1Confident79.8Confident78 Ų7880.4 Ų80.447%0.47342%0.422SS..Hα-helixtrans-65.4-44.4175.9171.90000110.7V262 V272 Y274 Q279 K280V262-V276 HydrophobicContact CG1-CG2 4.39Å; V272-V276 HydrophobicContact CG1-CG2 4.29Å; V272-V276 WeakPolarHBondContact O-CB 3.33Å; V272-V276 VanDerWaalsContact O-CG2 3.28Å; V272-V276 WeakPolarHBondContact O-CG2 3.25Å; V272-V276 PolarHBondContact O-N 3.5Å; Y274-V276 PolarHBondContact O-N 3.42Å; V276-Q279 PolarHBondContact O-N 3.37Å; V276-K280 VanDerWaalsContact O-CB 3.27Å; V276-K280 WeakPolarHBondContact O-CB 3.38Å; V276-K280 PolarHBondContact O-N 2.9Å
277T85.6Confident80.3Confident61 Ų6179.8 Ų79.837%0.37441%0.414SS..Hα-helixtrans-62.4-45.2176.2-59.40000110.9S273 Y274 Q279 K280 Y281S273-T277 VanDerWaalsContact O-CB 3.28Å; S273-T277 WeakPolarHBondContact O-CB 3.45Å; S273-T277 PolarHBondContact O-N 2.94Å; S273-T277 PolarHBondContact O-OG1 3.4Å; Y274-T277 PolarHBondContact O-N 3.41Å; T277-Q279 PolarHBondContact O-N 3.49Å; T277-K280 PolarHBondContact O-N 3.33Å; T277-Y281 HydrophobicContact CG2-CD2 3.77Å; T277-Y281 HydrophobicContact CG2-CE2 4.19Å; T277-Y281 WeakPolarHBondContact O-CD2 3.4Å; T277-Y281 PolarHBondContact O-N 3Å
278Q83.3Confident81.1Confident91 Ų9181.4 Ų81.443%0.42542%0.422SS..Hα-helixtrans-60-45.8176.8-171.7177.50.200111.4Y274 A275 K280 F282Y274-Q278 VanDerWaalsContact O-CB 3.32Å; Y274-Q278 WeakPolarHBondContact O-CB 3.48Å; Y274-Q278 PolarHBondContact O-N 3.38Å; Y274-Q278 PolarHBondContact OH-OE1 2.94Å; A275-Q278 PolarHBondContact O-N 2.98Å; Q278-K280 VanDerWaalsContact C-N 3.34Å; Q278-K280 PolarHBondContact O-N 2.84Å; Q278-F282 HydrophobicContact CG-CB 4.33Å; Q278-F282 CarbonylContact O-C 3.59Å; Q278-F282 WeakPolarHBondContact O-CA 3.46Å; Q278-F282 WeakPolarHBondContact O-CB 3.26Å; Q278-F282 PolarHBondContact O-N 3.3Å
279Q76.6Confident81.8Confident75 Ų7574.9 Ų74.935%0.3539%0.387SS..Hα-helixtrans-69-31177.5-172.8176.4-5.800112.8A275 V276 T277 S283 K390A275-Q279 WeakPolarHBondContact O-CB 3.44Å; A275-Q279 PolarHBondContact O-N 3.21Å; V276-Q279 PolarHBondContact O-N 3.37Å; T277-Q279 PolarHBondContact O-N 3.49Å; Q279-S283 WeakPolarHBondContact O-CB 3.44Å; Q279-S283 PolarHBondContact O-OG 2.68Å; Q279-K390 PolarHBondContact O-NZ 3.38Å
280K80Confident82.2Confident132 Ų13273.7 Ų73.757%0.57438%0.379SS*.Hα-helixtrans-73.9-47.2179.8-172173.9-179.4-175.80111.7V276 T277 Q278 K390V276-K280 VanDerWaalsContact O-CB 3.27Å; V276-K280 WeakPolarHBondContact O-CB 3.38Å; V276-K280 PolarHBondContact O-N 2.9Å; T277-K280 PolarHBondContact O-N 3.33Å; Q278-K280 VanDerWaalsContact C-N 3.34Å; Q278-K280 PolarHBondContact O-N 2.84Å; K280-K390 PolarHBondContact O-NZ 3.26Å
281Y82.5Confident82.5Confident143 Ų14368.5 Ų68.556%0.56135%0.345SS*.Hα-helixtrans-103.5-26.2-169.6-64.1-77000114.8T277T277-Y281 HydrophobicContact CG2-CD2 3.77Å; T277-Y281 HydrophobicContact CG2-CE2 4.19Å; T277-Y281 WeakPolarHBondContact O-CD2 3.4Å; T277-Y281 PolarHBondContact O-N 3Å
282F78.9Confident82.9Confident157 Ų15768.9 Ų68.969%0.68934%0.337SS*.SBendtrans-117.830.7-170-62.6-83.9000113.8Q278Q278-F282 HydrophobicContact CG-CB 4.33Å; Q278-F282 CarbonylContact O-C 3.59Å; Q278-F282 WeakPolarHBondContact O-CA 3.46Å; Q278-F282 WeakPolarHBondContact O-CB 3.26Å; Q278-F282 PolarHBondContact O-N 3.3Å
283S73.1Confident83.4Confident13 Ų1367.9 Ų67.99%0.09133%0.33CS..  trans-107.711.7-173.3600000114.6Q279 Y285 T386 K390Q279-S283 WeakPolarHBondContact O-CB 3.44Å; Q279-S283 PolarHBondContact O-OG 2.68Å; S283-Y285 PolarHBondContact O-N 3.26Å; S283-T386 PolarHBondContact O-OG1 2.78Å; S283-K390 VanDerWaalsContact CB-CD 3.47Å; S283-K390 WeakPolarHBondContact OG-CD 3.37Å; S283-K390 WeakPolarHBondContact OG-CE 3.21Å; S283-K390 PolarHBondContact OG-NZ 3.2Å
284N76Confident83.6Confident98 Ų9869.4 Ų69.452%0.52433%0.325SS..SBendtrans-75.1-5.3-179.1-63.4-11.4000112.6T386N284-T386 PolarHBondContact O-N 3.02Å; N284-T386 VanDerWaalsContact O-N 3.14Å; N284-T386 PolarHBondContact O-OG1 3.38Å
285Y76.4Confident83.7Confident127 Ų12765.1 Ų65.150%0.49831%0.311SS..BIsolated β-bridgetrans-129.7148.3177.9-65.6-74.4000109.4S283 V383 A384 T386S283-Y285 PolarHBondContact O-N 3.26Å; Y285-V383 HydrophobicContact CD1-CG1 3.83Å; Y285-V383 HydrophobicContact CG-CG1 4.1Å; Y285-A384 WeakPolarHBondContact CA-O 3.2Å; Y285-T386 PolarHBondContact N-OG1 2.68Å
286S77.3Confident84.1Confident7 Ų768.6 Ų68.65%0.04933%0.332CS..  trans-61.9160167.574.10000110.3A384S286-A384 PolarHBondContact N-O 3.41Å; S286-A384 PolarHBondContact OG-N 3.45Å
287P81.2Confident84.4Confident39 Ų3966.1 Ų66.125%0.25332%0.315SS..  trans-50148.8159.1-22.733.7000110.2I289 N416P287-I289 WeakPolarHBondContact O-CG1 3.39Å; P287-I289 PolarHBondContact O-N 2.94Å; P287-I289 VanDerWaalsContact O-N 3.1Å; P287-N416 WeakPolarHBondContact CB-ND2 3.47Å
288V87.6Confident84.6Confident69 Ų6968.1 Ų68.142%0.41832%0.32SS..  trans-65.7111.6178.7-177.50000109.2Y381 V383 N416V288-Y381 HydrophobicContact CG1-CD1 3.58Å; V288-Y381 HydrophobicContact CG1-CE1 4.46Å; V288-Y381 HydrophobicContact CG1-CG 3.86Å; V288-V383 HydrophobicContact CB-CG2 4.43Å; V288-V383 HydrophobicContact CG1-CG2 4.29Å; V288-V383 HydrophobicContact CG2-CG2 4.06Å; V288-N416 PolarHBondContact O-ND2 3.18Å
289I90Very high84.9Confident0 Ų063.8 Ų63.80%030%0.3CS..EExtended strand (participates in β ladder)trans-90119.1-176.8-49.3175.8000108P287 F291 Y381 L382 L397 L401 A414 F419P287-I289 WeakPolarHBondContact O-CG1 3.39Å; P287-I289 PolarHBondContact O-N 2.94Å; P287-I289 VanDerWaalsContact O-N 3.1Å; I289-F291 HydrophobicContact CB-CD2 4.35Å; I289-F291 HydrophobicContact CB-CE2 4.03Å; I289-F291 HydrophobicContact CG2-CD2 3.89Å; I289-F291 HydrophobicContact CG2-CE2 3.57Å; I289-Y381 WeakPolarHBondContact O-CA 3.2Å; I289-L382 WeakPolarHBondContact CB-O 3.47Å; I289-L382 PolarHBondContact N-O 3.32Å; I289-L382 PolarHBondContact O-N 3.41Å; I289-L397 HydrophobicContact CD1-CD2 3.65Å; I289-L401 HydrophobicContact CD1-CD1 4.36Å; I289-A414 HydrophobicContact CG2-CB 4Å; I289-F419 HydrophobicContact CB-CZ 4.47Å; I289-F419 HydrophobicContact CD1-CZ 3.85Å; I289-F419 HydrophobicContact CG1-CZ 3.78Å; I289-F419 HydrophobicContact CG2-CE2 3.89Å; I289-F419 HydrophobicContact CG2-CZ 3.98Å
290G91.3Very high85.5Confident1 Ų162.7 Ų62.71%0.0129%0.293CS..EExtended strand (participates in β ladder)trans-79.1122.417000000109.9Y292 A414 F415G290-Y292 VanDerWaalsContact O-CD2 3.26Å; G290-Y292 WeakPolarHBondContact O-CD2 3.49Å; G290-Y292 WeakPolarHBondContact O-CE2 3.23Å; G290-A414 CarbonylContact O-C 3.52Å; G290-A414 WeakPolarHBondContact O-CA 3.27Å; G290-F415 PolarHBondContact N-O 3.14Å; G290-F415 PolarHBondContact O-N 2.77Å
291F91.7Very high85.9Confident2 Ų259.1 Ų59.11%0.00928%0.28CS..EExtended strand (participates in β ladder)trans-97.9104.8170.1-83.9-117.4000107.6I289 L311 R379 M380 L382 L401 F412 A414I289-F291 HydrophobicContact CB-CD2 4.35Å; I289-F291 HydrophobicContact CB-CE2 4.03Å; I289-F291 HydrophobicContact CG2-CD2 3.89Å; I289-F291 HydrophobicContact CG2-CE2 3.57Å; F291-L311 HydrophobicContact CD1-CD2 3.77Å; F291-L311 HydrophobicContact CE1-CD2 3.94Å; F291-L311 HydrophobicContact CE1-CG 4.36Å; F291-R379 CarbonylContact O-C 3.47Å; F291-R379 VanDerWaalsContact O-CA 3.22Å; F291-R379 WeakPolarHBondContact O-CA 3.09Å; F291-M380 HydrophobicContact CB-CG 3.73Å; F291-M380 PolarHBondContact N-O 3.47Å; F291-M380 PolarHBondContact O-N 3.48Å; F291-L382 HydrophobicContact CD1-CD1 3.89Å; F291-L382 HydrophobicContact CD2-CB 3.88Å; F291-L382 HydrophobicContact CD2-CD1 3.57Å; F291-L382 HydrophobicContact CD2-CG 3.67Å; F291-L382 HydrophobicContact CE1-CD1 3.82Å; F291-L382 HydrophobicContact CE2-CB 3.81Å; F291-L382 HydrophobicContact CE2-CD1 3.53Å; F291-L382 HydrophobicContact CE2-CG 3.93Å; F291-L382 HydrophobicContact CG-CD1 3.77Å; F291-L382 HydrophobicContact CG-CG 4.11Å; F291-L382 HydrophobicContact CZ-CD1 3.65Å; F291-L401 HydrophobicContact CE1-CD2 4.22Å; F291-L401 HydrophobicContact CE2-CD1 4.46Å; F291-L401 HydrophobicContact CZ-CD1 4Å; F291-L401 HydrophobicContact CZ-CD2 3.75Å; F291-F412 AromaticContact CD1-CD2 3.58Å; F291-F412 HydrophobicContact CD1-CD2 3.58Å; F291-F412 AromaticContact CD1-CE2 3.62Å; F291-F412 HydrophobicContact CD1-CE2 3.62Å; F291-F412 HydrophobicContact CD1-CG 4.44Å; F291-F412 AromaticContact CE1-CD2 3.94Å; F291-F412 HydrophobicContact CE1-CD2 3.94Å; F291-F412 AromaticContact CE1-CE2 3.46Å; F291-F412 HydrophobicContact CE1-CE2 3.46Å; F291-F412 VanDerWaalsContact CE1-CE2 3.46Å; F291-F412 HydrophobicContact CE1-CZ 4.18Å; F291-F412 HydrophobicContact CG-CD2 4.43Å; F291-F412 HydrophobicContact CZ-CE2 4.44Å; F291-A414 HydrophobicContact CE2-CB 4.19Å; F291-A414 HydrophobicContact CZ-CB 4.21Å
292Y92.6Very high86.1Confident76 Ų7656.2 Ų56.230%0.29828%0.281SS..EExtended strand (participates in β ladder)trans-99.2107.4-176.1-60.2-90.7000109.2G290 R379 F412 I413 F415G290-Y292 VanDerWaalsContact O-CD2 3.26Å; G290-Y292 WeakPolarHBondContact O-CD2 3.49Å; G290-Y292 WeakPolarHBondContact O-CE2 3.23Å; Y292-R379 HydrophobicContact CD1-CB 3.75Å; Y292-R379 HydrophobicContact CE1-CB 4.01Å; Y292-R379 HydrophobicContact CG-CB 4.42Å; Y292-F412 CarbonylContact O-C 3.48Å; Y292-F412 WeakPolarHBondContact O-CA 3.35Å; Y292-F412 WeakPolarHBondContact O-CB 3.46Å; Y292-I413 WeakPolarHBondContact CD2-O 3.27Å; Y292-I413 PolarHBondContact N-O 2.74Å; Y292-I413 PolarHBondContact O-N 3.41Å; Y292-F415 HydrophobicContact CD2-CB 4.11Å; Y292-F415 HydrophobicContact CE2-CB 3.81Å; Y292-F415 HydrophobicContact CE2-CD1 4.31Å
293I92.5Very high86.6Confident4 Ų452.2 Ų52.22%0.02127%0.269CS..EExtended strand (participates in β ladder)trans-86.6113.3171.5-58.7168.9000106.1I297 Y299 L308 A377 S378 M380 I410 F412I293-I297 HydrophobicContact CD1-CD1 3.96Å; I293-I297 HydrophobicContact CG2-CD1 3.9Å; I293-I297 HydrophobicContact CG2-CG1 4.19Å; I293-I297 HydrophobicContact CG2-CG2 4.3Å; I293-Y299 HydrophobicContact CD1-CE1 4.45Å; I293-L308 HydrophobicContact CD1-CD2 3.72Å; I293-A377 CarbonylContact O-C 3.49Å; I293-A377 WeakPolarHBondContact O-CA 3.47Å; I293-A377 WeakPolarHBondContact O-CB 3.36Å; I293-S378 PolarHBondContact N-O 3.26Å; I293-S378 PolarHBondContact O-N 3.34Å; I293-M380 HydrophobicContact CD1-CE 4.06Å; I293-I410 HydrophobicContact CD1-CG2 4.39Å; I293-I410 HydrophobicContact CG1-CG2 4.33Å; I293-I410 HydrophobicContact CG2-CG2 4.15Å; I293-F412 HydrophobicContact CG1-CB 4.19Å
294Y90Very high87.3Confident108 Ų10852.7 Ų52.742%0.42427%0.272SS..  trans-108.65.1-171.262.4-92.7000113.2K411 I413Y294-K411 HydrophobicContact CE1-CB 4.07Å; Y294-K411 HydrophobicContact CE2-CB 4.32Å; Y294-I413 HydrophobicContact CD1-CD1 4.06Å; Y294-I413 HydrophobicContact CD1-CG1 3.9Å; Y294-I413 HydrophobicContact CE1-CD1 4.08Å; Y294-I413 HydrophobicContact CE1-CG1 3.71Å
295E88.6Confident87.9Confident63 Ų6349.6 Ų49.629%0.29425%0.254SS..SBendtrans-114.1146.9172.9-66.5-168.9157.700110.2I297 I376 K411E295-I297 PolarHBondContact O-N 3.25Å; E295-I376 CarbonylContact C-O 3.55Å; E295-K411 VanDerWaalsContact CD-CD 3.49Å; E295-K411 HydrophobicContact CG-CB 4.31Å; E295-K411 VanDerWaalsContact OE1-CD 3.29Å; E295-K411 WeakPolarHBondContact OE1-CD 3.5Å; E295-K411 WeakPolarHBondContact OE1-CE 3.5Å; E295-K411 IonicContact OE1-NZ 2.65Å; E295-K411 PolarHBondContact OE1-NZ 3.38Å; E295-K411 VanDerWaalsContact OE2-CD 3.29Å; E295-K411 WeakPolarHBondContact OE2-CD 3.45Å; E295-K411 VanDerWaalsContact OE2-CE 3.28Å; E295-K411 WeakPolarHBondContact OE2-CE 3.5Å; E295-K411 WeakPolarHBondContact OE2-CG 3.47Å; E295-K411 IonicContact OE2-NZ 2.74Å; E295-K411 PolarHBondContact OE2-NZ 3.01Å
296P88.8Confident88.5Confident97 Ų9749.6 Ų49.663%0.6326%0.259SS*.  trans-65.6121175.827-33000109.7I375P296-I375 WeakPolarHBondContact CA-O 3.41Å; P296-I375 WeakPolarHBondContact CB-O 3.4Å
297I88.8Confident88.9Confident26 Ų2653 Ų5313%0.13327%0.273CS..  trans-123.2149.2177.364.1169.9000111.3I293 E295 Y299 V304 L308 I410I293-I297 HydrophobicContact CD1-CD1 3.96Å; I293-I297 HydrophobicContact CG2-CD1 3.9Å; I293-I297 HydrophobicContact CG2-CG1 4.19Å; I293-I297 HydrophobicContact CG2-CG2 4.3Å; E295-I297 PolarHBondContact O-N 3.25Å; I297-Y299 HydrophobicContact CD1-CD1 4.06Å; I297-Y299 HydrophobicContact CD1-CE1 3.43Å; I297-Y299 VanDerWaalsContact CD1-CE1 3.43Å; I297-Y299 HydrophobicContact CD1-CE2 4.13Å; I297-Y299 VanDerWaalsContact CD1-CZ 3.45Å; I297-Y299 WeakPolarHBondContact CD1-OH 3.47Å; I297-Y299 HydrophobicContact CG1-CD1 4.21Å; I297-Y299 HydrophobicContact CG1-CD2 3.96Å; I297-Y299 HydrophobicContact CG1-CE1 3.71Å; I297-Y299 HydrophobicContact CG1-CE2 3.42Å; I297-Y299 VanDerWaalsContact CG1-CE2 3.42Å; I297-Y299 HydrophobicContact CG1-CG 4.31Å; I297-Y299 WeakPolarHBondContact CG1-OH 3.39Å; I297-Y299 VanDerWaalsContact O-CD2 3.23Å; I297-Y299 WeakPolarHBondContact O-CD2 3.43Å; I297-Y299 PolarHBondContact O-N 3.41Å; I297-Y299 VanDerWaalsContact O-N 3.07Å; I297-V304 HydrophobicContact CB-CG1 4.44Å; I297-V304 HydrophobicContact CD1-CG1 3.9Å; I297-V304 HydrophobicContact CG1-CG1 4.48Å; I297-L308 HydrophobicContact CD1-CD1 4.16Å; I297-I410 HydrophobicContact CD1-CG2 4.21Å; I297-I410 HydrophobicContact CG2-CG2 4.48Å
298E89.5Confident89.2Confident102 Ų10251.2 Ų51.248%0.47726%0.262SS..  trans-8381.8-179.1-59.2-171159.100110.7W300 N301E298-W300 HydrophobicContact CB-CD2 4.28Å; E298-W300 HydrophobicContact CB-CH2 4.31Å; E298-W300 HydrophobicContact CB-CZ2 3.72Å; E298-W300 HydrophobicContact CG-CH2 4.24Å; E298-W300 HydrophobicContact CG-CZ2 3.58Å; E298-W300 PolarHBondContact O-N 3.33Å; E298-W300 VanDerWaalsContact O-N 3.09Å; E298-N301 HydrophobicContact CB-CB 4.12Å; E298-N301 WeakPolarHBondContact O-CB 2.99Å; E298-N301 PolarHBondContact O-N 3.22Å
299Y89.2Confident89.2Confident1 Ų152.8 Ų52.80%0.00426%0.263CS..THydrogen-bonded Turntrans-59.1-22.5-178.7-67-82.9000114.1I293 I297 N301 Q305 L308 W320 M321 I375 S378I293-Y299 HydrophobicContact CD1-CE1 4.45Å; I297-Y299 HydrophobicContact CD1-CD1 4.06Å; I297-Y299 HydrophobicContact CD1-CE1 3.43Å; I297-Y299 VanDerWaalsContact CD1-CE1 3.43Å; I297-Y299 HydrophobicContact CD1-CE2 4.13Å; I297-Y299 VanDerWaalsContact CD1-CZ 3.45Å; I297-Y299 WeakPolarHBondContact CD1-OH 3.47Å; I297-Y299 HydrophobicContact CG1-CD1 4.21Å; I297-Y299 HydrophobicContact CG1-CD2 3.96Å; I297-Y299 HydrophobicContact CG1-CE1 3.71Å; I297-Y299 HydrophobicContact CG1-CE2 3.42Å; I297-Y299 VanDerWaalsContact CG1-CE2 3.42Å; I297-Y299 HydrophobicContact CG1-CG 4.31Å; I297-Y299 WeakPolarHBondContact CG1-OH 3.39Å; I297-Y299 VanDerWaalsContact O-CD2 3.23Å; I297-Y299 WeakPolarHBondContact O-CD2 3.43Å; I297-Y299 PolarHBondContact O-N 3.41Å; I297-Y299 VanDerWaalsContact O-N 3.07Å; Y299-N301 VanDerWaalsContact C-N 3.29Å; Y299-N301 PolarHBondContact O-N 2.94Å; Y299-Q305 WeakPolarHBondContact O-CG 3.25Å; Y299-Q305 PolarHBondContact O-NE2 2.84Å; Y299-L308 HydrophobicContact CD1-CD1 4.12Å; Y299-L308 HydrophobicContact CE1-CD1 4.06Å; Y299-W320 AromaticContact CD1-CH2 3.85Å; Y299-W320 HydrophobicContact CD1-CH2 3.85Å; Y299-W320 AromaticContact CD1-CZ2 3.94Å; Y299-W320 HydrophobicContact CD1-CZ2 3.94Å; Y299-W320 HydrophobicContact CD2-CH2 4.15Å; Y299-W320 HydrophobicContact CD2-CZ2 4.43Å; Y299-W320 HydrophobicContact CE1-CH2 4.08Å; Y299-W320 AromaticContact CE1-CZ2 3.68Å; Y299-W320 HydrophobicContact CE1-CZ2 3.68Å; Y299-W320 HydrophobicContact CE2-CH2 4.36Å; Y299-W320 HydrophobicContact CE2-CZ2 4.21Å; Y299-W320 AromaticContact CG-CH2 3.89Å; Y299-W320 HydrophobicContact CG-CH2 3.89Å; Y299-W320 HydrophobicContact CG-CZ2 4.32Å; Y299-W320 AromaticContact CZ-CZ2 3.85Å; Y299-M321 HydrophobicContact CD1-SD 4.21Å; Y299-I375 HydrophobicContact CD2-CB 4.37Å; Y299-I375 HydrophobicContact CD2-CD1 3.69Å; Y299-I375 HydrophobicContact CD2-CG2 4.36Å; Y299-I375 HydrophobicContact CE2-CB 4.03Å; Y299-I375 HydrophobicContact CE2-CD1 4.04Å; Y299-I375 HydrophobicContact CE2-CG2 3.62Å; Y299-S378 PolarHBondContact OH-OG 2.8Å
300W88.9Confident89.1Confident52 Ų5257.4 Ų57.420%0.19729%0.291CS..THydrogen-bonded Turntrans-74.9-14.7175.852.887.2000113.4E298 Q305 K338 F341 I342E298-W300 HydrophobicContact CB-CD2 4.28Å; E298-W300 HydrophobicContact CB-CH2 4.31Å; E298-W300 HydrophobicContact CB-CZ2 3.72Å; E298-W300 HydrophobicContact CG-CH2 4.24Å; E298-W300 HydrophobicContact CG-CZ2 3.58Å; E298-W300 PolarHBondContact O-N 3.33Å; E298-W300 VanDerWaalsContact O-N 3.09Å; W300-Q305 PolarHBondContact O-NE2 2.9Å; W300-K338 HydrophobicContact CD2-CB 4.01Å; W300-K338 HydrophobicContact CD2-CG 4.45Å; W300-K338 HydrophobicContact CE3-CB 4.24Å; W300-K338 HydrophobicContact CE3-CG 4.23Å; W300-K338 HydrophobicContact CH2-CB 4Å; W300-K338 HydrophobicContact CH2-CD 3.72Å; W300-K338 HydrophobicContact CH2-CG 3.48Å; W300-K338 VanDerWaalsContact CH2-CG 3.48Å; W300-K338 HydrophobicContact CZ2-CB 3.73Å; W300-K338 HydrophobicContact CZ2-CD 3.81Å; W300-K338 HydrophobicContact CZ2-CG 3.69Å; W300-K338 HydrophobicContact CZ3-CB 4.24Å; W300-K338 HydrophobicContact CZ3-CD 4.47Å; W300-K338 HydrophobicContact CZ3-CG 3.76Å; W300-F341 HydrophobicContact CB-CB 4.32Å; W300-F341 HydrophobicContact CB-CD2 4.13Å; W300-F341 HydrophobicContact CB-CG 4.3Å; W300-F341 HydrophobicContact CE3-CD1 4.3Å; W300-F341 HydrophobicContact CE3-CG 4.43Å; W300-I342 HydrophobicContact CZ3-CD1 4.22Å
301N90.3Very high88.8Confident57 Ų5758.4 Ų58.431%0.30530%0.296SS..SBendtrans-80.9130.4179.3-170.3-24.6000111.5E298 Y299 T303 V304 Q305E298-N301 HydrophobicContact CB-CB 4.12Å; E298-N301 WeakPolarHBondContact O-CB 2.99Å; E298-N301 PolarHBondContact O-N 3.22Å; Y299-N301 VanDerWaalsContact C-N 3.29Å; Y299-N301 PolarHBondContact O-N 2.94Å; N301-T303 VanDerWaalsContact C-N 3.32Å; N301-T303 PolarHBondContact O-N 3.23Å; N301-T303 PolarHBondContact OD1-N 3.36Å; N301-V304 HydrophobicContact CB-CB 4.38Å; N301-V304 HydrophobicContact CB-CG2 4.05Å; N301-V304 PolarHBondContact O-N 3.42Å; N301-Q305 WeakPolarHBondContact O-CG 3.41Å; N301-Q305 PolarHBondContact O-N 3.13Å; N301-Q305 VanDerWaalsContact O-N 3.14Å
302S86.4Confident88.5Confident82 Ų8258.6 Ų58.657%0.57330%0.298SS*.Hα-helixtrans-61.7-35.9-177.853.50000113.4Q305 E306S302-Q305 WeakPolarHBondContact O-CB 3.26Å; S302-Q305 PolarHBondContact O-N 2.93Å; S302-E306 PolarHBondContact O-N 2.84Å
303T89.4Confident88.2Confident72 Ų7262.5 Ų62.544%0.44232%0.319SS..Hα-helixtrans-66.3-40.9179.7-51.70000111.2N301 Q305 E306 H307N301-T303 VanDerWaalsContact C-N 3.32Å; N301-T303 PolarHBondContact O-N 3.23Å; N301-T303 PolarHBondContact OD1-N 3.36Å; T303-Q305 VanDerWaalsContact C-N 3.35Å; T303-E306 PolarHBondContact O-N 3.28Å; T303-H307 PolarHBondContact O-CD2 3.24Å; T303-H307 PolarHBondContact O-N 3.35Å
304V87.9Confident87.7Confident24 Ų2465.7 Ų65.715%0.14535%0.352CS..Hα-helixtrans-64.3-42.5176.1176.40000110.3I297 N301 E306 H307 L308 I410I297-V304 HydrophobicContact CB-CG1 4.44Å; I297-V304 HydrophobicContact CD1-CG1 3.9Å; I297-V304 HydrophobicContact CG1-CG1 4.48Å; N301-V304 HydrophobicContact CB-CB 4.38Å; N301-V304 HydrophobicContact CB-CG2 4.05Å; N301-V304 PolarHBondContact O-N 3.42Å; V304-E306 VanDerWaalsContact C-N 3.35Å; V304-E306 PolarHBondContact O-N 3.18Å; V304-H307 PolarHBondContact O-N 3.44Å; V304-L308 HydrophobicContact CG1-CD1 4.19Å; V304-L308 WeakPolarHBondContact O-CG 3.45Å; V304-L308 PolarHBondContact O-N 3.45Å; V304-I410 HydrophobicContact CG1-CD1 4.08Å
305Q87.9Confident87.5Confident33 Ų3362 Ų6215%0.15434%0.338CS..Hα-helixtrans-62.5-40.1176.5-66.1166.524.100112.4Y299 W300 N301 S302 T303 K309 F325Y299-Q305 WeakPolarHBondContact O-CG 3.25Å; Y299-Q305 PolarHBondContact O-NE2 2.84Å; W300-Q305 PolarHBondContact O-NE2 2.9Å; N301-Q305 WeakPolarHBondContact O-CG 3.41Å; N301-Q305 PolarHBondContact O-N 3.13Å; N301-Q305 VanDerWaalsContact O-N 3.14Å; S302-Q305 WeakPolarHBondContact O-CB 3.26Å; S302-Q305 PolarHBondContact O-N 2.93Å; T303-Q305 VanDerWaalsContact C-N 3.35Å; Q305-K309 VanDerWaalsContact O-CG 3.3Å; Q305-K309 WeakPolarHBondContact O-CG 3.45Å; Q305-K309 PolarHBondContact O-N 3.34Å; Q305-F325 VanDerWaalsContact CD-CZ 3.47Å; Q305-F325 HydrophobicContact CG-CE2 4.07Å; Q305-F325 HydrophobicContact CG-CZ 3.99Å; Q305-F325 VanDerWaalsContact NE2-CZ 3.31Å
306E88.4Confident87.5Confident127 Ų12763.2 Ų63.259%0.59335%0.347SS*.Hα-helixtrans-67.3-44.1176.7-173.2166.3-162.600111.7S302 T303 V304 L308 K309 T310S302-E306 PolarHBondContact O-N 2.84Å; T303-E306 PolarHBondContact O-N 3.28Å; V304-E306 VanDerWaalsContact C-N 3.35Å; V304-E306 PolarHBondContact O-N 3.18Å; E306-L308 VanDerWaalsContact C-N 3.33Å; E306-L308 PolarHBondContact O-N 3.25Å; E306-K309 WeakPolarHBondContact O-CB 3.48Å; E306-K309 PolarHBondContact O-N 3.16Å; E306-K309 VanDerWaalsContact O-N 3.13Å; E306-T310 PolarHBondContact O-N 3.34Å; E306-T310 PolarHBondContact O-OG1 3.44Å; E306-T310 VanDerWaalsContact O-OG1 3.12Å
307H86.9Confident87.5Confident77 Ų7762.6 Ų62.636%0.35633%0.334SS..Hα-helixtrans-59.4-42.3174.9-72.6-170000112.1T303 V304 T310 L311 S409 I410T303-H307 PolarHBondContact O-CD2 3.24Å; T303-H307 PolarHBondContact O-N 3.35Å; V304-H307 PolarHBondContact O-N 3.44Å; H307-T310 PolarHBondContact O-N 2.88Å; H307-L311 WeakPolarHBondContact O-CB 3.32Å; H307-L311 PolarHBondContact O-N 3.48Å; H307-S409 PolarHBondContact ND1-OG 3.3Å; H307-I410 HydrophobicContact CB-CD1 3.88Å
308L87.4Confident87.5Confident2 Ų265.4 Ų65.41%0.0135%0.349CS..Hα-helixtrans-65.9-35.4175.5-71.4174.5000112.6I293 I297 Y299 V304 E306 S312 M321 M380 I410I293-L308 HydrophobicContact CD1-CD2 3.72Å; I297-L308 HydrophobicContact CD1-CD1 4.16Å; Y299-L308 HydrophobicContact CD1-CD1 4.12Å; Y299-L308 HydrophobicContact CE1-CD1 4.06Å; V304-L308 HydrophobicContact CG1-CD1 4.19Å; V304-L308 WeakPolarHBondContact O-CG 3.45Å; V304-L308 PolarHBondContact O-N 3.45Å; E306-L308 VanDerWaalsContact C-N 3.33Å; E306-L308 PolarHBondContact O-N 3.25Å; L308-S312 WeakPolarHBondContact O-CB 3.5Å; L308-S312 PolarHBondContact O-N 2.91Å; L308-S312 PolarHBondContact O-OG 3.46Å; L308-M321 HydrophobicContact CB-CE 3.96Å; L308-M321 HydrophobicContact CD1-CE 4.04Å; L308-M321 HydrophobicContact CD1-SD 3.56Å; L308-M321 VanDerWaalsContact CD1-SD 3.56Å; L308-M380 HydrophobicContact CD2-CE 4.21Å; L308-I410 HydrophobicContact CD2-CD1 3.65Å; L308-I410 HydrophobicContact CD2-CG2 4.4Å; L308-I410 HydrophobicContact CG-CD1 3.7Å
309K87.4Confident87.6Confident102 Ų10260.6 Ų60.644%0.44333%0.326SS..Hα-helixtrans-66.5-41.3173.6-75.6170.4-173.2167.80111.8Q305 E306 S312 H313Q305-K309 VanDerWaalsContact O-CG 3.3Å; Q305-K309 WeakPolarHBondContact O-CG 3.45Å; Q305-K309 PolarHBondContact O-N 3.34Å; E306-K309 WeakPolarHBondContact O-CB 3.48Å; E306-K309 PolarHBondContact O-N 3.16Å; E306-K309 VanDerWaalsContact O-N 3.13Å; K309-S312 PolarHBondContact O-N 3.2Å; K309-S312 PolarHBondContact O-OG 3.45Å; K309-H313 PolarHBondContact O-N 2.92Å
310T87.9Confident87.7Confident98 Ų9860.6 Ų60.660%0.60133%0.326SS*.Hα-helixtrans-65.6-43.3176.2-58.30000111.2E306 H307 S312 H313E306-T310 PolarHBondContact O-N 3.34Å; E306-T310 PolarHBondContact O-OG1 3.44Å; E306-T310 VanDerWaalsContact O-OG1 3.12Å; H307-T310 PolarHBondContact O-N 2.88Å; T310-S312 VanDerWaalsContact C-N 3.3Å; T310-S312 PolarHBondContact O-N 3.29Å; T310-H313 VanDerWaalsContact O-CB 3.23Å; T310-H313 WeakPolarHBondContact O-CB 3.31Å; T310-H313 PolarHBondContact O-N 3.25Å
311L84.3Confident87.8Confident22 Ų2258.2 Ų58.212%0.11532%0.318CS..Hα-helixtrans-61.1-39.7177.2-167.589.4000112.3F291 H307 H313 N408 F412F291-L311 HydrophobicContact CD1-CD2 3.77Å; F291-L311 HydrophobicContact CE1-CD2 3.94Å; F291-L311 HydrophobicContact CE1-CG 4.36Å; H307-L311 WeakPolarHBondContact O-CB 3.32Å; H307-L311 PolarHBondContact O-N 3.48Å; L311-H313 VanDerWaalsContact C-N 3.32Å; L311-N408 VanDerWaalsContact CD1-ND2 3.34Å; L311-N408 WeakPolarHBondContact CD1-ND2 3.07Å; L311-F412 HydrophobicContact CD1-CD1 4.31Å; L311-F412 HydrophobicContact CD1-CE1 3.47Å; L311-F412 VanDerWaalsContact CD1-CE1 3.47Å; L311-F412 HydrophobicContact CD1-CZ 3.68Å; L311-F412 HydrophobicContact CD2-CD1 4.11Å; L311-F412 HydrophobicContact CD2-CE1 3.98Å; L311-F412 HydrophobicContact CD2-CE2 4.42Å; L311-F412 HydrophobicContact CD2-CG 4.42Å; L311-F412 HydrophobicContact CD2-CZ 4.15Å; L311-F412 HydrophobicContact CG-CE1 4.34Å; L311-F412 HydrophobicContact CG-CZ 4.38Å
312S85.4Confident87.8Confident5 Ų557.7 Ų57.74%0.03532%0.315CS..THydrogen-bonded Turntrans-89.84.6-178.5640000113.6L308 K309 T310 G314 F315 K317L308-S312 WeakPolarHBondContact O-CB 3.5Å; L308-S312 PolarHBondContact O-N 2.91Å; L308-S312 PolarHBondContact O-OG 3.46Å; K309-S312 PolarHBondContact O-N 3.2Å; K309-S312 PolarHBondContact O-OG 3.45Å; T310-S312 VanDerWaalsContact C-N 3.3Å; T310-S312 PolarHBondContact O-N 3.29Å; S312-G314 PolarHBondContact O-N 3Å; S312-F315 PolarHBondContact O-N 3.45Å; S312-K317 WeakPolarHBondContact OG-CD 3.4Å
313H85.8Confident88Confident159 Ų15956.4 Ų56.474%0.73630%0.302SS*.THydrogen-bonded Turntrans-64134.4-180-171.278.6000111K309 T310 L311 F315K309-H313 PolarHBondContact O-N 2.92Å; T310-H313 VanDerWaalsContact O-CB 3.23Å; T310-H313 WeakPolarHBondContact O-CB 3.31Å; T310-H313 PolarHBondContact O-N 3.25Å; L311-H313 VanDerWaalsContact C-N 3.32Å; H313-F315 VanDerWaalsContact C-N 3.29Å; H313-F315 WeakPolarHBondContact O-CD2 3.31Å; H313-F315 PolarHBondContact O-N 2.9Å
314G82.7Confident88.1Confident70 Ų7053 Ų5372%0.72228%0.28SS*.THydrogen-bonded Turntrans82.7-5.8-178.600000115.4S312S312-G314 PolarHBondContact O-N 3Å
315F86.4Confident88.2Confident31 Ų3153.8 Ų53.814%0.13628%0.282CS..SBendtrans-97.3149.5173.9-64.6-92.5000112S312 H313 K317 L382 A384 L397 L401S312-F315 PolarHBondContact O-N 3.45Å; H313-F315 VanDerWaalsContact C-N 3.29Å; H313-F315 WeakPolarHBondContact O-CD2 3.31Å; H313-F315 PolarHBondContact O-N 2.9Å; F315-K317 WeakPolarHBondContact O-CG 3.26Å; F315-L382 HydrophobicContact CB-CB 3.98Å; F315-L382 HydrophobicContact CB-CD1 4.35Å; F315-L382 HydrophobicContact CB-CD2 4.23Å; F315-L382 HydrophobicContact CB-CG 4.43Å; F315-L382 HydrophobicContact CD1-CB 3.88Å; F315-L382 HydrophobicContact CD2-CD1 4.17Å; F315-L382 HydrophobicContact CG-CB 4Å; F315-L382 HydrophobicContact CG-CD1 4.14Å; F315-A384 HydrophobicContact CD1-CB 3.92Å; F315-A384 HydrophobicContact CE1-CB 3.84Å; F315-L397 HydrophobicContact CE1-CD1 4.1Å; F315-L397 HydrophobicContact CE1-CD2 4.35Å; F315-L397 HydrophobicContact CZ-CD1 3.87Å; F315-L401 HydrophobicContact CZ-CD2 4.41Å
316N87.4Confident88.3Confident89 Ų8957.3 Ų57.348%0.47630%0.298SS..EExtended strand (participates in β ladder)trans-77129.6159.6-72.6-20.3000108.5L382 V383N316-L382 WeakPolarHBondContact O-CA 3.39Å; N316-V383 HydrophobicContact CB-CB 4.24Å; N316-V383 PolarHBondContact N-O 3.43Å; N316-V383 PolarHBondContact O-N 3.25Å
317K88.8Confident88.4Confident83 Ų8353.5 Ų53.536%0.36128%0.279SS..EExtended strand (participates in β ladder)trans-117.1131.2-165-46.6-176.5-76.4162.10110.8S312 F315 D322 L382S312-K317 WeakPolarHBondContact OG-CD 3.4Å; F315-K317 WeakPolarHBondContact O-CG 3.26Å; K317-D322 WeakPolarHBondContact CE-OD2 3.35Å; K317-D322 IonicContact NZ-OD1 2.65Å; K317-D322 IonicContact NZ-OD2 3.53Å; K317-D322 PolarHBondContact NZ-OD2 2.94Å; K317-L382 HydrophobicContact CB-CD2 3.97Å; K317-L382 HydrophobicContact CD-CD2 4.36Å; K317-L382 HydrophobicContact CG-CD2 3.74Å
318I88.9Confident88.6Confident85 Ų8550.3 Ų50.344%0.43626%0.264SS..EExtended strand (participates in β ladder)trans-113.294.4161.3-56166.4000104.9F358 Y381I318-F358 HydrophobicContact CG2-CE1 4.27Å; I318-Y381 PolarHBondContact N-O 3.33Å; I318-Y381 PolarHBondContact O-N 2.89Å
319S91.3Very high88.7Confident2 Ų259.2 Ų59.21%0.01430%0.298CS..  trans-128.4125.2-171.9177.20000110.1M321 D322 N323S319-M321 PolarHBondContact O-N 3.37Å; S319-M321 PolarHBondContact OG-N 3.07Å; S319-D322 PolarHBondContact O-N 3.5Å; S319-N323 PolarHBondContact O-N 3.41Å; S319-N323 PolarHBondContact O-ND2 2.9Å
320W92.3Very high88.8Confident0 Ų059.3 Ų59.30%031%0.307CS..Hα-helixtrans-60-33.2172.866.1-97.5000111.1Y299 N323 F324 F341 L345 F358 I362 I375 R379Y299-W320 AromaticContact CD1-CH2 3.85Å; Y299-W320 HydrophobicContact CD1-CH2 3.85Å; Y299-W320 AromaticContact CD1-CZ2 3.94Å; Y299-W320 HydrophobicContact CD1-CZ2 3.94Å; Y299-W320 HydrophobicContact CD2-CH2 4.15Å; Y299-W320 HydrophobicContact CD2-CZ2 4.43Å; Y299-W320 HydrophobicContact CE1-CH2 4.08Å; Y299-W320 AromaticContact CE1-CZ2 3.68Å; Y299-W320 HydrophobicContact CE1-CZ2 3.68Å; Y299-W320 HydrophobicContact CE2-CH2 4.36Å; Y299-W320 HydrophobicContact CE2-CZ2 4.21Å; Y299-W320 AromaticContact CG-CH2 3.89Å; Y299-W320 HydrophobicContact CG-CH2 3.89Å; Y299-W320 HydrophobicContact CG-CZ2 4.32Å; Y299-W320 AromaticContact CZ-CZ2 3.85Å; W320-N323 PolarHBondContact O-N 3.18Å; W320-F324 WeakPolarHBondContact O-CB 3.29Å; W320-F324 PolarHBondContact O-N 2.92Å; W320-F341 HydrophobicContact CH2-CE1 4.48Å; W320-F341 HydrophobicContact CH2-CZ 4.42Å; W320-F341 HydrophobicContact CZ3-CE1 4.39Å; W320-F341 HydrophobicContact CZ3-CZ 4.2Å; W320-L345 HydrophobicContact CE3-CD1 4.13Å; W320-L345 HydrophobicContact CH2-CD2 4.48Å; W320-L345 HydrophobicContact CZ3-CD1 4.08Å; W320-L345 HydrophobicContact CZ3-CD2 3.97Å; W320-F358 HydrophobicContact CB-CB 3.73Å; W320-F358 HydrophobicContact CB-CD1 3.47Å; W320-F358 VanDerWaalsContact CB-CD1 3.47Å; W320-F358 HydrophobicContact CB-CD2 4.2Å; W320-F358 HydrophobicContact CB-CE1 4.08Å; W320-F358 HydrophobicContact CB-CG 3.55Å; W320-I362 HydrophobicContact CB-CD1 4.39Å; W320-I362 HydrophobicContact CD2-CD1 3.37Å; W320-I362 HydrophobicContact CD2-CG1 3.85Å; W320-I362 HydrophobicContact CE3-CD1 3.45Å; W320-I362 VanDerWaalsContact CE3-CD1 3.45Å; W320-I362 HydrophobicContact CE3-CG1 4.41Å; W320-I362 HydrophobicContact CG-CD1 3.81Å; W320-I362 HydrophobicContact CG-CG1 3.99Å; W320-I362 HydrophobicContact CH2-CD1 4.18Å; W320-I362 HydrophobicContact CZ2-CD1 4.11Å; W320-I362 HydrophobicContact CZ2-CG1 4.3Å; W320-I362 HydrophobicContact CZ3-CD1 3.87Å; W320-I375 HydrophobicContact CH2-CD1 4.29Å; W320-R379 VanDerWaalsContact CD1-O 3.28Å
321M90.5Very high88.8Confident3 Ų357.7 Ų57.72%0.01530%0.297CS..Hα-helixtrans-68.4-46.1-177.3-174.5-172.273.300111.9Y299 L308 S319 N323 F324 F325Y299-M321 HydrophobicContact CD1-SD 4.21Å; L308-M321 HydrophobicContact CB-CE 3.96Å; L308-M321 HydrophobicContact CD1-CE 4.04Å; L308-M321 HydrophobicContact CD1-SD 3.56Å; L308-M321 VanDerWaalsContact CD1-SD 3.56Å; S319-M321 PolarHBondContact O-N 3.37Å; S319-M321 PolarHBondContact OG-N 3.07Å; M321-N323 VanDerWaalsContact C-N 3.32Å; M321-N323 PolarHBondContact O-N 3.32Å; M321-F324 PolarHBondContact O-N 3.45Å; M321-F325 HydrophobicContact CG-CD2 3.72Å; M321-F325 HydrophobicContact CG-CE2 3.42Å; M321-F325 VanDerWaalsContact CG-CE2 3.42Å; M321-F325 WeakPolarHBondContact O-CD2 3.23Å; M321-F325 PolarHBondContact O-N 3.39Å; M321-F325 HydrophobicContact SD-CE2 4.04Å
322D89.6Confident88.9Confident46 Ų4663.8 Ų63.825%0.24633%0.329CS..Hα-helixtrans-63.6-41178.4-72.6-32.6000110.9K317 S319 H326K317-D322 WeakPolarHBondContact CE-OD2 3.35Å; K317-D322 IonicContact NZ-OD1 2.65Å; K317-D322 IonicContact NZ-OD2 3.53Å; K317-D322 PolarHBondContact NZ-OD2 2.94Å; S319-D322 PolarHBondContact O-N 3.5Å; D322-H326 WeakPolarHBondContact O-CB 3.4Å; D322-H326 PolarHBondContact O-N 3.13Å
323N91.1Very high89Confident55 Ų5567.2 Ų67.229%0.29435%0.346SS..Hα-helixtrans-67.7-38.3175.7-76.3-79.9000112.2S319 W320 M321 H326 Y327 F349 Y355 F358S319-N323 PolarHBondContact O-N 3.41Å; S319-N323 PolarHBondContact O-ND2 2.9Å; W320-N323 PolarHBondContact O-N 3.18Å; M321-N323 VanDerWaalsContact C-N 3.32Å; M321-N323 PolarHBondContact O-N 3.32Å; N323-H326 PolarHBondContact O-N 3.01Å; N323-Y327 WeakPolarHBondContact O-CB 3.04Å; N323-Y327 PolarHBondContact O-N 3.35Å; N323-F349 HydrophobicContact CB-CE2 4.34Å; N323-F349 HydrophobicContact CB-CZ 4.01Å; N323-Y355 HydrophobicContact CB-CD1 4.31Å; N323-Y355 HydrophobicContact CB-CE1 4.09Å; N323-F358 HydrophobicContact CB-CE2 3.9Å; N323-F358 HydrophobicContact CB-CZ 4.35Å
324F92.2Very high88.8Confident0 Ų064.4 Ų64.40%035%0.345CS..Hα-helixtrans-64.3-46176.6-178.2-115.2000111.9W320 M321 H326 Y327 L328 F341 I344 L345 F349W320-F324 WeakPolarHBondContact O-CB 3.29Å; W320-F324 PolarHBondContact O-N 2.92Å; M321-F324 PolarHBondContact O-N 3.45Å; F324-H326 VanDerWaalsContact C-N 3.31Å; F324-H326 PolarHBondContact O-N 3.47Å; F324-Y327 WeakPolarHBondContact O-CB 3.14Å; F324-Y327 PolarHBondContact O-N 3.43Å; F324-L328 HydrophobicContact CD1-CD1 4.01Å; F324-L328 HydrophobicContact CD1-CG 4.49Å; F324-L328 HydrophobicContact CE1-CD1 3.57Å; F324-L328 HydrophobicContact CE1-CG 4.16Å; F324-L328 HydrophobicContact CE2-CD2 4.4Å; F324-L328 HydrophobicContact CE2-CG 4.37Å; F324-L328 HydrophobicContact CZ-CD1 3.93Å; F324-L328 HydrophobicContact CZ-CD2 4.12Å; F324-L328 HydrophobicContact CZ-CG 4.1Å; F324-L328 WeakPolarHBondContact O-CG 3.08Å; F324-L328 PolarHBondContact O-N 3.46Å; F324-F341 AromaticContact CD1-CE2 3.79Å; F324-F341 HydrophobicContact CD1-CE2 3.79Å; F324-F341 AromaticContact CD1-CZ 3.82Å; F324-F341 HydrophobicContact CD1-CZ 3.82Å; F324-F341 HydrophobicContact CE1-CD1 4.49Å; F324-F341 AromaticContact CE1-CD2 3.71Å; F324-F341 HydrophobicContact CE1-CD2 3.71Å; F324-F341 HydrophobicContact CE1-CE1 4.22Å; F324-F341 AromaticContact CE1-CE2 3.39Å; F324-F341 HydrophobicContact CE1-CE2 3.39Å; F324-F341 HydrophobicContact CE1-CG 4.26Å; F324-F341 AromaticContact CE1-CZ 3.65Å; F324-F341 HydrophobicContact CE1-CZ 3.65Å; F324-I344 HydrophobicContact CE2-CG2 4.01Å; F324-I344 HydrophobicContact CZ-CB 4.32Å; F324-I344 HydrophobicContact CZ-CG2 4.11Å; F324-L345 HydrophobicContact CD1-CD1 4.42Å; F324-L345 HydrophobicContact CD2-CD1 3.66Å; F324-L345 HydrophobicContact CE2-CB 3.91Å; F324-L345 HydrophobicContact CE2-CD1 3.87Å; F324-L345 HydrophobicContact CG-CD1 3.95Å; F324-L345 HydrophobicContact CZ-CB 3.89Å; F324-L345 HydrophobicContact CZ-CD1 4.32Å; F324-F349 HydrophobicContact CB-CD1 4.5Å; F324-F349 HydrophobicContact CB-CD2 4.48Å; F324-F349 HydrophobicContact CB-CE1 4.19Å; F324-F349 HydrophobicContact CB-CE2 4.16Å; F324-F349 HydrophobicContact CB-CZ 4Å; F324-F349 HydrophobicContact CD2-CB 3.68Å; F324-F349 AromaticContact CD2-CD1 3.84Å; F324-F349 HydrophobicContact CD2-CD1 3.84Å; F324-F349 AromaticContact CD2-CD2 3.76Å; F324-F349 HydrophobicContact CD2-CD2 3.76Å; F324-F349 HydrophobicContact CD2-CE1 4.36Å; F324-F349 HydrophobicContact CD2-CE2 4.29Å; F324-F349 AromaticContact CD2-CG 3.5Å; F324-F349 HydrophobicContact CD2-CG 3.5Å; F324-F349 VanDerWaalsContact CD2-CG 3.5Å; F324-F349 HydrophobicContact CE2-CB 3.77Å; F324-F349 HydrophobicContact CE2-CG 4.14Å
325F89.8Confident88.6Confident40 Ų4061.8 Ų61.818%0.17532%0.316CS..Hα-helixtrans-68.3-31.3175.9-74.1-61.5000112.8Q305 M321 L328 R329 F341Q305-F325 VanDerWaalsContact CD-CZ 3.47Å; Q305-F325 HydrophobicContact CG-CE2 4.07Å; Q305-F325 HydrophobicContact CG-CZ 3.99Å; Q305-F325 VanDerWaalsContact NE2-CZ 3.31Å; M321-F325 HydrophobicContact CG-CD2 3.72Å; M321-F325 HydrophobicContact CG-CE2 3.42Å; M321-F325 VanDerWaalsContact CG-CE2 3.42Å; M321-F325 WeakPolarHBondContact O-CD2 3.23Å; M321-F325 PolarHBondContact O-N 3.39Å; M321-F325 HydrophobicContact SD-CE2 4.04Å; F325-L328 HydrophobicContact CD1-CD1 3.99Å; F325-L328 HydrophobicContact CE1-CD1 4.32Å; F325-R329 WeakPolarHBondContact O-CG 3.47Å; F325-R329 PolarHBondContact O-N 2.77Å; F325-R329 VanDerWaalsContact O-N 3.17Å; F325-F341 HydrophobicContact CE1-CE2 4.19Å; F325-F341 AromaticContact CZ-CE2 3.9Å; F325-F341 HydrophobicContact CZ-CE2 3.9Å
326H90.1Very high88.2Confident107 Ų10764.5 Ų64.550%0.49534%0.339SS..Hα-helixtrans-63.9-47.4170.3-177.369.5000111.2D322 N323 F324 L328 R329 V330D322-H326 WeakPolarHBondContact O-CB 3.4Å; D322-H326 PolarHBondContact O-N 3.13Å; N323-H326 PolarHBondContact O-N 3.01Å; F324-H326 VanDerWaalsContact C-N 3.31Å; F324-H326 PolarHBondContact O-N 3.47Å; H326-L328 PolarHBondContact O-N 3.27Å; H326-R329 WeakPolarHBondContact O-CB 3.3Å; H326-R329 PolarHBondContact O-N 3.19Å; H326-R329 VanDerWaalsContact O-N 3.13Å; H326-V330 WeakPolarHBondContact O-CG2 3.27Å; H326-V330 PolarHBondContact O-N 2.85Å
327Y90.8Very high88.2Confident47 Ų4763 Ų6318%0.18433%0.333CS..Hα-helixtrans-56.6-47175172.1-97.8000112N323 F324 R329 V330 V331 I344 F349 Y355N323-Y327 WeakPolarHBondContact O-CB 3.04Å; N323-Y327 PolarHBondContact O-N 3.35Å; F324-Y327 WeakPolarHBondContact O-CB 3.14Å; F324-Y327 PolarHBondContact O-N 3.43Å; Y327-R329 VanDerWaalsContact C-N 3.27Å; Y327-R329 PolarHBondContact O-N 2.92Å; Y327-V330 PolarHBondContact O-N 3.02Å; Y327-V330 VanDerWaalsContact O-N 3.16Å; Y327-V331 HydrophobicContact CD2-CG2 3.96Å; Y327-V331 HydrophobicContact CE1-CG2 4.17Å; Y327-V331 HydrophobicContact CE2-CG2 3.6Å; Y327-V331 HydrophobicContact CG-CG2 4.41Å; Y327-V331 WeakPolarHBondContact O-CG2 3.31Å; Y327-V331 PolarHBondContact O-N 3.11Å; Y327-I344 HydrophobicContact CE1-CG2 4.38Å; Y327-F349 HydrophobicContact CD1-CB 4.32Å; Y327-F349 AromaticContact CD1-CD2 3.94Å; Y327-F349 HydrophobicContact CD1-CD2 3.94Å; Y327-F349 HydrophobicContact CD2-CD2 4.4Å; Y327-F349 HydrophobicContact CE1-CB 4.35Å; Y327-F349 AromaticContact CG-CD2 3.8Å; Y327-F349 HydrophobicContact CG-CD2 3.8Å; Y327-F349 HydrophobicContact CG-CE2 4.44Å; Y327-Y355 HydrophobicContact CD2-CD2 4.4Å; Y327-Y355 AromaticContact CD2-CE2 3.72Å; Y327-Y355 HydrophobicContact CD2-CE2 3.72Å; Y327-Y355 HydrophobicContact CG-CE2 4.22Å
328L90.5Very high88.1Confident11 Ų1161.4 Ų61.46%0.05833%0.326CS..Hα-helixtrans-57.9-38.4176.4-73.3179.2000112.7F324 F325 H326 N332 I333 A335 I344F324-L328 HydrophobicContact CD1-CD1 4.01Å; F324-L328 HydrophobicContact CD1-CG 4.49Å; F324-L328 HydrophobicContact CE1-CD1 3.57Å; F324-L328 HydrophobicContact CE1-CG 4.16Å; F324-L328 HydrophobicContact CE2-CD2 4.4Å; F324-L328 HydrophobicContact CE2-CG 4.37Å; F324-L328 HydrophobicContact CZ-CD1 3.93Å; F324-L328 HydrophobicContact CZ-CD2 4.12Å; F324-L328 HydrophobicContact CZ-CG 4.1Å; F324-L328 WeakPolarHBondContact O-CG 3.08Å; F324-L328 PolarHBondContact O-N 3.46Å; F325-L328 HydrophobicContact CD1-CD1 3.99Å; F325-L328 HydrophobicContact CE1-CD1 4.32Å; H326-L328 PolarHBondContact O-N 3.27Å; L328-N332 WeakPolarHBondContact O-CA 3.11Å; L328-N332 PolarHBondContact O-N 2.88Å; L328-I333 HydrophobicContact CD2-CB 4.42Å; L328-I333 PolarHBondContact O-N 2.87Å; L328-A335 HydrophobicContact CD1-CB 3.99Å; L328-A335 HydrophobicContact CD2-CB 4.47Å; L328-I344 HydrophobicContact CD2-CD1 4.43Å; L328-I344 HydrophobicContact CD2-CG2 3.84Å
329R89.9Confident87.9Confident189 Ų18960 Ų6071%0.71332%0.323SS*.Hα-helixtrans-69-41.2175.9-71.3173.8-171.8176.72.2112.5F325 H326 Y327 N332F325-R329 WeakPolarHBondContact O-CG 3.47Å; F325-R329 PolarHBondContact O-N 2.77Å; F325-R329 VanDerWaalsContact O-N 3.17Å; H326-R329 WeakPolarHBondContact O-CB 3.3Å; H326-R329 PolarHBondContact O-N 3.19Å; H326-R329 VanDerWaalsContact O-N 3.13Å; Y327-R329 VanDerWaalsContact C-N 3.27Å; Y327-R329 PolarHBondContact O-N 2.92Å; R329-N332 PolarHBondContact O-N 3.36Å
330V89.4Confident87.7Confident104 Ų10463.1 Ų63.163%0.6334%0.34SS*.Hα-helixtrans-66.6-41.6179.5172.40000111H326 Y327 N332H326-V330 WeakPolarHBondContact O-CG2 3.27Å; H326-V330 PolarHBondContact O-N 2.85Å; Y327-V330 PolarHBondContact O-N 3.02Å; Y327-V330 VanDerWaalsContact O-N 3.16Å; V330-N332 VanDerWaalsContact C-N 3.26Å; V330-N332 PolarHBondContact O-N 3.38Å
331V87.1Confident87.7Confident64 Ų6463.1 Ų63.139%0.38834%0.34SS..Hα-helixtrans-82.2-7.4178.1-171.70000112Y327 I333Y327-V331 HydrophobicContact CD2-CG2 3.96Å; Y327-V331 HydrophobicContact CE1-CG2 4.17Å; Y327-V331 HydrophobicContact CE2-CG2 3.6Å; Y327-V331 HydrophobicContact CG-CG2 4.41Å; Y327-V331 WeakPolarHBondContact O-CG2 3.31Å; Y327-V331 PolarHBondContact O-N 3.11Å; V331-I333 HydrophobicContact CB-CD1 4.43Å; V331-I333 HydrophobicContact CG1-CD1 3.54Å; V331-I333 HydrophobicContact CG1-CG1 3.97Å; V331-I333 PolarHBondContact O-N 3.39Å
332N87.6Confident87.7Confident149 Ų14963.2 Ų63.280%0.79734%0.341SS*.THydrogen-bonded Turntrans57.942.2179.8-160.933.3000114L328 R329 V330L328-N332 WeakPolarHBondContact O-CA 3.11Å; L328-N332 PolarHBondContact O-N 2.88Å; R329-N332 PolarHBondContact O-N 3.36Å; V330-N332 VanDerWaalsContact C-N 3.26Å; V330-N332 PolarHBondContact O-N 3.38Å
333I87.3Confident87.7Confident78 Ų7866 Ų6640%0.436%0.356SS..  trans-114.8133178.1-61.1173.2000109.7L328 V331 I344L328-I333 HydrophobicContact CD2-CB 4.42Å; L328-I333 PolarHBondContact O-N 2.87Å; V331-I333 HydrophobicContact CB-CD1 4.43Å; V331-I333 HydrophobicContact CG1-CD1 3.54Å; V331-I333 HydrophobicContact CG1-CG1 3.97Å; V331-I333 PolarHBondContact O-N 3.39Å; I333-I344 HydrophobicContact CG2-CD1 3.68Å
334S80.9Confident87.7Confident100 Ų10064.7 Ų64.770%0.69935%0.348SS*.  trans-96.1124.9172.559.90000111.3
335A79.6Confident87.7Confident14 Ų1464.7 Ų64.712%0.11635%0.348CS..  trans-107.583.817300000110.1L328 F341 I344L328-A335 HydrophobicContact CD1-CB 3.99Å; L328-A335 HydrophobicContact CD2-CB 4.47Å; A335-F341 HydrophobicContact CB-CB 4.19Å; A335-F341 HydrophobicContact CB-CD2 4.22Å; A335-I344 HydrophobicContact CB-CD1 4.09Å
336S77.9Confident87.7Confident88 Ų8866.3 Ų66.362%0.61536%0.355SS*.  trans-92.1-22.6-177.150.70000113.6
337T85.6Confident87.6Confident57 Ų5762.8 Ų62.835%0.3535%0.348SS..SBendtrans-102155.817874.10000111.3S339 D340 F341T337-S339 PolarHBondContact O-N 2.93Å; T337-S339 PolarHBondContact OG1-OG 3.28Å; T337-D340 PolarHBondContact O-N 3.48Å; T337-D340 WeakPolarHBondContact OG1-CB 3.27Å; T337-D340 PolarHBondContact OG1-N 2.77Å; T337-D340 PolarHBondContact OG1-OD2 3.33Å; T337-F341 VanDerWaalsContact O-CB 3.32Å; T337-F341 WeakPolarHBondContact O-CB 3.49Å; T337-F341 PolarHBondContact O-N 2.9Å
338K87.1Confident87.6Confident50 Ų5063.2 Ų63.222%0.21736%0.358CS..Hα-helixtrans-54.3-49175.2175.2-177.8178.2-156.70112.2W300 F341 I342 E372 D374W300-K338 HydrophobicContact CD2-CB 4.01Å; W300-K338 HydrophobicContact CD2-CG 4.45Å; W300-K338 HydrophobicContact CE3-CB 4.24Å; W300-K338 HydrophobicContact CE3-CG 4.23Å; W300-K338 HydrophobicContact CH2-CB 4Å; W300-K338 HydrophobicContact CH2-CD 3.72Å; W300-K338 HydrophobicContact CH2-CG 3.48Å; W300-K338 VanDerWaalsContact CH2-CG 3.48Å; W300-K338 HydrophobicContact CZ2-CB 3.73Å; W300-K338 HydrophobicContact CZ2-CD 3.81Å; W300-K338 HydrophobicContact CZ2-CG 3.69Å; W300-K338 HydrophobicContact CZ3-CB 4.24Å; W300-K338 HydrophobicContact CZ3-CD 4.47Å; W300-K338 HydrophobicContact CZ3-CG 3.76Å; K338-F341 PolarHBondContact O-N 2.77Å; K338-I342 HydrophobicContact CG-CD1 3.91Å; K338-I342 WeakPolarHBondContact O-CG1 3.48Å; K338-I342 PolarHBondContact O-N 3.11Å; K338-E372 IonicContact NZ-OE2 3.42Å; K338-E372 PolarHBondContact NZ-OE2 3.2Å; K338-D374 WeakPolarHBondContact CE-OD1 3.42Å; K338-D374 IonicContact NZ-OD1 2.73Å; K338-D374 PolarHBondContact NZ-OD1 2.84Å
339S85.6Confident87.8Confident55 Ų5562.7 Ų62.739%0.38536%0.355SS..Hα-helixtrans-62.4-44.9-177.750.80000111.5T337 I342 N343T337-S339 PolarHBondContact O-N 2.93Å; T337-S339 PolarHBondContact OG1-OG 3.28Å; S339-I342 PolarHBondContact O-N 3.3Å; S339-N343 WeakPolarHBondContact O-CB 3.47Å; S339-N343 PolarHBondContact O-N 2.94Å; S339-N343 PolarHBondContact O-ND2 3.07Å; S339-N343 VanDerWaalsContact O-ND2 3.14Å
340D87.8Confident87.9Confident68 Ų6854.3 Ų54.336%0.36432%0.324SS..Hα-helixtrans-67.5-43.9-178.9-59.7-24.7000110.6T337 I342 N343 I344T337-D340 PolarHBondContact O-N 3.48Å; T337-D340 WeakPolarHBondContact OG1-CB 3.27Å; T337-D340 PolarHBondContact OG1-N 2.77Å; T337-D340 PolarHBondContact OG1-OD2 3.33Å; D340-I342 PolarHBondContact O-N 2.96Å; D340-N343 PolarHBondContact O-N 3.49Å; D340-I344 WeakPolarHBondContact O-CB 3.15Å; D340-I344 WeakPolarHBondContact O-CD1 3.46Å; D340-I344 WeakPolarHBondContact O-CG1 3.41Å; D340-I344 PolarHBondContact O-N 3.49Å
341F91.4Very high88.1Confident0 Ų058.8 Ų58.80%033%0.33CS..Hα-helixtrans-55.8-51.6176.5-172.9-83.9000111.6W300 W320 F324 F325 A335 T337 K338 L345 I375W300-F341 HydrophobicContact CB-CB 4.32Å; W300-F341 HydrophobicContact CB-CD2 4.13Å; W300-F341 HydrophobicContact CB-CG 4.3Å; W300-F341 HydrophobicContact CE3-CD1 4.3Å; W300-F341 HydrophobicContact CE3-CG 4.43Å; W320-F341 HydrophobicContact CH2-CE1 4.48Å; W320-F341 HydrophobicContact CH2-CZ 4.42Å; W320-F341 HydrophobicContact CZ3-CE1 4.39Å; W320-F341 HydrophobicContact CZ3-CZ 4.2Å; F324-F341 AromaticContact CD1-CE2 3.79Å; F324-F341 HydrophobicContact CD1-CE2 3.79Å; F324-F341 AromaticContact CD1-CZ 3.82Å; F324-F341 HydrophobicContact CD1-CZ 3.82Å; F324-F341 HydrophobicContact CE1-CD1 4.49Å; F324-F341 AromaticContact CE1-CD2 3.71Å; F324-F341 HydrophobicContact CE1-CD2 3.71Å; F324-F341 HydrophobicContact CE1-CE1 4.22Å; F324-F341 AromaticContact CE1-CE2 3.39Å; F324-F341 HydrophobicContact CE1-CE2 3.39Å; F324-F341 HydrophobicContact CE1-CG 4.26Å; F324-F341 AromaticContact CE1-CZ 3.65Å; F324-F341 HydrophobicContact CE1-CZ 3.65Å; F325-F341 HydrophobicContact CE1-CE2 4.19Å; F325-F341 AromaticContact CZ-CE2 3.9Å; F325-F341 HydrophobicContact CZ-CE2 3.9Å; A335-F341 HydrophobicContact CB-CB 4.19Å; A335-F341 HydrophobicContact CB-CD2 4.22Å; T337-F341 VanDerWaalsContact O-CB 3.32Å; T337-F341 WeakPolarHBondContact O-CB 3.49Å; T337-F341 PolarHBondContact O-N 2.9Å; K338-F341 PolarHBondContact O-N 2.77Å; F341-L345 HydrophobicContact CD1-CD2 4.47Å; F341-L345 HydrophobicContact CE1-CD2 3.95Å; F341-L345 WeakPolarHBondContact O-CB 3.46Å; F341-L345 PolarHBondContact O-N 3.13Å; F341-I375 HydrophobicContact CE1-CD1 4.23Å
342I90.2Very high88.3Confident6 Ų656.9 Ų56.93%0.03132%0.32CS..Hα-helixtrans-73.3-37.3-174.8-64.1177.5000111.7W300 K338 S339 D340 L345 K346 F364 Y373W300-I342 HydrophobicContact CZ3-CD1 4.22Å; K338-I342 HydrophobicContact CG-CD1 3.91Å; K338-I342 WeakPolarHBondContact O-CG1 3.48Å; K338-I342 PolarHBondContact O-N 3.11Å; S339-I342 PolarHBondContact O-N 3.3Å; D340-I342 PolarHBondContact O-N 2.96Å; I342-L345 PolarHBondContact O-N 3.11Å; I342-K346 VanDerWaalsContact O-CB 3.3Å; I342-K346 WeakPolarHBondContact O-CB 3.37Å; I342-K346 PolarHBondContact O-N 3.5Å; I342-F364 HydrophobicContact CG2-CE1 4.47Å; I342-Y373 WeakPolarHBondContact CD1-O 3.47Å
343N89.3Confident88.5Confident104 Ų10455.2 Ų55.256%0.55632%0.317SS*.Hα-helixtrans-65.4-42.4176.4-74.1-24.1000111.9S339 D340 G347S339-N343 WeakPolarHBondContact O-CB 3.47Å; S339-N343 PolarHBondContact O-N 2.94Å; S339-N343 PolarHBondContact O-ND2 3.07Å; S339-N343 VanDerWaalsContact O-ND2 3.14Å; D340-N343 PolarHBondContact O-N 3.49Å; N343-G347 WeakPolarHBondContact O-CA 3.4Å; N343-G347 PolarHBondContact O-N 3.01Å
344I91.4Very high88.6Confident28 Ų2858.2 Ų58.214%0.14433%0.329CS..Hα-helixtrans-70.4-42.2177.4-63.2162.6000110.5F324 Y327 L328 I333 A335 D340 S348 F349F324-I344 HydrophobicContact CE2-CG2 4.01Å; F324-I344 HydrophobicContact CZ-CB 4.32Å; F324-I344 HydrophobicContact CZ-CG2 4.11Å; Y327-I344 HydrophobicContact CE1-CG2 4.38Å; L328-I344 HydrophobicContact CD2-CD1 4.43Å; L328-I344 HydrophobicContact CD2-CG2 3.84Å; I333-I344 HydrophobicContact CG2-CD1 3.68Å; A335-I344 HydrophobicContact CB-CD1 4.09Å; D340-I344 WeakPolarHBondContact O-CB 3.15Å; D340-I344 WeakPolarHBondContact O-CD1 3.46Å; D340-I344 WeakPolarHBondContact O-CG1 3.41Å; D340-I344 PolarHBondContact O-N 3.49Å; I344-S348 WeakPolarHBondContact O-CB 3.49Å; I344-S348 PolarHBondContact O-N 3.16Å; I344-F349 PolarHBondContact O-N 3.41Å
345L92.1Very high89.1Confident0 Ų054.9 Ų54.90%030%0.301CS..Iπ-helixtrans-59-53.3178.3-179.465.5000111.2W320 F324 F341 I342 F349 L350 I362 F364 I375W320-L345 HydrophobicContact CE3-CD1 4.13Å; W320-L345 HydrophobicContact CH2-CD2 4.48Å; W320-L345 HydrophobicContact CZ3-CD1 4.08Å; W320-L345 HydrophobicContact CZ3-CD2 3.97Å; F324-L345 HydrophobicContact CD1-CD1 4.42Å; F324-L345 HydrophobicContact CD2-CD1 3.66Å; F324-L345 HydrophobicContact CE2-CB 3.91Å; F324-L345 HydrophobicContact CE2-CD1 3.87Å; F324-L345 HydrophobicContact CG-CD1 3.95Å; F324-L345 HydrophobicContact CZ-CB 3.89Å; F324-L345 HydrophobicContact CZ-CD1 4.32Å; F341-L345 HydrophobicContact CD1-CD2 4.47Å; F341-L345 HydrophobicContact CE1-CD2 3.95Å; F341-L345 WeakPolarHBondContact O-CB 3.46Å; F341-L345 PolarHBondContact O-N 3.13Å; I342-L345 PolarHBondContact O-N 3.11Å; L345-F349 HydrophobicContact CD1-CD1 3.65Å; L345-F349 HydrophobicContact CD1-CE1 4.23Å; L345-F349 HydrophobicContact CD1-CG 4.4Å; L345-L350 HydrophobicContact CD1-CG 4.35Å; L345-L350 HydrophobicContact CG-CD1 4.31Å; L345-L350 HydrophobicContact CG-CG 4.47Å; L345-L350 WeakPolarHBondContact O-CB 3.39Å; L345-L350 VanDerWaalsContact O-CG 3.3Å; L345-L350 WeakPolarHBondContact O-CG 3.32Å; L345-L350 PolarHBondContact O-N 3.05Å; L345-I362 HydrophobicContact CD1-CD1 4.19Å; L345-I362 HydrophobicContact CD2-CD1 4.02Å; L345-I362 HydrophobicContact CG-CD1 4.44Å; L345-F364 HydrophobicContact CD2-CE1 3.98Å; L345-F364 HydrophobicContact CD2-CZ 3.82Å; L345-F364 HydrophobicContact CG-CZ 4.23Å; L345-I375 HydrophobicContact CD2-CD1 4.02Å
346K90.6Very high89.7Confident73 Ų7359.9 Ų59.932%0.31732%0.323SS..Iπ-helixtrans-80.5-37.3-176.2-172.6177.8178.6179.60113.5I342 Y373I342-K346 VanDerWaalsContact O-CB 3.3Å; I342-K346 WeakPolarHBondContact O-CB 3.37Å; I342-K346 PolarHBondContact O-N 3.5Å; K346-Y373 PolarHBondContact NZ-OH 3.14Å
347G88Confident90.3Very high33 Ų3361.1 Ų61.134%0.3432%0.318SS..Iπ-helixtrans-82.6-31.8-173.200000113.9N343 R351N343-G347 WeakPolarHBondContact O-CA 3.4Å; N343-G347 PolarHBondContact O-N 3.01Å; G347-R351 WeakPolarHBondContact O-CD 3.36Å
348S90.4Very high90.7Very high57 Ų5758.5 Ų58.540%0.39930%0.302SS..Iπ-helixtrans-121.5-58.7-174-54.40000112.3I344 R351 S352I344-S348 WeakPolarHBondContact O-CB 3.49Å; I344-S348 PolarHBondContact O-N 3.16Å; S348-R351 PolarHBondContact O-N 2.85Å; S348-S352 PolarHBondContact O-N 3.2Å
349F93.7Very high91Very high0 Ų058.9 Ų58.90%031%0.309CS..Iπ-helixtrans-62.7-57-173176-101.7000112.3N323 F324 Y327 I344 L345 R351 S352 Y355 F358N323-F349 HydrophobicContact CB-CE2 4.34Å; N323-F349 HydrophobicContact CB-CZ 4.01Å; F324-F349 HydrophobicContact CB-CD1 4.5Å; F324-F349 HydrophobicContact CB-CD2 4.48Å; F324-F349 HydrophobicContact CB-CE1 4.19Å; F324-F349 HydrophobicContact CB-CE2 4.16Å; F324-F349 HydrophobicContact CB-CZ 4Å; F324-F349 HydrophobicContact CD2-CB 3.68Å; F324-F349 AromaticContact CD2-CD1 3.84Å; F324-F349 HydrophobicContact CD2-CD1 3.84Å; F324-F349 AromaticContact CD2-CD2 3.76Å; F324-F349 HydrophobicContact CD2-CD2 3.76Å; F324-F349 HydrophobicContact CD2-CE1 4.36Å; F324-F349 HydrophobicContact CD2-CE2 4.29Å; F324-F349 AromaticContact CD2-CG 3.5Å; F324-F349 HydrophobicContact CD2-CG 3.5Å; F324-F349 VanDerWaalsContact CD2-CG 3.5Å; F324-F349 HydrophobicContact CE2-CB 3.77Å; F324-F349 HydrophobicContact CE2-CG 4.14Å; Y327-F349 HydrophobicContact CD1-CB 4.32Å; Y327-F349 AromaticContact CD1-CD2 3.94Å; Y327-F349 HydrophobicContact CD1-CD2 3.94Å; Y327-F349 HydrophobicContact CD2-CD2 4.4Å; Y327-F349 HydrophobicContact CE1-CB 4.35Å; Y327-F349 AromaticContact CG-CD2 3.8Å; Y327-F349 HydrophobicContact CG-CD2 3.8Å; Y327-F349 HydrophobicContact CG-CE2 4.44Å; I344-F349 PolarHBondContact O-N 3.41Å; L345-F349 HydrophobicContact CD1-CD1 3.65Å; L345-F349 HydrophobicContact CD1-CE1 4.23Å; L345-F349 HydrophobicContact CD1-CG 4.4Å; F349-R351 PolarHBondContact O-N 3.46Å; F349-S352 WeakPolarHBondContact O-CB 3.41Å; F349-S352 PolarHBondContact O-N 3.46Å; F349-S352 VanDerWaalsContact O-N 3.08Å; F349-S352 PolarHBondContact O-OG 3.11Å; F349-Y355 HydrophobicContact CD2-CD1 4.45Å; F349-Y355 AromaticContact CD2-CD2 3.3Å; F349-Y355 HydrophobicContact CD2-CD2 3.3Å; F349-Y355 AromaticContact CD2-CE2 3.87Å; F349-Y355 HydrophobicContact CD2-CE2 3.87Å; F349-Y355 AromaticContact CD2-CG 3.67Å; F349-Y355 HydrophobicContact CD2-CG 3.67Å; F349-Y355 HydrophobicContact CE1-CG 4.26Å; F349-Y355 AromaticContact CE2-CD1 3.54Å; F349-Y355 HydrophobicContact CE2-CD1 3.54Å; F349-Y355 AromaticContact CE2-CD2 3.2Å; F349-Y355 HydrophobicContact CE2-CD2 3.2Å; F349-Y355 AromaticContact CE2-CE1 3.94Å; F349-Y355 HydrophobicContact CE2-CE1 3.94Å; F349-Y355 AromaticContact CE2-CE2 3.67Å; F349-Y355 HydrophobicContact CE2-CE2 3.67Å; F349-Y355 AromaticContact CE2-CG 3.16Å; F349-Y355 HydrophobicContact CE2-CG 3.16Å; F349-Y355 HydrophobicContact CG-CD2 4.21Å; F349-Y355 HydrophobicContact CG-CG 4.4Å; F349-Y355 AromaticContact CZ-CD1 3.73Å; F349-Y355 HydrophobicContact CZ-CD1 3.73Å; F349-Y355 HydrophobicContact CZ-CD2 4.05Å; F349-Y355 HydrophobicContact CZ-CE1 4.42Å; F349-Y355 AromaticContact CZ-CG 3.52Å; F349-Y355 HydrophobicContact CZ-CG 3.52Å; F349-F358 HydrophobicContact CE1-CD2 4.11Å; F349-F358 AromaticContact CZ-CD2 3.97Å; F349-F358 HydrophobicContact CZ-CD2 3.97Å; F349-F358 HydrophobicContact CZ-CE2 4.42Å
350L93.6Very high91.2Very high12 Ų1263.6 Ų63.66%0.06332%0.324CS..THydrogen-bonded Turntrans-68.6-14.9-178.2-67.1178.8000113.9L345 F358 I362 F364L345-L350 HydrophobicContact CD1-CG 4.35Å; L345-L350 HydrophobicContact CG-CD1 4.31Å; L345-L350 HydrophobicContact CG-CG 4.47Å; L345-L350 WeakPolarHBondContact O-CB 3.39Å; L345-L350 VanDerWaalsContact O-CG 3.3Å; L345-L350 WeakPolarHBondContact O-CG 3.32Å; L345-L350 PolarHBondContact O-N 3.05Å; L350-F358 HydrophobicContact CD2-CB 3.94Å; L350-I362 HydrophobicContact CD1-CD1 4.45Å; L350-F364 HydrophobicContact CD1-CE2 3.68Å; L350-F364 HydrophobicContact CD1-CZ 3.78Å
351R92.3Very high91.4Very high198 Ų19860.9 Ų60.975%0.74731%0.31SS*.THydrogen-bonded Turntrans-87.7-17.5173.9-69.8-165.1-179.5175.1-5.4113.4G347 S348 F349G347-R351 WeakPolarHBondContact O-CD 3.36Å; S348-R351 PolarHBondContact O-N 2.85Å; F349-R351 PolarHBondContact O-N 3.46Å
352S92.2Very high91.6Very high25 Ų2561.2 Ų61.218%0.17531%0.312CS..SBendtrans-68.9138.5175.672.50000109.9S348 F349 E354 Y355 Q356S348-S352 PolarHBondContact O-N 3.2Å; F349-S352 WeakPolarHBondContact O-CB 3.41Å; F349-S352 PolarHBondContact O-N 3.46Å; F349-S352 VanDerWaalsContact O-N 3.08Å; F349-S352 PolarHBondContact O-OG 3.11Å; S352-E354 PolarHBondContact O-N 3.24Å; S352-Y355 PolarHBondContact O-N 2.8Å; S352-Y355 WeakPolarHBondContact OG-CD2 3.34Å; S352-Q356 PolarHBondContact O-N 3.01Å
353P91.1Very high91.8Very high113 Ų11365.7 Ų65.773%0.73434%0.335SS*.THydrogen-bonded Turntrans-62.8-28.1-175.823.1-32.3000112.7
354E89.9Confident91.9Very high141 Ų14163 Ų6366%0.65932%0.318SS*.THydrogen-bonded Turntrans-68.5-38178.7-64.8177-174.100112.5S352 H357S352-E354 PolarHBondContact O-N 3.24Å; E354-H357 PolarHBondContact O-CE1 2.93Å; E354-H357 PolarHBondContact O-ND1 3.44Å
355Y92.5Very high91.8Very high30 Ų3063.8 Ų63.812%0.11833%0.326CS..THydrogen-bonded Turntrans-106.81.2-173.7-55.4-57.2000114.1N323 Y327 F349 S352 H357 F358N323-Y355 HydrophobicContact CB-CD1 4.31Å; N323-Y355 HydrophobicContact CB-CE1 4.09Å; Y327-Y355 HydrophobicContact CD2-CD2 4.4Å; Y327-Y355 AromaticContact CD2-CE2 3.72Å; Y327-Y355 HydrophobicContact CD2-CE2 3.72Å; Y327-Y355 HydrophobicContact CG-CE2 4.22Å; F349-Y355 HydrophobicContact CD2-CD1 4.45Å; F349-Y355 AromaticContact CD2-CD2 3.3Å; F349-Y355 HydrophobicContact CD2-CD2 3.3Å; F349-Y355 AromaticContact CD2-CE2 3.87Å; F349-Y355 HydrophobicContact CD2-CE2 3.87Å; F349-Y355 AromaticContact CD2-CG 3.67Å; F349-Y355 HydrophobicContact CD2-CG 3.67Å; F349-Y355 HydrophobicContact CE1-CG 4.26Å; F349-Y355 AromaticContact CE2-CD1 3.54Å; F349-Y355 HydrophobicContact CE2-CD1 3.54Å; F349-Y355 AromaticContact CE2-CD2 3.2Å; F349-Y355 HydrophobicContact CE2-CD2 3.2Å; F349-Y355 AromaticContact CE2-CE1 3.94Å; F349-Y355 HydrophobicContact CE2-CE1 3.94Å; F349-Y355 AromaticContact CE2-CE2 3.67Å; F349-Y355 HydrophobicContact CE2-CE2 3.67Å; F349-Y355 AromaticContact CE2-CG 3.16Å; F349-Y355 HydrophobicContact CE2-CG 3.16Å; F349-Y355 HydrophobicContact CG-CD2 4.21Å; F349-Y355 HydrophobicContact CG-CG 4.4Å; F349-Y355 AromaticContact CZ-CD1 3.73Å; F349-Y355 HydrophobicContact CZ-CD1 3.73Å; F349-Y355 HydrophobicContact CZ-CD2 4.05Å; F349-Y355 HydrophobicContact CZ-CE1 4.42Å; F349-Y355 AromaticContact CZ-CG 3.52Å; F349-Y355 HydrophobicContact CZ-CG 3.52Å; S352-Y355 PolarHBondContact O-N 2.8Å; S352-Y355 WeakPolarHBondContact OG-CD2 3.34Å; Y355-H357 PolarHBondContact O-N 3.45Å; Y355-H357 VanDerWaalsContact O-N 3.12Å; Y355-F358 HydrophobicContact CD1-CD2 4.25Å; Y355-F358 HydrophobicContact CD1-CE2 4.05Å; Y355-F358 WeakPolarHBondContact O-CB 3.37Å; Y355-F358 PolarHBondContact O-N 3.39Å
356Q92Very high91.6Very high120 Ų12068 Ų6856%0.56135%0.345SS*.G310 helixtrans-56-32.5-177.2-171.51781.800113.3S352 F358 T359S352-Q356 PolarHBondContact O-N 3.01Å; Q356-F358 PolarHBondContact O-N 3.15Å; Q356-T359 VanDerWaalsContact O-CB 3.26Å; Q356-T359 WeakPolarHBondContact O-CB 3.24Å; Q356-T359 PolarHBondContact O-N 3.39Å; Q356-T359 PolarHBondContact O-OG1 3.07Å
357H90.8Very high91.3Very high113 Ų11367.2 Ų67.252%0.52334%0.344SS..G310 helixtrans-61.5-22.9178.764.1-85.7000113.9E354 Y355 T359E354-H357 PolarHBondContact O-CE1 2.93Å; E354-H357 PolarHBondContact O-ND1 3.44Å; Y355-H357 PolarHBondContact O-N 3.45Å; Y355-H357 VanDerWaalsContact O-N 3.12Å; H357-T359 PolarHBondContact O-N 2.87Å
358F93.9Very high91Very high3 Ų377 Ų771%0.01337%0.37CS..G310 helixtrans-76.4-7.2175-67.5-57.4000113.7I318 W320 N323 F349 L350 Y355 Q356 E360 D361I318-F358 HydrophobicContact CG2-CE1 4.27Å; W320-F358 HydrophobicContact CB-CB 3.73Å; W320-F358 HydrophobicContact CB-CD1 3.47Å; W320-F358 VanDerWaalsContact CB-CD1 3.47Å; W320-F358 HydrophobicContact CB-CD2 4.2Å; W320-F358 HydrophobicContact CB-CE1 4.08Å; W320-F358 HydrophobicContact CB-CG 3.55Å; N323-F358 HydrophobicContact CB-CE2 3.9Å; N323-F358 HydrophobicContact CB-CZ 4.35Å; F349-F358 HydrophobicContact CE1-CD2 4.11Å; F349-F358 AromaticContact CZ-CD2 3.97Å; F349-F358 HydrophobicContact CZ-CD2 3.97Å; F349-F358 HydrophobicContact CZ-CE2 4.42Å; L350-F358 HydrophobicContact CD2-CB 3.94Å; Y355-F358 HydrophobicContact CD1-CD2 4.25Å; Y355-F358 HydrophobicContact CD1-CE2 4.05Å; Y355-F358 WeakPolarHBondContact O-CB 3.37Å; Y355-F358 PolarHBondContact O-N 3.39Å; Q356-F358 PolarHBondContact O-N 3.15Å; F358-E360 PolarHBondContact O-N 3.3Å; F358-D361 VanDerWaalsContact CD1-OD2 3.29Å; F358-D361 WeakPolarHBondContact CD1-OD2 3.35Å; F358-D361 WeakPolarHBondContact O-CB 3.3Å; F358-D361 PolarHBondContact O-N 2.93Å
359T91.9Very high90.5Very high58 Ų5881.5 Ų81.536%0.35639%0.39SS..G310 helixtrans-59.7-37.6178.6-54.80000111.4Q356 H357 D361Q356-T359 VanDerWaalsContact O-CB 3.26Å; Q356-T359 WeakPolarHBondContact O-CB 3.24Å; Q356-T359 PolarHBondContact O-N 3.39Å; Q356-T359 PolarHBondContact O-OG1 3.07Å; H357-T359 PolarHBondContact O-N 2.87Å; T359-D361 PolarHBondContact O-N 3.04Å
360E90.5Very high89.7Confident153 Ų15385.2 Ų85.272%0.71541%0.413SS*.G310 helixtrans-76.3-7.2177.4-63-61.4148.400113.3F358 R379F358-E360 PolarHBondContact O-N 3.3Å; E360-R379 PolarHBondContact O-NH2 3.37Å
361D92.4Very high89Confident11 Ų1189.5 Ų89.56%0.05944%0.436CS..G310 helixtrans-92.7-7.5179.8-65.8-17.9000112.7F358 T359 S378 R379F358-D361 VanDerWaalsContact CD1-OD2 3.29Å; F358-D361 WeakPolarHBondContact CD1-OD2 3.35Å; F358-D361 WeakPolarHBondContact O-CB 3.3Å; F358-D361 PolarHBondContact O-N 2.93Å; T359-D361 PolarHBondContact O-N 3.04Å; D361-S378 CarbonylContact O-C 3.41Å; D361-S378 WeakPolarHBondContact O-CA 3.39Å; D361-S378 WeakPolarHBondContact O-CB 3.24Å; D361-R379 HydrophobicContact CB-CG 3.93Å; D361-R379 PolarHBondContact O-N 2.93Å; D361-R379 IonicContact OD1-CZ 2.85Å; D361-R379 IonicContact OD1-NE 2.65Å; D361-R379 PolarHBondContact OD1-NE 2.85Å; D361-R379 IonicContact OD1-NH2 3.51Å; D361-R379 PolarHBondContact OD1-NH2 3.23Å
362I94.3Very high88.6Confident7 Ų784.1 Ų84.14%0.03642%0.419CS..EExtended strand (participates in β ladder)trans-132.4124.2-174.5-47177000110.4W320 L345 L350 F364 I375W320-I362 HydrophobicContact CB-CD1 4.39Å; W320-I362 HydrophobicContact CD2-CD1 3.37Å; W320-I362 HydrophobicContact CD2-CG1 3.85Å; W320-I362 HydrophobicContact CE3-CD1 3.45Å; W320-I362 VanDerWaalsContact CE3-CD1 3.45Å; W320-I362 HydrophobicContact CE3-CG1 4.41Å; W320-I362 HydrophobicContact CG-CD1 3.81Å; W320-I362 HydrophobicContact CG-CG1 3.99Å; W320-I362 HydrophobicContact CH2-CD1 4.18Å; W320-I362 HydrophobicContact CZ2-CD1 4.11Å; W320-I362 HydrophobicContact CZ2-CG1 4.3Å; W320-I362 HydrophobicContact CZ3-CD1 3.87Å; L345-I362 HydrophobicContact CD1-CD1 4.19Å; L345-I362 HydrophobicContact CD2-CD1 4.02Å; L345-I362 HydrophobicContact CG-CD1 4.44Å; L350-I362 HydrophobicContact CD1-CD1 4.45Å; I362-F364 HydrophobicContact CB-CE2 3.88Å; I362-F364 HydrophobicContact CB-CZ 4.07Å; I362-F364 HydrophobicContact CD1-CZ 4.4Å; I362-F364 HydrophobicContact CG2-CD1 4.44Å; I362-F364 HydrophobicContact CG2-CD2 4.23Å; I362-F364 HydrophobicContact CG2-CE1 3.91Å; I362-F364 HydrophobicContact CG2-CE2 3.66Å; I362-F364 HydrophobicContact CG2-CZ 3.48Å; I362-F364 VanDerWaalsContact CG2-CZ 3.48Å; I362-I375 HydrophobicContact CG2-CD1 4.33Å; I362-I375 HydrophobicContact CG2-CG1 4.1Å; I362-I375 HydrophobicContact CG2-CG2 3.74Å
363I94.1Very high88.3Confident100 Ų10086.4 Ų86.451%0.51342%0.424SS..EExtended strand (participates in β ladder)trans-101.6116.3176.2-61.9177000109.4I376 A377I363-I376 HydrophobicContact CG2-CD1 4.32Å; I363-I376 PolarHBondContact O-N 3.24Å; I363-A377 HydrophobicContact CB-CB 4.39Å; I363-A377 HydrophobicContact CD1-CB 4.32Å; I363-A377 PolarHBondContact N-O 2.99Å
364F92Very high88.1Confident49 Ų4983 Ų8322%0.21540%0.4CS..EExtended strand (participates in β ladder)trans-96.7129.2176.3-60.2-84.4000111.3I342 L345 L350 I362 Y373 D374 I375I342-F364 HydrophobicContact CG2-CE1 4.47Å; L345-F364 HydrophobicContact CD2-CE1 3.98Å; L345-F364 HydrophobicContact CD2-CZ 3.82Å; L345-F364 HydrophobicContact CG-CZ 4.23Å; L350-F364 HydrophobicContact CD1-CE2 3.68Å; L350-F364 HydrophobicContact CD1-CZ 3.78Å; I362-F364 HydrophobicContact CB-CE2 3.88Å; I362-F364 HydrophobicContact CB-CZ 4.07Å; I362-F364 HydrophobicContact CD1-CZ 4.4Å; I362-F364 HydrophobicContact CG2-CD1 4.44Å; I362-F364 HydrophobicContact CG2-CD2 4.23Å; I362-F364 HydrophobicContact CG2-CE1 3.91Å; I362-F364 HydrophobicContact CG2-CE2 3.66Å; I362-F364 HydrophobicContact CG2-CZ 3.48Å; I362-F364 VanDerWaalsContact CG2-CZ 3.48Å; F364-Y373 HydrophobicContact CB-CD1 4.38Å; F364-D374 CarbonylContact C-O 3.58Å; F364-D374 VanDerWaalsContact CA-O 3.29Å; F364-D374 WeakPolarHBondContact CA-O 3.25Å; F364-I375 HydrophobicContact CD1-CG1 3.96Å; F364-I375 HydrophobicContact CE1-CD1 4.28Å; F364-I375 HydrophobicContact CE1-CG1 3.77Å
365S90.6Very high88.2Confident44 Ų4476.6 Ų76.631%0.30837%0.37SS..EExtended strand (participates in β ladder)trans-90.1150.1160.6-149.80000109.9Y373 D374S365-Y373 CarbonylContact O-C 3.34Å; S365-Y373 WeakPolarHBondContact O-CA 3.43Å; S365-Y373 WeakPolarHBondContact O-CD1 3.35Å; S365-D374 PolarHBondContact N-O 3.3Å; S365-D374 PolarHBondContact O-N 3.32Å
366K87.5Confident88.1Confident89 Ų8978.4 Ų78.439%0.38738%0.381SS..EExtended strand (participates in β ladder)trans-103.2121160.8-163.5-179.4-167.6-164.60109R368 D371 Y373K366-R368 PolarHBondContact O-N 2.81Å; K366-D371 WeakPolarHBondContact CE-O 3.45Å; K366-D371 WeakPolarHBondContact CE-OD1 3.49Å; K366-D371 WeakPolarHBondContact CE-OD2 3.21Å; K366-D371 IonicContact NZ-OD1 2.77Å; K366-D371 PolarHBondContact NZ-OD1 3.09Å; K366-D371 IonicContact NZ-OD2 3.23Å; K366-D371 PolarHBondContact NZ-OD2 3.48Å; K366-Y373 HydrophobicContact CB-CD1 3.99Å; K366-Y373 HydrophobicContact CB-CE1 3.74Å; K366-Y373 HydrophobicContact CD-CE1 4.05Å; K366-Y373 HydrophobicContact CG-CD1 4.17Å; K366-Y373 HydrophobicContact CG-CE1 3.81Å
367N84.1Confident88.2Confident56 Ų5673.8 Ų73.830%0.29936%0.363SS..PPolyproline II helixtrans-75117.2173.5-169.6-26000109.1N369 T370 D371 E372N367-N369 PolarHBondContact O-N 3.36Å; N367-N369 PolarHBondContact OD1-N 2.91Å; N367-N369 VanDerWaalsContact OD1-N 3.13Å; N367-T370 WeakPolarHBondContact CB-OG1 3.38Å; N367-D371 WeakPolarHBondContact O-CA 3.32Å; N367-D371 PolarHBondContact O-N 3.03Å; N367-E372 PolarHBondContact N-O 3.47Å
368R81.9Confident88.3Confident237 Ų23768.7 Ų68.789%0.89434%0.34SS*.THydrogen-bonded Turntrans-66.3-22.2-175.6-66.1-178.1-179.2-179.4-0.2113.3K366K366-R368 PolarHBondContact O-N 2.81Å
369N80.1Confident88.3Confident153 Ų15371.7 Ų71.782%0.81835%0.352SS*.THydrogen-bonded Turntrans-89.7-33.7-174.6-64.9-8.1000112.6N367N367-N369 PolarHBondContact O-N 3.36Å; N367-N369 PolarHBondContact OD1-N 2.91Å; N367-N369 VanDerWaalsContact OD1-N 3.13Å
370T76.1Confident88.3Confident77 Ų7769.1 Ų69.147%0.47234%0.336SS..THydrogen-bonded Turntrans-109-5.1-17655.60000113.2N367 E372N367-T370 WeakPolarHBondContact CB-OG1 3.38Å; T370-E372 PolarHBondContact O-N 3.42Å
371D79.5Confident88.4Confident103 Ų10364.6 Ų64.655%0.55131%0.313SS*.  trans56.65.7-170.7-142.555.7000115K366 N367K366-D371 WeakPolarHBondContact CE-O 3.45Å; K366-D371 WeakPolarHBondContact CE-OD1 3.49Å; K366-D371 WeakPolarHBondContact CE-OD2 3.21Å; K366-D371 IonicContact NZ-OD1 2.77Å; K366-D371 PolarHBondContact NZ-OD1 3.09Å; K366-D371 IonicContact NZ-OD2 3.23Å; K366-D371 PolarHBondContact NZ-OD2 3.48Å; N367-D371 WeakPolarHBondContact O-CA 3.32Å; N367-D371 PolarHBondContact O-N 3.03Å
372E83Confident88.3Confident84 Ų8464.1 Ų64.139%0.39331%0.31SS..  trans-78154.8177.8-66.7-173.7170.500111.8K338 N367 T370K338-E372 IonicContact NZ-OE2 3.42Å; K338-E372 PolarHBondContact NZ-OE2 3.2Å; N367-E372 PolarHBondContact N-O 3.47Å; T370-E372 PolarHBondContact O-N 3.42Å
373Y86.3Confident88Confident73 Ų7364.7 Ų64.729%0.28631%0.314SS..EExtended strand (participates in β ladder)trans-95.3143.3170.4-68.2-86.5000110.2I342 K346 F364 S365 K366I342-Y373 WeakPolarHBondContact CD1-O 3.47Å; K346-Y373 PolarHBondContact NZ-OH 3.14Å; F364-Y373 HydrophobicContact CB-CD1 4.38Å; S365-Y373 CarbonylContact O-C 3.34Å; S365-Y373 WeakPolarHBondContact O-CA 3.43Å; S365-Y373 WeakPolarHBondContact O-CD1 3.35Å; K366-Y373 HydrophobicContact CB-CD1 3.99Å; K366-Y373 HydrophobicContact CB-CE1 3.74Å; K366-Y373 HydrophobicContact CD-CE1 4.05Å; K366-Y373 HydrophobicContact CG-CD1 4.17Å; K366-Y373 HydrophobicContact CG-CE1 3.81Å
374D87.3Confident87.5Confident41 Ų4160.5 Ų60.522%0.21929%0.294CS..EExtended strand (participates in β ladder)trans-122.1145.5174.3-69.9-44.4000109.4K338 F364 S365K338-D374 WeakPolarHBondContact CE-OD1 3.42Å; K338-D374 IonicContact NZ-OD1 2.73Å; K338-D374 PolarHBondContact NZ-OD1 2.84Å; F364-D374 CarbonylContact C-O 3.58Å; F364-D374 VanDerWaalsContact CA-O 3.29Å; F364-D374 WeakPolarHBondContact CA-O 3.25Å; S365-D374 PolarHBondContact N-O 3.3Å; S365-D374 PolarHBondContact O-N 3.32Å
375I91.2Very high86.9Confident7 Ų768.1 Ų68.14%0.03632%0.321CS..EExtended strand (participates in β ladder)trans-88.8109172-60.2169000107.3P296 Y299 W320 F341 L345 I362 F364P296-I375 WeakPolarHBondContact CA-O 3.41Å; P296-I375 WeakPolarHBondContact CB-O 3.4Å; Y299-I375 HydrophobicContact CD2-CB 4.37Å; Y299-I375 HydrophobicContact CD2-CD1 3.69Å; Y299-I375 HydrophobicContact CD2-CG2 4.36Å; Y299-I375 HydrophobicContact CE2-CB 4.03Å; Y299-I375 HydrophobicContact CE2-CD1 4.04Å; Y299-I375 HydrophobicContact CE2-CG2 3.62Å; W320-I375 HydrophobicContact CH2-CD1 4.29Å; F341-I375 HydrophobicContact CE1-CD1 4.23Å; L345-I375 HydrophobicContact CD2-CD1 4.02Å; I362-I375 HydrophobicContact CG2-CD1 4.33Å; I362-I375 HydrophobicContact CG2-CG1 4.1Å; I362-I375 HydrophobicContact CG2-CG2 3.74Å; F364-I375 HydrophobicContact CD1-CG1 3.96Å; F364-I375 HydrophobicContact CE1-CD1 4.28Å; F364-I375 HydrophobicContact CE1-CG1 3.77Å
376I91.8Very high86Confident69 Ų6966.7 Ų66.735%0.35431%0.311SS..EExtended strand (participates in β ladder)trans-81.4-40.6-178.2-56.6162.9000110.6E295 I363E295-I376 CarbonylContact C-O 3.55Å; I363-I376 HydrophobicContact CG2-CD1 4.32Å; I363-I376 PolarHBondContact O-N 3.24Å
377A93Very high84.9Confident22 Ų2266.9 Ų66.918%0.18232%0.32CS..EExtended strand (participates in β ladder)trans-149.5150.2-177.800000109.3I293 I363I293-A377 CarbonylContact O-C 3.49Å; I293-A377 WeakPolarHBondContact O-CA 3.47Å; I293-A377 WeakPolarHBondContact O-CB 3.36Å; I363-A377 HydrophobicContact CB-CB 4.39Å; I363-A377 HydrophobicContact CD1-CB 4.32Å; I363-A377 PolarHBondContact N-O 2.99Å
378S94.1Very high83.7Confident6 Ų673 Ų734%0.04235%0.346CS..EExtended strand (participates in β ladder)trans-146.3163.7166.976.70000110.6I293 Y299 D361I293-S378 PolarHBondContact N-O 3.26Å; I293-S378 PolarHBondContact O-N 3.34Å; Y299-S378 PolarHBondContact OH-OG 2.8Å; D361-S378 CarbonylContact O-C 3.41Å; D361-S378 WeakPolarHBondContact O-CA 3.39Å; D361-S378 WeakPolarHBondContact O-CB 3.24Å
379R93.5Very high82.4Confident66 Ų6668.2 Ų68.225%0.24933%0.332CS..EExtended strand (participates in β ladder)trans-126.9153.3173.668.5-177.5-172.8-156.2-4.6111.7F291 Y292 W320 E360 D361 Y381F291-R379 CarbonylContact O-C 3.47Å; F291-R379 VanDerWaalsContact O-CA 3.22Å; F291-R379 WeakPolarHBondContact O-CA 3.09Å; Y292-R379 HydrophobicContact CD1-CB 3.75Å; Y292-R379 HydrophobicContact CE1-CB 4.01Å; Y292-R379 HydrophobicContact CG-CB 4.42Å; W320-R379 VanDerWaalsContact CD1-O 3.28Å; E360-R379 PolarHBondContact O-NH2 3.37Å; D361-R379 HydrophobicContact CB-CG 3.93Å; D361-R379 PolarHBondContact O-N 2.93Å; D361-R379 IonicContact OD1-CZ 2.85Å; D361-R379 IonicContact OD1-NE 2.65Å; D361-R379 PolarHBondContact OD1-NE 2.85Å; D361-R379 IonicContact OD1-NH2 3.51Å; D361-R379 PolarHBondContact OD1-NH2 3.23Å; R379-Y381 VanDerWaalsContact CZ-OH 3.25Å; R379-Y381 PolarHBondContact NE-OH 2.75Å
380M92.3Very high81.7Confident4 Ų464 Ų642%0.0231%0.306CS..EExtended strand (participates in β ladder)trans-134.6150.5166.763.9-176.471.200109.2F291 I293 L308 L382F291-M380 HydrophobicContact CB-CG 3.73Å; F291-M380 PolarHBondContact N-O 3.47Å; F291-M380 PolarHBondContact O-N 3.48Å; I293-M380 HydrophobicContact CD1-CE 4.06Å; L308-M380 HydrophobicContact CD2-CE 4.21Å; M380-L382 HydrophobicContact CG-CD2 4.47Å; M380-L382 HydrophobicContact CG-CG 4.49Å; M380-L382 HydrophobicContact SD-CD2 4.4Å
381Y91.9Very high81.2Confident59 Ų5963.6 Ų63.623%0.23130%0.296CS..EExtended strand (participates in β ladder)trans-103126.2178-65.9-71.1000110.2V288 I289 I318 R379V288-Y381 HydrophobicContact CG1-CD1 3.58Å; V288-Y381 HydrophobicContact CG1-CE1 4.46Å; V288-Y381 HydrophobicContact CG1-CG 3.86Å; I289-Y381 WeakPolarHBondContact O-CA 3.2Å; I318-Y381 PolarHBondContact N-O 3.33Å; I318-Y381 PolarHBondContact O-N 2.89Å; R379-Y381 VanDerWaalsContact CZ-OH 3.25Å; R379-Y381 PolarHBondContact NE-OH 2.75Å
382L90.1Very high80.7Confident0 Ų063.9 Ų63.90%029%0.294CS..EExtended strand (participates in β ladder)trans-116.2137.3177.8-58.5-170.1000109.6I289 F291 F315 N316 K317 M380I289-L382 WeakPolarHBondContact CB-O 3.47Å; I289-L382 PolarHBondContact N-O 3.32Å; I289-L382 PolarHBondContact O-N 3.41Å; F291-L382 HydrophobicContact CD1-CD1 3.89Å; F291-L382 HydrophobicContact CD2-CB 3.88Å; F291-L382 HydrophobicContact CD2-CD1 3.57Å; F291-L382 HydrophobicContact CD2-CG 3.67Å; F291-L382 HydrophobicContact CE1-CD1 3.82Å; F291-L382 HydrophobicContact CE2-CB 3.81Å; F291-L382 HydrophobicContact CE2-CD1 3.53Å; F291-L382 HydrophobicContact CE2-CG 3.93Å; F291-L382 HydrophobicContact CG-CD1 3.77Å; F291-L382 HydrophobicContact CG-CG 4.11Å; F291-L382 HydrophobicContact CZ-CD1 3.65Å; F315-L382 HydrophobicContact CB-CB 3.98Å; F315-L382 HydrophobicContact CB-CD1 4.35Å; F315-L382 HydrophobicContact CB-CD2 4.23Å; F315-L382 HydrophobicContact CB-CG 4.43Å; F315-L382 HydrophobicContact CD1-CB 3.88Å; F315-L382 HydrophobicContact CD2-CD1 4.17Å; F315-L382 HydrophobicContact CG-CB 4Å; F315-L382 HydrophobicContact CG-CD1 4.14Å; N316-L382 WeakPolarHBondContact O-CA 3.39Å; K317-L382 HydrophobicContact CB-CD2 3.97Å; K317-L382 HydrophobicContact CD-CD2 4.36Å; K317-L382 HydrophobicContact CG-CD2 3.74Å; M380-L382 HydrophobicContact CG-CD2 4.47Å; M380-L382 HydrophobicContact CG-CG 4.49Å; M380-L382 HydrophobicContact SD-CD2 4.4Å
383V87.8Confident80.2Confident19 Ų1962.3 Ų62.312%0.11529%0.287CS..EExtended strand (participates in β ladder)trans-124.7118.3178.1-176.90000108.2Y285 V288 N316Y285-V383 HydrophobicContact CD1-CG1 3.83Å; Y285-V383 HydrophobicContact CG-CG1 4.1Å; V288-V383 HydrophobicContact CB-CG2 4.43Å; V288-V383 HydrophobicContact CG1-CG2 4.29Å; V288-V383 HydrophobicContact CG2-CG2 4.06Å; N316-V383 HydrophobicContact CB-CB 4.24Å; N316-V383 PolarHBondContact N-O 3.43Å; N316-V383 PolarHBondContact O-N 3.25Å
384A83.7Confident79.7Confident13 Ų1359 Ų5911%0.10727%0.274CS..  trans-83.6144.3174.100000109.9Y285 S286 F315 L397Y285-A384 WeakPolarHBondContact CA-O 3.2Å; S286-A384 PolarHBondContact N-O 3.41Å; S286-A384 PolarHBondContact OG-N 3.45Å; F315-A384 HydrophobicContact CD1-CB 3.92Å; F315-A384 HydrophobicContact CE1-CB 3.84Å; A384-L397 HydrophobicContact CB-CD2 3.73Å
385R79.5Confident79.1Confident208 Ų20857.9 Ų57.979%0.78527%0.269SS*.BIsolated β-bridgetrans-82.4127.5168.8-172.9176.2176.5170-1.8108.6
386T70.7Confident78.5Confident14 Ų1462.3 Ų62.39%0.08629%0.29CS..  trans-108154.4-179.148.30000110.4S283 N284 Y285 E393 V394S283-T386 PolarHBondContact O-OG1 2.78Å; N284-T386 PolarHBondContact O-N 3.02Å; N284-T386 VanDerWaalsContact O-N 3.14Å; N284-T386 PolarHBondContact O-OG1 3.38Å; Y285-T386 PolarHBondContact N-OG1 2.68Å; T386-E393 WeakPolarHBondContact CA-OE2 3.04Å; T386-V394 HydrophobicContact CG2-CG2 4.13Å
387T66.4Low78Confident94 Ų9460.5 Ų60.558%0.57728%0.28SS*.  trans-98.7-168.1171.6880000111.2K389 E393T387-K389 PolarHBondContact O-N 3.05Å; T387-K389 VanDerWaalsContact O-N 3.13Å; T387-E393 WeakPolarHBondContact CB-OE1 3.46Å; T387-E393 PolarHBondContact N-OE2 2.68Å; T387-E393 PolarHBondContact OG1-OE1 3Å
388E58.1Low77.5Confident183 Ų18359.9 Ų59.986%0.85527%0.274SS*.SBendtrans-60.9-20.9-174.9-69.5-166.1153.700114K390E388-K390 VanDerWaalsContact C-N 3.29Å; E388-K390 WeakPolarHBondContact O-CG 3.41Å; E388-K390 PolarHBondContact O-N 2.82Å; E388-K390 VanDerWaalsContact O-N 3.08Å
389K55.4Low76.9Confident138 Ų13863 Ų6360%0.629%0.288SS*.  trans-86.964174.8-72.3-167.6172.7-1640112.8T387 R391 E392 E393T387-K389 PolarHBondContact O-N 3.05Å; T387-K389 VanDerWaalsContact O-N 3.13Å; K389-R391 VanDerWaalsContact C-N 3.32Å; K389-R391 PolarHBondContact O-N 3.02Å; K389-E392 IonicContact NZ-OE2 2.67Å; K389-E393 HydrophobicContact CB-CG 4.39Å; K389-E393 VanDerWaalsContact O-CG 3.31Å; K389-E393 WeakPolarHBondContact O-CG 3.23Å; K389-E393 PolarHBondContact O-N 3.19Å
390K64.4Low76.5Confident63 Ų6365.7 Ų65.727%0.27430%0.301SS..THydrogen-bonded Turntrans-56.8-22.3-164.3-63.6156.7-175.1-157.70118Q279 K280 S283 E388 V394Q279-K390 PolarHBondContact O-NZ 3.38Å; K280-K390 PolarHBondContact O-NZ 3.26Å; S283-K390 VanDerWaalsContact CB-CD 3.47Å; S283-K390 WeakPolarHBondContact OG-CD 3.37Å; S283-K390 WeakPolarHBondContact OG-CE 3.21Å; S283-K390 PolarHBondContact OG-NZ 3.2Å; E388-K390 VanDerWaalsContact C-N 3.29Å; E388-K390 WeakPolarHBondContact O-CG 3.41Å; E388-K390 PolarHBondContact O-N 2.82Å; E388-K390 VanDerWaalsContact O-N 3.08Å; K390-V394 WeakPolarHBondContact O-CG2 3.44Å
391R64.6Low76.2Confident70 Ų7065.8 Ų65.826%0.26430%0.302SS..THydrogen-bonded Turntrans-112.3-44-172.3-171.5179.1-69.3179-1.4113.1N260 K389 E393 V394 V395N260-R391 VanDerWaalsContact CG-NH2 3.32Å; N260-R391 PolarHBondContact OD1-NH2 2.82Å; K389-R391 VanDerWaalsContact C-N 3.32Å; K389-R391 PolarHBondContact O-N 3.02Å; R391-E393 VanDerWaalsContact C-N 3.29Å; R391-E393 PolarHBondContact O-N 3.36Å; R391-V394 PolarHBondContact O-N 2.84Å; R391-V395 WeakPolarHBondContact O-CG2 3.38Å; R391-V395 PolarHBondContact O-N 3.14Å; R391-V395 VanDerWaalsContact O-N 3.1Å
392E69.3Low76Confident109 Ų10966.7 Ų66.751%0.50931%0.305SS..Hα-helixtrans-59.3-42.2175.7-67.9171.2-176.400110.8K389 V394 V395 E396K389-E392 IonicContact NZ-OE2 2.67Å; E392-V394 VanDerWaalsContact C-N 3.32Å; E392-V394 PolarHBondContact O-N 3.43Å; E392-V395 PolarHBondContact O-N 3.05Å; E392-E396 WeakPolarHBondContact O-CB 3.25Å; E392-E396 PolarHBondContact O-N 2.93Å
393E73.6Confident75.8Confident50 Ų5069.5 Ų69.523%0.23432%0.323CS..Hα-helixtrans-62.7-35.6177.4-71.4176.3-170.900113.1T386 T387 K389 R391 L397T386-E393 WeakPolarHBondContact CA-OE2 3.04Å; T387-E393 WeakPolarHBondContact CB-OE1 3.46Å; T387-E393 PolarHBondContact N-OE2 2.68Å; T387-E393 PolarHBondContact OG1-OE1 3Å; K389-E393 HydrophobicContact CB-CG 4.39Å; K389-E393 VanDerWaalsContact O-CG 3.31Å; K389-E393 WeakPolarHBondContact O-CG 3.23Å; K389-E393 PolarHBondContact O-N 3.19Å; R391-E393 VanDerWaalsContact C-N 3.29Å; R391-E393 PolarHBondContact O-N 3.36Å; E393-L397 WeakPolarHBondContact O-CB 3.45Å; E393-L397 PolarHBondContact O-N 3.44Å
394V74.9Confident75.7Confident3 Ų372.3 Ų72.32%0.01834%0.338CS..Hα-helixtrans-74.3-35.1178.7-176.10000110.8T386 K390 R391 E392 L397 L398 F419 M422T386-V394 HydrophobicContact CG2-CG2 4.13Å; K390-V394 WeakPolarHBondContact O-CG2 3.44Å; R391-V394 PolarHBondContact O-N 2.84Å; E392-V394 VanDerWaalsContact C-N 3.32Å; E392-V394 PolarHBondContact O-N 3.43Å; V394-L397 PolarHBondContact O-N 3.4Å; V394-L398 WeakPolarHBondContact O-CB 3.22Å; V394-L398 PolarHBondContact O-N 3.25Å; V394-F419 HydrophobicContact CG1-CE1 4.17Å; V394-M422 HydrophobicContact CB-CE 4.05Å; V394-M422 HydrophobicContact CB-SD 4.26Å; V394-M422 HydrophobicContact CG1-CE 3.68Å; V394-M422 HydrophobicContact CG1-SD 3.54Å; V394-M422 VanDerWaalsContact CG1-SD 3.54Å
395V75.3Confident75.7Confident19 Ų1973.7 Ų73.712%0.11534%0.342CS..Hα-helixtrans-66.1-46.3171.8174.80000110.1R391 E392 L397 L398 E399 M422 Y425R391-V395 WeakPolarHBondContact O-CG2 3.38Å; R391-V395 PolarHBondContact O-N 3.14Å; R391-V395 VanDerWaalsContact O-N 3.1Å; E392-V395 PolarHBondContact O-N 3.05Å; V395-L397 VanDerWaalsContact C-N 3.3Å; V395-L397 PolarHBondContact O-N 3.02Å; V395-L398 WeakPolarHBondContact O-CB 3.37Å; V395-L398 PolarHBondContact O-N 3.12Å; V395-L398 VanDerWaalsContact O-N 3.11Å; V395-E399 HydrophobicContact CG1-CG 4.45Å; V395-E399 WeakPolarHBondContact O-CG 3.45Å; V395-E399 PolarHBondContact O-N 3.36Å; V395-M422 HydrophobicContact CG2-CB 4.5Å; V395-Y425 HydrophobicContact CG2-CD1 4.09Å
396E78.7Confident75.8Confident99 Ų9971 Ų7146%0.46334%0.343SS..Hα-helixtrans-60.4-41.1176-170.9-172.4163.400111.7E392 L398 E399 K400E392-E396 WeakPolarHBondContact O-CB 3.25Å; E392-E396 PolarHBondContact O-N 2.93Å; E396-L398 VanDerWaalsContact C-N 3.35Å; E396-E399 PolarHBondContact O-N 2.97Å; E396-K400 WeakPolarHBondContact O-CG 3.03Å; E396-K400 PolarHBondContact O-N 3.19Å; E396-K400 WeakPolarHBondContact OE1-CE 3.5Å; E396-K400 IonicContact OE1-NZ 3.63Å; E396-K400 PolarHBondContact OE1-NZ 3.12Å
397L81.8Confident76.1Confident31 Ų3177.2 Ų77.216%0.16237%0.374CS..Hα-helixtrans-58.5-46.9172.9176.263.9000111.1I289 F315 A384 E393 V394 V395 K400 L401I289-L397 HydrophobicContact CD1-CD2 3.65Å; F315-L397 HydrophobicContact CE1-CD1 4.1Å; F315-L397 HydrophobicContact CE1-CD2 4.35Å; F315-L397 HydrophobicContact CZ-CD1 3.87Å; A384-L397 HydrophobicContact CB-CD2 3.73Å; E393-L397 WeakPolarHBondContact O-CB 3.45Å; E393-L397 PolarHBondContact O-N 3.44Å; V394-L397 PolarHBondContact O-N 3.4Å; V395-L397 VanDerWaalsContact C-N 3.3Å; V395-L397 PolarHBondContact O-N 3.02Å; L397-K400 PolarHBondContact O-N 3.23Å; L397-L401 HydrophobicContact CD1-CD1 4.14Å; L397-L401 HydrophobicContact CD1-CG 4.22Å; L397-L401 HydrophobicContact CG-CD1 4.04Å; L397-L401 HydrophobicContact CG-CG 4.48Å; L397-L401 WeakPolarHBondContact O-CB 3.4Å; L397-L401 VanDerWaalsContact O-CG 3.28Å; L397-L401 WeakPolarHBondContact O-CG 3.22Å; L397-L401 PolarHBondContact O-N 3.2Å
398L81.4Confident76.6Confident9 Ų975.6 Ų75.65%0.04736%0.361CS..Hα-helixtrans-62.5-44.9177.8-175.359.9000111.6V394 V395 E396 K400 L401 R402 F419 D423V394-L398 WeakPolarHBondContact O-CB 3.22Å; V394-L398 PolarHBondContact O-N 3.25Å; V395-L398 WeakPolarHBondContact O-CB 3.37Å; V395-L398 PolarHBondContact O-N 3.12Å; V395-L398 VanDerWaalsContact O-N 3.11Å; E396-L398 VanDerWaalsContact C-N 3.35Å; L398-K400 VanDerWaalsContact C-N 3.28Å; L398-K400 PolarHBondContact O-N 3.35Å; L398-L401 PolarHBondContact O-N 2.96Å; L398-L401 VanDerWaalsContact O-N 3.16Å; L398-R402 WeakPolarHBondContact O-CG 3.38Å; L398-R402 PolarHBondContact O-N 3.11Å; L398-F419 HydrophobicContact CD1-CD2 3.69Å; L398-F419 HydrophobicContact CD1-CE2 3.72Å; L398-F419 HydrophobicContact CD1-CG 4.25Å; L398-F419 HydrophobicContact CD1-CZ 4.3Å; L398-F419 HydrophobicContact CD2-CB 4.32Å; L398-F419 HydrophobicContact CD2-CD1 4.5Å; L398-F419 HydrophobicContact CD2-CD2 4.47Å; L398-F419 HydrophobicContact CD2-CG 4.22Å; L398-D423 WeakPolarHBondContact CD2-OD1 3.39Å
399E82.4Confident77.6Confident73 Ų7370.7 Ų70.734%0.34135%0.347SS..Hα-helixtrans-60.2-37175.8-67.8-62.6161.800112V395 E396 R402 P403 S426V395-E399 HydrophobicContact CG1-CG 4.45Å; V395-E399 WeakPolarHBondContact O-CG 3.45Å; V395-E399 PolarHBondContact O-N 3.36Å; E396-E399 PolarHBondContact O-N 2.97Å; E399-R402 IonicContact OE1-CZ 2.7Å; E399-R402 IonicContact OE1-NH1 3.96Å; E399-R402 PolarHBondContact OE1-NH1 3.29Å; E399-R402 IonicContact OE1-NH2 2.85Å; E399-R402 IonicContact OE2-CZ 2.83Å; E399-R402 IonicContact OE2-NH1 3.14Å; E399-R402 PolarHBondContact OE2-NH1 2.83Å; E399-P403 WeakPolarHBondContact O-CD 3.48Å; E399-S426 PolarHBondContact OE1-OG 2.95Å
400K85.2Confident79Confident121 Ų12164.6 Ų64.653%0.52632%0.321SS..Hα-helixtrans-72.6-33.3174.6-73.9177.8-175.2168.50113.3E396 L397 L398 P403E396-K400 WeakPolarHBondContact O-CG 3.03Å; E396-K400 PolarHBondContact O-N 3.19Å; E396-K400 WeakPolarHBondContact OE1-CE 3.5Å; E396-K400 IonicContact OE1-NZ 3.63Å; E396-K400 PolarHBondContact OE1-NZ 3.12Å; L397-K400 PolarHBondContact O-N 3.23Å; L398-K400 VanDerWaalsContact C-N 3.28Å; L398-K400 PolarHBondContact O-N 3.35Å; K400-P403 WeakPolarHBondContact O-CD 3.3Å; K400-P403 WeakPolarHBondContact O-CG 3.23Å
401L85.7Confident80.1Confident7 Ų765.8 Ų65.84%0.03733%0.327CS..Hα-helixtrans-74.2-33.1179.2-72.9175.4000112.7I289 F291 F315 L397 L398 L404 M405 A414I289-L401 HydrophobicContact CD1-CD1 4.36Å; F291-L401 HydrophobicContact CE1-CD2 4.22Å; F291-L401 HydrophobicContact CE2-CD1 4.46Å; F291-L401 HydrophobicContact CZ-CD1 4Å; F291-L401 HydrophobicContact CZ-CD2 3.75Å; F315-L401 HydrophobicContact CZ-CD2 4.41Å; L397-L401 HydrophobicContact CD1-CD1 4.14Å; L397-L401 HydrophobicContact CD1-CG 4.22Å; L397-L401 HydrophobicContact CG-CD1 4.04Å; L397-L401 HydrophobicContact CG-CG 4.48Å; L397-L401 WeakPolarHBondContact O-CB 3.4Å; L397-L401 VanDerWaalsContact O-CG 3.28Å; L397-L401 WeakPolarHBondContact O-CG 3.22Å; L397-L401 PolarHBondContact O-N 3.2Å; L398-L401 PolarHBondContact O-N 2.96Å; L398-L401 VanDerWaalsContact O-N 3.16Å; L401-L404 HydrophobicContact CD2-CD1 4.36Å; L401-L404 WeakPolarHBondContact O-CB 2.96Å; L401-L404 PolarHBondContact O-N 3.15Å; L401-L404 VanDerWaalsContact O-N 3.12Å; L401-M405 WeakPolarHBondContact O-CG 3.41Å; L401-M405 PolarHBondContact O-N 3.19Å; L401-A414 HydrophobicContact CD1-CB 4.11Å
402R86.1Confident81.3Confident77 Ų7762.5 Ų62.529%0.29131%0.314SS..Hα-helixtrans-54.3-50.4-180-76.4179.2-167.2152.44.6115.1L398 E399 L404 M405 D423L398-R402 WeakPolarHBondContact O-CG 3.38Å; L398-R402 PolarHBondContact O-N 3.11Å; E399-R402 IonicContact OE1-CZ 2.7Å; E399-R402 IonicContact OE1-NH1 3.96Å; E399-R402 PolarHBondContact OE1-NH1 3.29Å; E399-R402 IonicContact OE1-NH2 2.85Å; E399-R402 IonicContact OE2-CZ 2.83Å; E399-R402 IonicContact OE2-NH1 3.14Å; E399-R402 PolarHBondContact OE2-NH1 2.83Å; R402-L404 VanDerWaalsContact C-N 3.26Å; R402-L404 PolarHBondContact O-N 3.11Å; R402-M405 WeakPolarHBondContact O-CB 2.99Å; R402-M405 PolarHBondContact O-N 3.36Å; R402-D423 IonicContact CZ-OD1 3.67Å; R402-D423 IonicContact NH2-OD1 3.77Å; R402-D423 PolarHBondContact NH2-OD1 3.06Å
403P86.7Confident82.4Confident59 Ų5960.9 Ų60.938%0.38331%0.308SS..Hα-helixtrans-65.5-32.8177.425.5-34.3000111.8E399 K400 M405 L406 I407E399-P403 WeakPolarHBondContact O-CD 3.48Å; K400-P403 WeakPolarHBondContact O-CD 3.3Å; K400-P403 WeakPolarHBondContact O-CG 3.23Å; P403-M405 VanDerWaalsContact C-N 3.28Å; P403-M405 PolarHBondContact O-N 3.24Å; P403-L406 PolarHBondContact O-N 3.05Å; P403-L406 VanDerWaalsContact O-N 3.14Å; P403-I407 HydrophobicContact CB-CD1 4.33Å; P403-I407 WeakPolarHBondContact O-CG1 3.39Å; P403-I407 PolarHBondContact O-N 2.64Å
404L85.4Confident83.1Confident79 Ų7958.9 Ų58.941%0.41430%0.3SS..Hα-helixtrans-66.5-30.1175.9-61.1176.4000112.1L401 R402 L406 N408 F412L401-L404 HydrophobicContact CD2-CD1 4.36Å; L401-L404 WeakPolarHBondContact O-CB 2.96Å; L401-L404 PolarHBondContact O-N 3.15Å; L401-L404 VanDerWaalsContact O-N 3.12Å; R402-L404 VanDerWaalsContact C-N 3.26Å; R402-L404 PolarHBondContact O-N 3.11Å; L404-L406 VanDerWaalsContact C-N 3.25Å; L404-L406 PolarHBondContact O-N 3.04Å; L404-N408 WeakPolarHBondContact O-CB 2.88Å; L404-F412 HydrophobicContact CB-CZ 4.06Å; L404-F412 VanDerWaalsContact O-CE1 3.31Å; L404-F412 WeakPolarHBondContact O-CE1 3.4Å
405M85.1Confident83.8Confident42 Ų4262.7 Ų62.721%0.20732%0.317CS..Hα-helixtrans-68.3-23.8174.1-68.9167.746.600113L401 R402 P403 F412 I413 A414L401-M405 WeakPolarHBondContact O-CG 3.41Å; L401-M405 PolarHBondContact O-N 3.19Å; R402-M405 WeakPolarHBondContact O-CB 2.99Å; R402-M405 PolarHBondContact O-N 3.36Å; P403-M405 VanDerWaalsContact C-N 3.28Å; P403-M405 PolarHBondContact O-N 3.24Å; M405-F412 WeakPolarHBondContact CB-O 3.26Å; M405-F412 HydrophobicContact CG-CD2 4.01Å; M405-F412 HydrophobicContact CG-CE2 3.54Å; M405-F412 HydrophobicContact CG-CZ 3.85Å; M405-F412 WeakPolarHBondContact CG-O 3.37Å; M405-I413 HydrophobicContact CE-CB 4.29Å; M405-I413 HydrophobicContact CE-CG1 4.35Å; M405-I413 HydrophobicContact CE-CG2 4.08Å; M405-A414 HydrophobicContact SD-CB 3.93Å; M405-A414 PolarHBondContact SD-N 3.36Å
406L80.9Confident84.4Confident151 Ų15162.7 Ų62.779%0.79132%0.316SS*.Hα-helixtrans-101.5-36.7-173.5-66.2172.4000113.9P403 L404P403-L406 PolarHBondContact O-N 3.05Å; P403-L406 VanDerWaalsContact O-N 3.14Å; L404-L406 VanDerWaalsContact C-N 3.25Å; L404-L406 PolarHBondContact O-N 3.04Å
407I76.7Confident84.6Confident145 Ų14562.1 Ų62.174%0.74432%0.321SS*.Hα-helixtrans-97-17.7-167.9-61.8169.2000112.1P403P403-I407 HydrophobicContact CB-CD1 4.33Å; P403-I407 WeakPolarHBondContact O-CG1 3.39Å; P403-I407 PolarHBondContact O-N 2.64Å
408N76.8Confident84.4Confident59 Ų5963 Ų6332%0.31633%0.327SS..SBendtrans-81.2151.3-168.2-144.9-9.7000112.5L311 L404 I410L311-N408 VanDerWaalsContact CD1-ND2 3.34Å; L311-N408 WeakPolarHBondContact CD1-ND2 3.07Å; L404-N408 WeakPolarHBondContact O-CB 2.88Å; N408-I410 PolarHBondContact O-N 2.85Å
409S79.8Confident84.4Confident80 Ų8062.8 Ų62.856%0.55933%0.326SS*.SBendtrans-60.3-29.2-179.856.10000113.1H307H307-S409 PolarHBondContact ND1-OG 3.3Å
410I85Confident84.2Confident11 Ų1163.6 Ų63.66%0.05634%0.336CS..SBendtrans-100.4117.1173.4-58.9174.7000107.1I293 I297 V304 H307 L308 N408 F412I293-I410 HydrophobicContact CD1-CG2 4.39Å; I293-I410 HydrophobicContact CG1-CG2 4.33Å; I293-I410 HydrophobicContact CG2-CG2 4.15Å; I297-I410 HydrophobicContact CD1-CG2 4.21Å; I297-I410 HydrophobicContact CG2-CG2 4.48Å; V304-I410 HydrophobicContact CG1-CD1 4.08Å; H307-I410 HydrophobicContact CB-CD1 3.88Å; L308-I410 HydrophobicContact CD2-CD1 3.65Å; L308-I410 HydrophobicContact CD2-CG2 4.4Å; L308-I410 HydrophobicContact CG-CD1 3.7Å; N408-I410 PolarHBondContact O-N 2.85Å; I410-F412 WeakPolarHBondContact O-CD1 3.23Å
411K87.3Confident83.6Confident88 Ų8863 Ų6338%0.38333%0.333SS..  trans-81.4126.5175.6-57.6-166.1-152.1149.40110.4Y294 E295Y294-K411 HydrophobicContact CE1-CB 4.07Å; Y294-K411 HydrophobicContact CE2-CB 4.32Å; E295-K411 VanDerWaalsContact CD-CD 3.49Å; E295-K411 HydrophobicContact CG-CB 4.31Å; E295-K411 VanDerWaalsContact OE1-CD 3.29Å; E295-K411 WeakPolarHBondContact OE1-CD 3.5Å; E295-K411 WeakPolarHBondContact OE1-CE 3.5Å; E295-K411 IonicContact OE1-NZ 2.65Å; E295-K411 PolarHBondContact OE1-NZ 3.38Å; E295-K411 VanDerWaalsContact OE2-CD 3.29Å; E295-K411 WeakPolarHBondContact OE2-CD 3.45Å; E295-K411 VanDerWaalsContact OE2-CE 3.28Å; E295-K411 WeakPolarHBondContact OE2-CE 3.5Å; E295-K411 WeakPolarHBondContact OE2-CG 3.47Å; E295-K411 IonicContact OE2-NZ 2.74Å; E295-K411 PolarHBondContact OE2-NZ 3.01Å
412F90.1Very high82.9Confident1 Ų163.8 Ų63.80%0.00434%0.337CS..EExtended strand (participates in β ladder)trans-145.7160.3179.969.9-83.3000111.2F291 Y292 I293 L311 L404 M405 I410 A414F291-F412 AromaticContact CD1-CD2 3.58Å; F291-F412 HydrophobicContact CD1-CD2 3.58Å; F291-F412 AromaticContact CD1-CE2 3.62Å; F291-F412 HydrophobicContact CD1-CE2 3.62Å; F291-F412 HydrophobicContact CD1-CG 4.44Å; F291-F412 AromaticContact CE1-CD2 3.94Å; F291-F412 HydrophobicContact CE1-CD2 3.94Å; F291-F412 AromaticContact CE1-CE2 3.46Å; F291-F412 HydrophobicContact CE1-CE2 3.46Å; F291-F412 VanDerWaalsContact CE1-CE2 3.46Å; F291-F412 HydrophobicContact CE1-CZ 4.18Å; F291-F412 HydrophobicContact CG-CD2 4.43Å; F291-F412 HydrophobicContact CZ-CE2 4.44Å; Y292-F412 CarbonylContact O-C 3.48Å; Y292-F412 WeakPolarHBondContact O-CA 3.35Å; Y292-F412 WeakPolarHBondContact O-CB 3.46Å; I293-F412 HydrophobicContact CG1-CB 4.19Å; L311-F412 HydrophobicContact CD1-CD1 4.31Å; L311-F412 HydrophobicContact CD1-CE1 3.47Å; L311-F412 VanDerWaalsContact CD1-CE1 3.47Å; L311-F412 HydrophobicContact CD1-CZ 3.68Å; L311-F412 HydrophobicContact CD2-CD1 4.11Å; L311-F412 HydrophobicContact CD2-CE1 3.98Å; L311-F412 HydrophobicContact CD2-CE2 4.42Å; L311-F412 HydrophobicContact CD2-CG 4.42Å; L311-F412 HydrophobicContact CD2-CZ 4.15Å; L311-F412 HydrophobicContact CG-CE1 4.34Å; L311-F412 HydrophobicContact CG-CZ 4.38Å; L404-F412 HydrophobicContact CB-CZ 4.06Å; L404-F412 VanDerWaalsContact O-CE1 3.31Å; L404-F412 WeakPolarHBondContact O-CE1 3.4Å; M405-F412 WeakPolarHBondContact CB-O 3.26Å; M405-F412 HydrophobicContact CG-CD2 4.01Å; M405-F412 HydrophobicContact CG-CE2 3.54Å; M405-F412 HydrophobicContact CG-CZ 3.85Å; M405-F412 WeakPolarHBondContact CG-O 3.37Å; I410-F412 WeakPolarHBondContact O-CD1 3.23Å; F412-A414 HydrophobicContact CE2-CB 4.35Å
413I90.9Very high82.2Confident75 Ų7563.2 Ų63.239%0.38534%0.34SS..EExtended strand (participates in β ladder)trans-115.6125171-63.3171.8000108.4Y292 Y294 M405 F415Y292-I413 WeakPolarHBondContact CD2-O 3.27Å; Y292-I413 PolarHBondContact N-O 2.74Å; Y292-I413 PolarHBondContact O-N 3.41Å; Y294-I413 HydrophobicContact CD1-CD1 4.06Å; Y294-I413 HydrophobicContact CD1-CG1 3.9Å; Y294-I413 HydrophobicContact CE1-CD1 4.08Å; Y294-I413 HydrophobicContact CE1-CG1 3.71Å; M405-I413 HydrophobicContact CE-CB 4.29Å; M405-I413 HydrophobicContact CE-CG1 4.35Å; M405-I413 HydrophobicContact CE-CG2 4.08Å; I413-F415 HydrophobicContact CG2-CB 4.22Å
414A89.8Confident81.1Confident7 Ų765.3 Ų65.36%0.05834%0.34CS..EExtended strand (participates in β ladder)trans-90.3117.5168.100000108.9I289 G290 F291 L401 M405 F412I289-A414 HydrophobicContact CG2-CB 4Å; G290-A414 CarbonylContact O-C 3.52Å; G290-A414 WeakPolarHBondContact O-CA 3.27Å; F291-A414 HydrophobicContact CE2-CB 4.19Å; F291-A414 HydrophobicContact CZ-CB 4.21Å; L401-A414 HydrophobicContact CD1-CB 4.11Å; M405-A414 HydrophobicContact SD-CB 3.93Å; M405-A414 PolarHBondContact SD-N 3.36Å; F412-A414 HydrophobicContact CE2-CB 4.35Å
415F88.4Confident79.9Confident84 Ų8463.8 Ų63.837%0.36833%0.329SS..EExtended strand (participates in β ladder)trans-138.6138.8-175.9179.6-99.8000112.8G290 Y292 I413 P417 V420G290-F415 PolarHBondContact N-O 3.14Å; G290-F415 PolarHBondContact O-N 2.77Å; Y292-F415 HydrophobicContact CD2-CB 4.11Å; Y292-F415 HydrophobicContact CE2-CB 3.81Å; Y292-F415 HydrophobicContact CE2-CD1 4.31Å; I413-F415 HydrophobicContact CG2-CB 4.22Å; F415-P417 HydrophobicContact CE1-CG 4.35Å; F415-V420 HydrophobicContact CE2-CG2 4.23Å
416N87.6Confident78.6Confident18 Ų1863.9 Ų63.910%0.09633%0.334CS..  trans-140.6143.1164.7179.5-81.7000107.5P287 V288 T418 F419P287-N416 WeakPolarHBondContact CB-ND2 3.47Å; V288-N416 PolarHBondContact O-ND2 3.18Å; N416-T418 PolarHBondContact O-N 3.34Å; N416-T418 WeakPolarHBondContact OD1-CA 3.2Å; N416-T418 WeakPolarHBondContact OD1-CB 3.22Å; N416-T418 PolarHBondContact OD1-N 3.18Å; N416-T418 PolarHBondContact OD1-OG1 3.34Å; N416-F419 HydrophobicContact CB-CD1 3.98Å; N416-F419 HydrophobicContact CB-CD2 4.18Å; N416-F419 HydrophobicContact CB-CE1 4.01Å; N416-F419 HydrophobicContact CB-CE2 4.21Å; N416-F419 HydrophobicContact CB-CG 4.07Å; N416-F419 HydrophobicContact CB-CZ 4.13Å; N416-F419 VanDerWaalsContact O-CB 3.28Å; N416-F419 WeakPolarHBondContact O-CB 3.19Å; N416-F419 PolarHBondContact O-N 2.84Å
417P84.7Confident77.5Confident88 Ų8858.9 Ų58.957%0.57131%0.312SS*.THydrogen-bonded Turntrans-53.4-29177.4-28.936000114.6F415 F419F415-P417 HydrophobicContact CE1-CG 4.35Å; P417-F419 VanDerWaalsContact C-N 3.28Å; P417-F419 PolarHBondContact O-N 3.43Å
418T77.4Confident76.5Confident48 Ų4852.3 Ų52.329%0.29428%0.279SS..THydrogen-bonded Turntrans-68.4-25.8176.8-42.80000112.4N416 V420 F421 M422N416-T418 PolarHBondContact O-N 3.34Å; N416-T418 WeakPolarHBondContact OD1-CA 3.2Å; N416-T418 WeakPolarHBondContact OD1-CB 3.22Å; N416-T418 PolarHBondContact OD1-N 3.18Å; N416-T418 PolarHBondContact OD1-OG1 3.34Å; T418-V420 VanDerWaalsContact C-N 3.25Å; T418-V420 PolarHBondContact O-N 3.27Å; T418-F421 PolarHBondContact O-N 3.07Å; T418-M422 HydrophobicContact CG2-CE 3.9Å; T418-M422 HydrophobicContact CG2-SD 4.42Å; T418-M422 PolarHBondContact O-N 3.42Å; T418-M422 VanDerWaalsContact O-N 3.17Å
419F80.4Confident75.5Confident6 Ų652.3 Ų52.33%0.02628%0.281CS..Hα-helixtrans-63.1-31.3-178.9-68-7000112.4I289 V394 L398 N416 P417 F421 M422 D423I289-F419 HydrophobicContact CB-CZ 4.47Å; I289-F419 HydrophobicContact CD1-CZ 3.85Å; I289-F419 HydrophobicContact CG1-CZ 3.78Å; I289-F419 HydrophobicContact CG2-CE2 3.89Å; I289-F419 HydrophobicContact CG2-CZ 3.98Å; V394-F419 HydrophobicContact CG1-CE1 4.17Å; L398-F419 HydrophobicContact CD1-CD2 3.69Å; L398-F419 HydrophobicContact CD1-CE2 3.72Å; L398-F419 HydrophobicContact CD1-CG 4.25Å; L398-F419 HydrophobicContact CD1-CZ 4.3Å; L398-F419 HydrophobicContact CD2-CB 4.32Å; L398-F419 HydrophobicContact CD2-CD1 4.5Å; L398-F419 HydrophobicContact CD2-CD2 4.47Å; L398-F419 HydrophobicContact CD2-CG 4.22Å; N416-F419 HydrophobicContact CB-CD1 3.98Å; N416-F419 HydrophobicContact CB-CD2 4.18Å; N416-F419 HydrophobicContact CB-CE1 4.01Å; N416-F419 HydrophobicContact CB-CE2 4.21Å; N416-F419 HydrophobicContact CB-CG 4.07Å; N416-F419 HydrophobicContact CB-CZ 4.13Å; N416-F419 VanDerWaalsContact O-CB 3.28Å; N416-F419 WeakPolarHBondContact O-CB 3.19Å; N416-F419 PolarHBondContact O-N 2.84Å; P417-F419 VanDerWaalsContact C-N 3.28Å; P417-F419 PolarHBondContact O-N 3.43Å; F419-F421 PolarHBondContact O-N 3.39Å; F419-M422 HydrophobicContact CD1-SD 3.97Å; F419-M422 HydrophobicContact CE1-SD 4.36Å; F419-M422 CarbonylContact O-C 3.56Å; F419-M422 PolarHBondContact O-N 3.43Å; F419-D423 PolarHBondContact O-N 3.19Å
420V78.7Confident74.5Confident90 Ų9053.7 Ų53.755%0.54528%0.281SS..Hα-helixtrans-56.9-36.7174-178.80000111.6F415 T418F415-V420 HydrophobicContact CE2-CG2 4.23Å; T418-V420 VanDerWaalsContact C-N 3.25Å; T418-V420 PolarHBondContact O-N 3.27Å
421F72.1Confident73.2Confident107 Ų10754.4 Ų54.447%0.46929%0.287SS..Hα-helixtrans-81.2-27.1176.5-58.6-81.7000112.8I261 T418 F419 R424 Y425I261-F421 HydrophobicContact CD1-CB 3.56Å; I261-F421 HydrophobicContact CD1-CD1 3.84Å; I261-F421 HydrophobicContact CD1-CD2 3.82Å; I261-F421 HydrophobicContact CD1-CE1 4.49Å; I261-F421 HydrophobicContact CD1-CE2 4.47Å; I261-F421 HydrophobicContact CD1-CG 3.46Å; I261-F421 VanDerWaalsContact CD1-CG 3.46Å; I261-F421 HydrophobicContact CG1-CB 4.18Å; I261-F421 HydrophobicContact CG1-CD1 4.11Å; I261-F421 HydrophobicContact CG1-CG 4.17Å; T418-F421 PolarHBondContact O-N 3.07Å; F419-F421 PolarHBondContact O-N 3.39Å; F421-R424 WeakPolarHBondContact O-CB 3.34Å; F421-Y425 PolarHBondContact O-N 3.48Å
422M70.9Confident71.7Confident25 Ų2550.6 Ų50.612%0.12327%0.271CS..Hα-helixtrans-79.9-33.7177.3-66.2177.8166.800112.8V394 V395 T418 F419 R424 Y425 S426V394-M422 HydrophobicContact CB-CE 4.05Å; V394-M422 HydrophobicContact CB-SD 4.26Å; V394-M422 HydrophobicContact CG1-CE 3.68Å; V394-M422 HydrophobicContact CG1-SD 3.54Å; V394-M422 VanDerWaalsContact CG1-SD 3.54Å; V395-M422 HydrophobicContact CG2-CB 4.5Å; T418-M422 HydrophobicContact CG2-CE 3.9Å; T418-M422 HydrophobicContact CG2-SD 4.42Å; T418-M422 PolarHBondContact O-N 3.42Å; T418-M422 VanDerWaalsContact O-N 3.17Å; F419-M422 HydrophobicContact CD1-SD 3.97Å; F419-M422 HydrophobicContact CE1-SD 4.36Å; F419-M422 CarbonylContact O-C 3.56Å; F419-M422 PolarHBondContact O-N 3.43Å; M422-R424 PolarHBondContact O-N 3.38Å; M422-Y425 WeakPolarHBondContact O-CA 3.12Å; M422-Y425 WeakPolarHBondContact O-CB 3.47Å; M422-Y425 PolarHBondContact O-N 2.94Å; M422-S426 PolarHBondContact O-N 3.37Å; M422-S426 VanDerWaalsContact O-N 3.1Å
423D70.7Confident70.2Confident65 Ų6555.2 Ų55.235%0.34830%0.295SS..Hα-helixtrans-62.4-34.7172.7-74.2-25.3000110.9L398 R402 F419 Y425 S427L398-D423 WeakPolarHBondContact CD2-OD1 3.39Å; R402-D423 IonicContact CZ-OD1 3.67Å; R402-D423 IonicContact NH2-OD1 3.77Å; R402-D423 PolarHBondContact NH2-OD1 3.06Å; F419-D423 PolarHBondContact O-N 3.19Å; D423-Y425 VanDerWaalsContact C-N 3.31Å; D423-Y425 PolarHBondContact O-N 3.25Å; D423-S427 PolarHBondContact O-N 2.9Å; D423-S427 PolarHBondContact O-OG 3.2Å
424R64.2Low68.7Low103 Ų10356 Ų5639%0.38930%0.299SS..Hα-helixtrans-61-39.6168.7-172.7177.5179.8165.3-0.1111.6I131 F421 M422 S427 S428I131-R424 VanDerWaalsContact CG2-NH2 3.32Å; F421-R424 WeakPolarHBondContact O-CB 3.34Å; M422-R424 PolarHBondContact O-N 3.38Å; R424-S427 PolarHBondContact O-N 3.17Å; R424-S428 WeakPolarHBondContact O-CA 3.31Å; R424-S428 WeakPolarHBondContact O-CB 3.28Å; R424-S428 PolarHBondContact O-N 3.47Å
425Y59.9Low67.2Low46 Ų4657.1 Ų57.118%0.1831%0.305CS..Hα-helixtrans-61.5-51177.8-175.3-82.3000112D257 S259 V395 F421 M422 D423 S427 S428D257-Y425 HydrophobicContact CB-CD2 4.39Å; D257-Y425 HydrophobicContact CB-CE2 3.5Å; D257-Y425 VanDerWaalsContact CB-CE2 3.5Å; D257-Y425 PolarHBondContact OD2-OH 3.43Å; S259-Y425 WeakPolarHBondContact OG-CD2 3.12Å; V395-Y425 HydrophobicContact CG2-CD1 4.09Å; F421-Y425 PolarHBondContact O-N 3.48Å; M422-Y425 WeakPolarHBondContact O-CA 3.12Å; M422-Y425 WeakPolarHBondContact O-CB 3.47Å; M422-Y425 PolarHBondContact O-N 2.94Å; D423-Y425 VanDerWaalsContact C-N 3.31Å; D423-Y425 PolarHBondContact O-N 3.25Å; Y425-S427 PolarHBondContact O-N 3.22Å; Y425-S428 WeakPolarHBondContact O-CB 3.32Å; Y425-S428 PolarHBondContact O-N 2.87Å
426S58.3Low65.7Low44 Ų4454.8 Ų54.831%0.30830%0.3SS..Hα-helixtrans-58.4-34.2178.5-176.50000112E399 M422E399-S426 PolarHBondContact OE1-OG 2.95Å; M422-S426 PolarHBondContact O-N 3.37Å; M422-S426 VanDerWaalsContact O-N 3.1Å
427S57.8Low64.5Low46 Ų4655.9 Ų55.932%0.32232%0.315SS..Hα-helixtrans-83.6-16.7175.4-60.30000114.9D423 R424 Y425 V429 S431D423-S427 PolarHBondContact O-N 2.9Å; D423-S427 PolarHBondContact O-OG 3.2Å; R424-S427 PolarHBondContact O-N 3.17Å; Y425-S427 PolarHBondContact O-N 3.22Å; S427-V429 PolarHBondContact O-N 3.32Å; S427-S431 VanDerWaalsContact O-CB 3.23Å; S427-S431 WeakPolarHBondContact O-CB 3.32Å; S427-S431 PolarHBondContact O-N 3.22Å
428S55.4Low63.5Low8 Ų857.5 Ų57.56%0.05631%0.313CS..Hα-helixtrans-76.8-20.8-166.6-168.70000114.4R424 Y425 P432R424-S428 WeakPolarHBondContact O-CA 3.31Å; R424-S428 WeakPolarHBondContact O-CB 3.28Å; R424-S428 PolarHBondContact O-N 3.47Å; Y425-S428 WeakPolarHBondContact O-CB 3.32Å; Y425-S428 PolarHBondContact O-N 2.87Å; S428-P432 WeakPolarHBondContact O-CD 3.37Å; S428-P432 WeakPolarHBondContact O-CG 3.39Å
429V55.8Low62.5Low59 Ų5955.5 Ų55.536%0.35830%0.301SS..THydrogen-bonded Turntrans-87.6-45.3178.5-179.30000110.7D257 S427 I433D257-V429 WeakPolarHBondContact OD1-CG2 3.2Å; D257-V429 VanDerWaalsContact OD2-CG2 3.25Å; D257-V429 WeakPolarHBondContact OD2-CG2 3.44Å; S427-V429 PolarHBondContact O-N 3.32Å; V429-I433 HydrophobicContact CG1-CD1 4.28Å; V429-I433 WeakPolarHBondContact O-CD1 3.31Å; V429-I433 WeakPolarHBondContact O-CG1 3.29Å
430I59.6Low61.5Low109 Ų10956.6 Ų56.656%0.55931%0.309SS*.Hα-helixtrans-78.4-41-171.5-64.4169.7000111.1L434I430-L434 HydrophobicContact CG2-CD1 3.53Å; I430-L434 HydrophobicContact CG2-CG 4.2Å; I430-L434 WeakPolarHBondContact O-CB 3.26Å; I430-L434 VanDerWaalsContact O-CG 3.24Å; I430-L434 WeakPolarHBondContact O-CG 3.22Å; I430-L434 PolarHBondContact O-N 3.23Å; I430-L434 VanDerWaalsContact O-N 3.08Å
431S56.4Low60.7Low25 Ų2556.4 Ų56.418%0.17530%0.304CS..Hα-helixtrans-64.5-45.9-175.9-178.50000113.1S427 L434 T435S427-S431 VanDerWaalsContact O-CB 3.23Å; S427-S431 WeakPolarHBondContact O-CB 3.32Å; S427-S431 PolarHBondContact O-N 3.22Å; S431-L434 PolarHBondContact O-N 3.06Å; S431-T435 PolarHBondContact O-N 2.9Å; S431-T435 PolarHBondContact O-OG1 3.45Å
432P56.8Low60.2Low9 Ų953.5 Ų53.56%0.05830%0.295CS..Hα-helixtrans-65.6-41.6-180-26.739.4000114.1S428 L434 T435 S436 M482 I487S428-P432 WeakPolarHBondContact O-CD 3.37Å; S428-P432 WeakPolarHBondContact O-CG 3.39Å; P432-L434 VanDerWaalsContact C-N 3.33Å; P432-T435 VanDerWaalsContact CA-OG1 3.23Å; P432-T435 WeakPolarHBondContact CA-OG1 3.41Å; P432-T435 PolarHBondContact O-N 3.36Å; P432-T435 PolarHBondContact O-OG1 2.88Å; P432-S436 WeakPolarHBondContact O-CB 3.22Å; P432-S436 PolarHBondContact O-N 3.35Å; P432-M482 HydrophobicContact CB-CE 4.06Å; P432-I487 HydrophobicContact CB-CD1 3.9Å; P432-I487 HydrophobicContact CB-CG1 3.93Å; P432-I487 HydrophobicContact CG-CD1 3.42Å; P432-I487 VanDerWaalsContact CG-CD1 3.42Å; P432-I487 HydrophobicContact CG-CG1 4.02Å
433I58.1Low59.7Low97 Ų9752.8 Ų52.850%0.49729%0.291SS..Hα-helixtrans-62.9-43.4177.1-64.8172.4000109.9V429 G437V429-I433 HydrophobicContact CG1-CD1 4.28Å; V429-I433 WeakPolarHBondContact O-CD1 3.31Å; V429-I433 WeakPolarHBondContact O-CG1 3.29Å; I433-G437 PolarHBondContact O-N 3.08Å
434L59.9Low59.3Low93 Ų9353 Ų5349%0.48729%0.292SS..Hα-helixtrans-65.7-44.9175.1-70.2174.8000111.4I430 S431 P432 G437 F438I430-L434 HydrophobicContact CG2-CD1 3.53Å; I430-L434 HydrophobicContact CG2-CG 4.2Å; I430-L434 WeakPolarHBondContact O-CB 3.26Å; I430-L434 VanDerWaalsContact O-CG 3.24Å; I430-L434 WeakPolarHBondContact O-CG 3.22Å; I430-L434 PolarHBondContact O-N 3.23Å; I430-L434 VanDerWaalsContact O-N 3.08Å; S431-L434 PolarHBondContact O-N 3.06Å; P432-L434 VanDerWaalsContact C-N 3.33Å; L434-G437 PolarHBondContact O-N 3.19Å; L434-F438 HydrophobicContact CB-CD2 4.35Å; L434-F438 HydrophobicContact CB-CE2 4.31Å; L434-F438 WeakPolarHBondContact O-CB 3.44Å; L434-F438 WeakPolarHBondContact O-CD2 3.25Å; L434-F438 WeakPolarHBondContact O-CG 3.44Å; L434-F438 PolarHBondContact O-N 3.09Å
435T58.9Low59.2Low29 Ų2952 Ų5218%0.17829%0.294CS..Hα-helixtrans-68-36.8178.9470000113.5S431 P432 S439S431-T435 PolarHBondContact O-N 2.9Å; S431-T435 PolarHBondContact O-OG1 3.45Å; P432-T435 VanDerWaalsContact CA-OG1 3.23Å; P432-T435 WeakPolarHBondContact CA-OG1 3.41Å; P432-T435 PolarHBondContact O-N 3.36Å; P432-T435 PolarHBondContact O-OG1 2.88Å; T435-S439 VanDerWaalsContact O-CB 3.24Å; T435-S439 WeakPolarHBondContact O-CB 3.49Å; T435-S439 PolarHBondContact O-N 2.88Å; T435-S439 PolarHBondContact O-OG 3.47Å
436S55.5Low59.2Low36 Ų3652.1 Ų52.125%0.25230%0.298SS..Hα-helixtrans-65.9-46.3171158.90000109.5P432 F438 S439 V440 E468P432-S436 WeakPolarHBondContact O-CB 3.22Å; P432-S436 PolarHBondContact O-N 3.35Å; S436-F438 PolarHBondContact O-N 3.4Å; S436-S439 PolarHBondContact O-N 3.16Å; S436-S439 VanDerWaalsContact O-N 3.1Å; S436-V440 WeakPolarHBondContact O-CB 3.15Å; S436-V440 VanDerWaalsContact O-CG2 3.29Å; S436-V440 WeakPolarHBondContact O-CG2 3.13Å; S436-V440 PolarHBondContact O-N 3.48Å; S436-E468 PolarHBondContact OG-OE1 3.45Å
437G63.1Low59.3Low41 Ų4150.1 Ų50.142%0.42328%0.283SS..Hα-helixtrans-58.2-43.6175.100000113.6I433 L434 L441I433-G437 PolarHBondContact O-N 3.08Å; L434-G437 PolarHBondContact O-N 3.19Å; G437-L441 VanDerWaalsContact O-CB 3.29Å; G437-L441 WeakPolarHBondContact O-CB 3.23Å; G437-L441 PolarHBondContact O-N 3.48Å
438F63.6Low59.4Low121 Ų12153.8 Ų53.853%0.53129%0.294SS..Hα-helixtrans-67.6-39.8173.7-78.5-62.9000111.8M123 L434 S436 L441 T442M123-F438 HydrophobicContact CE-CB 4.41Å; L434-F438 HydrophobicContact CB-CD2 4.35Å; L434-F438 HydrophobicContact CB-CE2 4.31Å; L434-F438 WeakPolarHBondContact O-CB 3.44Å; L434-F438 WeakPolarHBondContact O-CD2 3.25Å; L434-F438 WeakPolarHBondContact O-CG 3.44Å; L434-F438 PolarHBondContact O-N 3.09Å; S436-F438 PolarHBondContact O-N 3.4Å; F438-L441 PolarHBondContact O-N 3.36Å; F438-T442 WeakPolarHBondContact O-CB 3.38Å; F438-T442 PolarHBondContact O-N 3.15Å; F438-T442 PolarHBondContact O-OG1 2.86Å
439S56.7Low59.4Low6 Ų661 Ų614%0.04233%0.325CS..Hα-helixtrans-64.7-43.5176.9-59.80000111.4T435 S436 T442 I443T435-S439 VanDerWaalsContact O-CB 3.24Å; T435-S439 WeakPolarHBondContact O-CB 3.49Å; T435-S439 PolarHBondContact O-N 2.88Å; T435-S439 PolarHBondContact O-OG 3.47Å; S436-S439 PolarHBondContact O-N 3.16Å; S436-S439 VanDerWaalsContact O-N 3.1Å; S439-T442 PolarHBondContact O-N 3.49Å; S439-I443 WeakPolarHBondContact O-CB 3.31Å; S439-I443 VanDerWaalsContact O-CG1 3.26Å; S439-I443 WeakPolarHBondContact O-CG1 3.49Å; S439-I443 PolarHBondContact O-N 3.22Å
440V59.2Low59.4Low30 Ų3062.1 Ų62.118%0.18233%0.328CS..Hα-helixtrans-62.1-44173.61720000110.7S436 I443 L444 E468 L494S436-V440 WeakPolarHBondContact O-CB 3.15Å; S436-V440 VanDerWaalsContact O-CG2 3.29Å; S436-V440 WeakPolarHBondContact O-CG2 3.13Å; S436-V440 PolarHBondContact O-N 3.48Å; V440-I443 PolarHBondContact O-N 3.08Å; V440-L444 WeakPolarHBondContact O-CB 3.22Å; V440-L444 PolarHBondContact O-N 3.16Å; V440-E468 WeakPolarHBondContact CG2-OE2 3.34Å; V440-L494 HydrophobicContact CG2-CD1 4.27Å; V440-L494 HydrophobicContact CG2-CD2 4.27Å
441L62.5Low59.2Low85 Ų8558 Ų5845%0.44531%0.308SS..Hα-helixtrans-64.6-41.8177.1-177.163.9000112G437 F438 L444 I445G437-L441 VanDerWaalsContact O-CB 3.29Å; G437-L441 WeakPolarHBondContact O-CB 3.23Å; G437-L441 PolarHBondContact O-N 3.48Å; F438-L441 PolarHBondContact O-N 3.36Å; L441-L444 WeakPolarHBondContact O-CB 3.24Å; L441-L444 PolarHBondContact O-N 3.11Å; L441-I445 HydrophobicContact CD1-CD1 4.45Å; L441-I445 HydrophobicContact CG-CD1 4.15Å; L441-I445 WeakPolarHBondContact O-CD1 3.47Å; L441-I445 VanDerWaalsContact O-CG1 3.23Å; L441-I445 WeakPolarHBondContact O-CG1 3.3Å; L441-I445 PolarHBondContact O-N 2.96Å
442T61.1Low59.2Low46 Ų4664 Ų6428%0.28234%0.336SS..Hα-helixtrans-70.8-39178.3-61.10000111.7M123 F438 S439 L444 I445 L446M123-T442 HydrophobicContact CE-CG2 4.13Å; M123-T442 VanDerWaalsContact CE-OG1 3.27Å; M123-T442 WeakPolarHBondContact CE-OG1 3.5Å; M123-T442 WeakPolarHBondContact SD-CB 3.28Å; M123-T442 HydrophobicContact SD-CG2 3.45Å; M123-T442 WeakPolarHBondContact SD-CG2 3.47Å; F438-T442 WeakPolarHBondContact O-CB 3.38Å; F438-T442 PolarHBondContact O-N 3.15Å; F438-T442 PolarHBondContact O-OG1 2.86Å; S439-T442 PolarHBondContact O-N 3.49Å; T442-L444 VanDerWaalsContact C-N 3.34Å; T442-I445 PolarHBondContact O-N 2.83Å; T442-L446 WeakPolarHBondContact O-CB 3.31Å; T442-L446 PolarHBondContact O-N 2.9Å
443I61.2Low59.9Low10 Ų1065.8 Ų65.85%0.05135%0.345CS..Hα-helixtrans-64-42.2171.4-70.3-179.8000110.1T120 S439 V440 I445 L446 T447 L494T120-I443 HydrophobicContact CG2-CD1 4.01Å; T120-I443 VanDerWaalsContact OG1-CD1 3.3Å; T120-I443 WeakPolarHBondContact OG1-CD1 3.48Å; S439-I443 WeakPolarHBondContact O-CB 3.31Å; S439-I443 VanDerWaalsContact O-CG1 3.26Å; S439-I443 WeakPolarHBondContact O-CG1 3.49Å; S439-I443 PolarHBondContact O-N 3.22Å; V440-I443 PolarHBondContact O-N 3.08Å; I443-I445 VanDerWaalsContact C-N 3.3Å; I443-I445 PolarHBondContact O-N 3.47Å; I443-L446 PolarHBondContact O-N 3.03Å; I443-L446 VanDerWaalsContact O-N 3.14Å; I443-T447 HydrophobicContact CG2-CG2 3.76Å; I443-T447 WeakPolarHBondContact O-CB 3.37Å; I443-T447 VanDerWaalsContact O-CG2 3.23Å; I443-T447 WeakPolarHBondContact O-CG2 3.29Å; I443-T447 PolarHBondContact O-N 3.19Å; I443-T447 PolarHBondContact O-OG1 2.9Å; I443-L494 HydrophobicContact CD1-CD1 4.04Å; I443-L494 HydrophobicContact CD1-CD2 3.25Å; I443-L494 HydrophobicContact CD1-CG 3.42Å; I443-L494 VanDerWaalsContact CD1-CG 3.42Å; I443-L494 HydrophobicContact CG1-CD2 4.44Å
444L61.3Low60.7Low69 Ų6965.4 Ų65.436%0.36135%0.349SS..Hα-helixtrans-58.6-40.7175.8-179.5146.5000112.3V440 L441 T442 T447 F448 V461V440-L444 WeakPolarHBondContact O-CB 3.22Å; V440-L444 PolarHBondContact O-N 3.16Å; L441-L444 WeakPolarHBondContact O-CB 3.24Å; L441-L444 PolarHBondContact O-N 3.11Å; T442-L444 VanDerWaalsContact C-N 3.34Å; L444-T447 PolarHBondContact O-OG1 3.34Å; L444-F448 VanDerWaalsContact O-CB 3.28Å; L444-F448 WeakPolarHBondContact O-CB 3.49Å; L444-F448 PolarHBondContact O-N 3.4Å; L444-V461 HydrophobicContact CB-CG2 4.41Å; L444-V461 HydrophobicContact CD1-CG1 3.71Å; L444-V461 HydrophobicContact CD1-CG2 4.07Å; L444-V461 HydrophobicContact CG-CG2 4.15Å
445I62.1Low61.5Low82 Ų8266.5 Ų66.542%0.42136%0.355SS..Hα-helixtrans-69-44.1174.5-68.6164.9000110.5L441 T442 I443 F448 F449L441-I445 HydrophobicContact CD1-CD1 4.45Å; L441-I445 HydrophobicContact CG-CD1 4.15Å; L441-I445 WeakPolarHBondContact O-CD1 3.47Å; L441-I445 VanDerWaalsContact O-CG1 3.23Å; L441-I445 WeakPolarHBondContact O-CG1 3.3Å; L441-I445 PolarHBondContact O-N 2.96Å; T442-I445 PolarHBondContact O-N 2.83Å; I443-I445 VanDerWaalsContact C-N 3.3Å; I443-I445 PolarHBondContact O-N 3.47Å; I445-F448 WeakPolarHBondContact O-CB 3.42Å; I445-F448 PolarHBondContact O-N 3.24Å; I445-F449 HydrophobicContact CG2-CD2 4.22Å; I445-F449 HydrophobicContact CG2-CE2 3.86Å; I445-F449 WeakPolarHBondContact O-CD2 3.1Å; I445-F449 PolarHBondContact O-N 2.89Å
446L60.3Low62.4Low50 Ų5065.3 Ų65.326%0.26235%0.348SS..Hα-helixtrans-71.5-41-175.7-153.993.8000112.2L116 I119 T442 I443 F448 F449 L450L116-L446 HydrophobicContact CD2-CD2 3.51Å; L116-L446 HydrophobicContact CG-CD2 4.49Å; I119-L446 HydrophobicContact CD1-CD1 3.98Å; I119-L446 HydrophobicContact CD1-CD2 3.29Å; I119-L446 HydrophobicContact CD1-CG 4.28Å; T442-L446 WeakPolarHBondContact O-CB 3.31Å; T442-L446 PolarHBondContact O-N 2.9Å; I443-L446 PolarHBondContact O-N 3.03Å; I443-L446 VanDerWaalsContact O-N 3.14Å; L446-F448 VanDerWaalsContact C-N 3.26Å; L446-F448 PolarHBondContact O-N 3.05Å; L446-F449 PolarHBondContact O-N 3.23Å; L446-L450 HydrophobicContact CD2-CD1 3.8Å; L446-L450 HydrophobicContact CG-CD1 4.11Å; L446-L450 WeakPolarHBondContact O-CD1 3.34Å; L446-L450 WeakPolarHBondContact O-CG 3.45Å; L446-L450 PolarHBondContact O-N 2.97Å
447T60.8Low63.5Low2 Ų264.1 Ų64.11%0.01234%0.339CS..Hα-helixtrans-69.2-27.2176.164.20000111.5L116 I443 L444 F449 L450 V451 N457 M498L116-T447 HydrophobicContact CD2-CG2 4.33Å; I443-T447 HydrophobicContact CG2-CG2 3.76Å; I443-T447 WeakPolarHBondContact O-CB 3.37Å; I443-T447 VanDerWaalsContact O-CG2 3.23Å; I443-T447 WeakPolarHBondContact O-CG2 3.29Å; I443-T447 PolarHBondContact O-N 3.19Å; I443-T447 PolarHBondContact O-OG1 2.9Å; L444-T447 PolarHBondContact O-OG1 3.34Å; T447-F449 VanDerWaalsContact C-N 3.32Å; T447-F449 PolarHBondContact O-N 2.96Å; T447-L450 PolarHBondContact O-N 2.75Å; T447-V451 VanDerWaalsContact O-CB 3.31Å; T447-V451 WeakPolarHBondContact O-CB 3.49Å; T447-V451 WeakPolarHBondContact O-CG2 3.43Å; T447-V451 PolarHBondContact O-N 3.31Å; T447-V451 VanDerWaalsContact O-N 3.11Å; T447-N457 WeakPolarHBondContact CB-OD1 3.24Å; T447-N457 PolarHBondContact OG1-OD1 2.88Å; T447-M498 HydrophobicContact CG2-CE 3.46Å; T447-M498 VanDerWaalsContact CG2-CE 3.46Å
448F59.8Low64.3Low122 Ų12267.9 Ų67.954%0.53534%0.344SS..Hα-helixtrans-62-38.5170.9179-93.3000112.2L444 I445 L446 N457L444-F448 VanDerWaalsContact O-CB 3.28Å; L444-F448 WeakPolarHBondContact O-CB 3.49Å; L444-F448 PolarHBondContact O-N 3.4Å; I445-F448 WeakPolarHBondContact O-CB 3.42Å; I445-F448 PolarHBondContact O-N 3.24Å; L446-F448 VanDerWaalsContact C-N 3.26Å; L446-F448 PolarHBondContact O-N 3.05Å; F448-N457 WeakPolarHBondContact CA-ND2 3.37Å; F448-N457 PolarHBondContact N-ND2 2.73Å
449F55Low65.2Low161 Ų16164 Ų6471%0.70633%0.326SS*.Hα-helixtrans-79.5-28.6176.2-71.3-69.6000113.6I445 L446 T447I445-F449 HydrophobicContact CG2-CD2 4.22Å; I445-F449 HydrophobicContact CG2-CE2 3.86Å; I445-F449 WeakPolarHBondContact O-CD2 3.1Å; I445-F449 PolarHBondContact O-N 2.89Å; L446-F449 PolarHBondContact O-N 3.23Å; T447-F449 VanDerWaalsContact C-N 3.32Å; T447-F449 PolarHBondContact O-N 2.96Å
450L54.6Low66.6Low81 Ų8163.8 Ų63.842%0.42432%0.324SS..Hα-helixtrans-79.9-19.5-179.7-77.6158.6000113.7M112 L116 L446 T447M112-L450 HydrophobicContact CG-CD1 4.2Å; M112-L450 HydrophobicContact CG-CD2 3.98Å; M112-L450 HydrophobicContact SD-CB 4.19Å; M112-L450 HydrophobicContact SD-CD2 4.12Å; L116-L450 HydrophobicContact CD2-CD1 4.37Å; L446-L450 HydrophobicContact CD2-CD1 3.8Å; L446-L450 HydrophobicContact CG-CD1 4.11Å; L446-L450 WeakPolarHBondContact O-CD1 3.34Å; L446-L450 WeakPolarHBondContact O-CG 3.45Å; L446-L450 PolarHBondContact O-N 2.97Å; T447-L450 PolarHBondContact O-N 2.75Å
451V56.4Low67.8Low24 Ų2463.7 Ų63.715%0.14532%0.324CS..  trans-110.4128.2-168.71790000113.8T447 N453 N457 Y506T447-V451 VanDerWaalsContact O-CB 3.31Å; T447-V451 WeakPolarHBondContact O-CB 3.49Å; T447-V451 WeakPolarHBondContact O-CG2 3.43Å; T447-V451 PolarHBondContact O-N 3.31Å; T447-V451 VanDerWaalsContact O-N 3.11Å; V451-N453 PolarHBondContact O-N 3.31Å; V451-N453 VanDerWaalsContact O-N 3.17Å; V451-N457 HydrophobicContact CB-CB 4.39Å; V451-N457 HydrophobicContact CG1-CB 4.36Å; V451-Y506 HydrophobicContact CB-CE1 4.34Å; V451-Y506 HydrophobicContact CG1-CD1 4.48Å; V451-Y506 HydrophobicContact CG1-CE1 3.76Å; V451-Y506 HydrophobicContact CG2-CE1 3.57Å; V451-Y506 WeakPolarHBondContact CG2-OH 3.39Å
452I56.8Low68.9Low149 Ų14962.7 Ų62.776%0.76432%0.319SS*.SBendtrans-66.9-13-177.4-63.6165.3000113.8
453N70.3Confident70.4Confident47 Ų4760.9 Ų60.925%0.25131%0.308SS..  trans-137.2119-178.2-170.7-17.6000113.4V451 L455 G456 N457 V509V451-N453 PolarHBondContact O-N 3.31Å; V451-N453 VanDerWaalsContact O-N 3.17Å; N453-L455 VanDerWaalsContact C-N 3.3Å; N453-L455 PolarHBondContact O-N 2.95Å; N453-L455 PolarHBondContact OD1-N 3.34Å; N453-L455 VanDerWaalsContact OD1-N 3.1Å; N453-G456 PolarHBondContact O-N 3.02Å; N453-N457 PolarHBondContact O-N 2.69Å; N453-V509 HydrophobicContact CB-CG1 3.84Å; N453-V509 WeakPolarHBondContact ND2-CG1 3.29Å
454P75.4Confident71.7Confident90 Ų9060.7 Ų60.758%0.58431%0.307SS*.Hα-helixtrans-63.5-31-177.225.5-35.5000113.8N457 F458P454-N457 PolarHBondContact O-N 3.16Å; P454-F458 PolarHBondContact O-N 3.36Å
455L75.9Confident72.9Confident115 Ų11559.6 Ų59.660%0.60230%0.303SS*.Hα-helixtrans-70.3-38.3177.9-71.5171.6000111.8N453 F458 W459N453-L455 VanDerWaalsContact C-N 3.3Å; N453-L455 PolarHBondContact O-N 2.95Å; N453-L455 PolarHBondContact OD1-N 3.34Å; N453-L455 VanDerWaalsContact OD1-N 3.1Å; L455-F458 PolarHBondContact O-N 2.89Å; L455-W459 VanDerWaalsContact O-CD1 3.28Å; L455-W459 PolarHBondContact O-N 3.43Å
456G78.1Confident74.4Confident4 Ų456.3 Ų56.34%0.04129%0.288CS..Hα-helixtrans-62.4-46.4173.400000110.5N453 F458 W459 L460 L505N453-G456 PolarHBondContact O-N 3.02Å; G456-F458 VanDerWaalsContact C-N 3.33Å; G456-F458 PolarHBondContact O-N 3.37Å; G456-W459 PolarHBondContact O-N 3.24Å; G456-L460 PolarHBondContact O-N 2.83Å; G456-L505 WeakPolarHBondContact O-CD2 3.37Å
457N79Confident76.1Confident11 Ų1154 Ų546%0.05928%0.275CS..Hα-helixtrans-60.5-41.5178.9-166.145000112.9T447 F448 V451 N453 P454 W459 L460 V461T447-N457 WeakPolarHBondContact CB-OD1 3.24Å; T447-N457 PolarHBondContact OG1-OD1 2.88Å; F448-N457 WeakPolarHBondContact CA-ND2 3.37Å; F448-N457 PolarHBondContact N-ND2 2.73Å; V451-N457 HydrophobicContact CB-CB 4.39Å; V451-N457 HydrophobicContact CG1-CB 4.36Å; N453-N457 PolarHBondContact O-N 2.69Å; P454-N457 PolarHBondContact O-N 3.16Å; N457-W459 PolarHBondContact O-N 2.96Å; N457-L460 WeakPolarHBondContact O-CB 3.13Å; N457-L460 PolarHBondContact O-N 3.25Å; N457-V461 WeakPolarHBondContact O-CG2 3.33Å; N457-V461 PolarHBondContact O-N 2.91Å
458F80.1Confident77.4Confident121 Ų12154.5 Ų54.553%0.53128%0.278SS..Hα-helixtrans-58.2-46.1176.2175.8-97.7000112.8P454 L455 G456 L460 V461 L462P454-F458 PolarHBondContact O-N 3.36Å; L455-F458 PolarHBondContact O-N 2.89Å; G456-F458 VanDerWaalsContact C-N 3.33Å; G456-F458 PolarHBondContact O-N 3.37Å; F458-L460 VanDerWaalsContact C-N 3.35Å; F458-V461 PolarHBondContact O-N 2.7Å; F458-L462 HydrophobicContact CE1-CD1 4.28Å; F458-L462 HydrophobicContact CZ-CD1 4.35Å; F458-L462 WeakPolarHBondContact O-CB 3.27Å; F458-L462 PolarHBondContact O-N 3.24Å
459W83.2Confident78.9Confident39 Ų3952.8 Ų52.815%0.14827%0.273CS..Hα-helixtrans-68.7-34.6178.5-82.1101.8000112.9L455 G456 N457 L462 T463 L505 F578 F582L455-W459 VanDerWaalsContact O-CD1 3.28Å; L455-W459 PolarHBondContact O-N 3.43Å; G456-W459 PolarHBondContact O-N 3.24Å; N457-W459 PolarHBondContact O-N 2.96Å; W459-L462 HydrophobicContact CE3-CD2 4.24Å; W459-L462 HydrophobicContact CH2-CD1 4.37Å; W459-L462 HydrophobicContact CZ3-CD1 4.21Å; W459-L462 HydrophobicContact CZ3-CD2 3.91Å; W459-L462 PolarHBondContact O-N 2.96Å; W459-T463 WeakPolarHBondContact O-CB 3.45Å; W459-T463 PolarHBondContact O-N 3.3Å; W459-T463 PolarHBondContact O-OG1 3.29Å; W459-L505 HydrophobicContact CB-CD1 4.28Å; W459-L505 HydrophobicContact CB-CD2 3.97Å; W459-F578 HydrophobicContact CZ3-CD1 4.4Å; W459-F582 HydrophobicContact CD2-CE2 4.21Å; W459-F582 AromaticContact CE2-CE1 3.98Å; W459-F582 AromaticContact CE2-CE2 3.3Å; W459-F582 AromaticContact CE2-CZ 3.3Å; W459-F582 AromaticContact CH2-CE2 3.65Å; W459-F582 HydrophobicContact CH2-CE2 3.65Å; W459-F582 AromaticContact CH2-CZ 3.93Å; W459-F582 HydrophobicContact CH2-CZ 3.93Å; W459-F582 HydrophobicContact CZ2-CD2 4.23Å; W459-F582 HydrophobicContact CZ2-CE1 4.02Å; W459-F582 AromaticContact CZ2-CE2 3.07Å; W459-F582 HydrophobicContact CZ2-CE2 3.07Å; W459-F582 AromaticContact CZ2-CZ 2.98Å; W459-F582 HydrophobicContact CZ2-CZ 2.98Å; W459-F582 HydrophobicContact CZ3-CE2 4.4Å; W459-F582 AromaticContact NE1-CE1 3.5Å; W459-F582 AromaticContact NE1-CE2 3.6Å; W459-F582 AromaticContact NE1-CZ 3.33Å; W459-F582 VanDerWaalsContact NE1-CZ 3.33Å
460L85Confident80.7Confident1 Ų145.1 Ų45.11%0.00524%0.24CC..Hα-helixtrans-61.8-50.8174.5-173.953.3000110.8G456 N457 F458 L462 T463 V464 M498 C501 A502 L505G456-L460 PolarHBondContact O-N 2.83Å; N457-L460 WeakPolarHBondContact O-CB 3.13Å; N457-L460 PolarHBondContact O-N 3.25Å; F458-L460 VanDerWaalsContact C-N 3.35Å; L460-L462 PolarHBondContact O-N 3.31Å; L460-T463 PolarHBondContact O-N 3.18Å; L460-V464 HydrophobicContact CD1-CG2 4.04Å; L460-V464 HydrophobicContact CG-CG2 4.48Å; L460-V464 WeakPolarHBondContact O-CB 3.5Å; L460-V464 WeakPolarHBondContact O-CG2 3.23Å; L460-V464 PolarHBondContact O-N 3.34Å; L460-M498 HydrophobicContact CD1-CE 4.44Å; L460-M498 HydrophobicContact CD1-SD 3.95Å; L460-M498 HydrophobicContact CD2-CE 3.49Å; L460-M498 VanDerWaalsContact CD2-CE 3.49Å; L460-M498 HydrophobicContact CD2-SD 3.97Å; L460-M498 HydrophobicContact CG-CE 3.94Å; L460-M498 HydrophobicContact CG-SD 3.7Å; L460-C501 HydrophobicContact CD1-CB 4.03Å; L460-A502 HydrophobicContact CD1-CB 3.86Å; L460-A502 HydrophobicContact CD2-CB 3.81Å; L460-L505 HydrophobicContact CB-CD2 3.69Å
461V83.8Confident82.6Confident29 Ų2941.3 Ų41.318%0.17622%0.22CC..Hα-helixtrans-55.3-51.5175.8167.70000110.4L444 N457 F458 T463 V464 T465L444-V461 HydrophobicContact CB-CG2 4.41Å; L444-V461 HydrophobicContact CD1-CG1 3.71Å; L444-V461 HydrophobicContact CD1-CG2 4.07Å; L444-V461 HydrophobicContact CG-CG2 4.15Å; N457-V461 WeakPolarHBondContact O-CG2 3.33Å; N457-V461 PolarHBondContact O-N 2.91Å; F458-V461 PolarHBondContact O-N 2.7Å; V461-T463 VanDerWaalsContact C-N 3.29Å; V461-T463 PolarHBondContact O-N 3.42Å; V461-V464 PolarHBondContact O-N 2.86Å; V461-T465 WeakPolarHBondContact O-CB 3.28Å; V461-T465 PolarHBondContact O-N 3.04Å; V461-T465 PolarHBondContact O-OG1 3.35Å
462L87.1Confident84.2Confident64 Ų6441.6 Ų41.634%0.33522%0.22SC..Hα-helixtrans-58.5-42.7-179.2-175.2151.3000112F458 W459 L460 S466F458-L462 HydrophobicContact CE1-CD1 4.28Å; F458-L462 HydrophobicContact CZ-CD1 4.35Å; F458-L462 WeakPolarHBondContact O-CB 3.27Å; F458-L462 PolarHBondContact O-N 3.24Å; W459-L462 HydrophobicContact CE3-CD2 4.24Å; W459-L462 HydrophobicContact CH2-CD1 4.37Å; W459-L462 HydrophobicContact CZ3-CD1 4.21Å; W459-L462 HydrophobicContact CZ3-CD2 3.91Å; W459-L462 PolarHBondContact O-N 2.96Å; L460-L462 PolarHBondContact O-N 3.31Å; L462-S466 VanDerWaalsContact O-CB 3.31Å; L462-S466 WeakPolarHBondContact O-CB 3.32Å; L462-S466 PolarHBondContact O-N 3.01Å
463T91.1Very high85.8Confident8 Ų834.5 Ų34.55%0.04918%0.184CC..Hα-helixtrans-65.5-46179.7-550000110.9W459 L460 V461 S466 V467 C501 H570 L575W459-T463 WeakPolarHBondContact O-CB 3.45Å; W459-T463 PolarHBondContact O-N 3.3Å; W459-T463 PolarHBondContact O-OG1 3.29Å; L460-T463 PolarHBondContact O-N 3.18Å; V461-T463 VanDerWaalsContact C-N 3.29Å; V461-T463 PolarHBondContact O-N 3.42Å; T463-S466 WeakPolarHBondContact O-CB 3.38Å; T463-S466 PolarHBondContact O-N 2.91Å; T463-V467 WeakPolarHBondContact O-CG2 3.27Å; T463-V467 PolarHBondContact O-N 2.78Å; T463-C501 HydrophobicContact CG2-CB 4.27Å; T463-H570 HydrophobicContact CG2-CB 4.04Å; T463-L575 HydrophobicContact CG2-CD1 4.43Å
464V89.7Confident87Confident5 Ų534.3 Ų34.33%0.0318%0.183CC..Hα-helixtrans-69.5-41.6-177.6169.70000111.2L460 V461 S466 V467 E468 L494 A497 M498L460-V464 HydrophobicContact CD1-CG2 4.04Å; L460-V464 HydrophobicContact CG-CG2 4.48Å; L460-V464 WeakPolarHBondContact O-CB 3.5Å; L460-V464 WeakPolarHBondContact O-CG2 3.23Å; L460-V464 PolarHBondContact O-N 3.34Å; V461-V464 PolarHBondContact O-N 2.86Å; V464-S466 VanDerWaalsContact C-N 3.3Å; V464-S466 PolarHBondContact O-N 2.67Å; V464-V467 PolarHBondContact O-N 2.78Å; V464-E468 PolarHBondContact O-N 2.85Å; V464-L494 HydrophobicContact CG1-CD1 3.42Å; V464-L494 VanDerWaalsContact CG1-CD1 3.42Å; V464-A497 HydrophobicContact CG1-CB 4.32Å; V464-A497 HydrophobicContact CG2-CB 4.24Å; V464-M498 HydrophobicContact CB-SD 4.2Å; V464-M498 HydrophobicContact CG1-CG 4.06Å; V464-M498 HydrophobicContact CG1-SD 4.19Å; V464-M498 HydrophobicContact CG2-CG 3.89Å; V464-M498 HydrophobicContact CG2-SD 3.4Å; V464-M498 WeakPolarHBondContact CG2-SD 3.26Å
465T87.1Confident87.8Confident47 Ų4730.1 Ų30.129%0.28816%0.155SC..Hα-helixtrans-61.4-38.7171.3-58.80000111.5V461 E468 L469V461-T465 WeakPolarHBondContact O-CB 3.28Å; V461-T465 PolarHBondContact O-N 3.04Å; V461-T465 PolarHBondContact O-OG1 3.35Å; T465-E468 PolarHBondContact O-N 2.99Å; T465-L469 HydrophobicContact CG2-CD1 4Å; T465-L469 HydrophobicContact CG2-CG 4.27Å; T465-L469 WeakPolarHBondContact O-CB 3.36Å; T465-L469 VanDerWaalsContact O-CG 3.3Å; T465-L469 WeakPolarHBondContact O-CG 3.28Å; T465-L469 PolarHBondContact O-N 3.47Å
466S93.6Very high88.4Confident13 Ų1325.2 Ų25.29%0.09113%0.131CC..Hα-helixtrans-65.8-38.3175.9-1650000112.5Y241 Y244 L462 T463 V464 G470 H570Y241-S466 PolarHBondContact OH-OG 3.1Å; Y241-S466 VanDerWaalsContact OH-OG 3.06Å; Y244-S466 PolarHBondContact OH-O 3.37Å; L462-S466 VanDerWaalsContact O-CB 3.31Å; L462-S466 WeakPolarHBondContact O-CB 3.32Å; L462-S466 PolarHBondContact O-N 3.01Å; T463-S466 WeakPolarHBondContact O-CB 3.38Å; T463-S466 PolarHBondContact O-N 2.91Å; V464-S466 VanDerWaalsContact C-N 3.3Å; V464-S466 PolarHBondContact O-N 2.67Å; S466-G470 PolarHBondContact O-N 3.45Å; S466-H570 PolarHBondContact OG-NE2 2.96Å
467V94.6Very high89.1Confident0 Ų028 Ų280%014%0.144CC..Hα-helixtrans-63.7-48.1171.8174.60000110.8T463 V464 G470 V471 T493 A497 C566 H570T463-V467 WeakPolarHBondContact O-CG2 3.27Å; T463-V467 PolarHBondContact O-N 2.78Å; V464-V467 PolarHBondContact O-N 2.78Å; V467-G470 PolarHBondContact O-N 2.96Å; V467-V471 HydrophobicContact CG1-CG2 4.4Å; V467-V471 WeakPolarHBondContact O-CG2 3.39Å; V467-V471 PolarHBondContact O-N 3.26Å; V467-T493 HydrophobicContact CG1-CG2 3.92Å; V467-A497 HydrophobicContact CB-CB 4.05Å; V467-A497 HydrophobicContact CG1-CB 3.84Å; V467-A497 HydrophobicContact CG2-CB 4.29Å; V467-C566 HydrophobicContact CG1-CB 4.07Å; V467-H570 HydrophobicContact CG2-CB 3.77Å; V467-H570 WeakPolarHBondContact CG2-ND1 3.35Å
468E89.1Confident89.8Confident14 Ų1432.9 Ų32.97%0.06516%0.162CC..Hα-helixtrans-61.9-46.7-178.9-171.6172.8-174.900111.8S436 V440 V464 T465 G470 V471 L472S436-E468 PolarHBondContact OG-OE1 3.45Å; V440-E468 WeakPolarHBondContact CG2-OE2 3.34Å; V464-E468 PolarHBondContact O-N 2.85Å; T465-E468 PolarHBondContact O-N 2.99Å; E468-G470 VanDerWaalsContact C-N 3.31Å; E468-G470 PolarHBondContact O-N 3.28Å; E468-V471 PolarHBondContact O-N 3.23Å; E468-L472 VanDerWaalsContact O-CB 3.31Å; E468-L472 WeakPolarHBondContact O-CB 3.46Å; E468-L472 PolarHBondContact O-N 2.79Å
469L90.5Very high90.2Very high85 Ų8533.6 Ų33.645%0.44517%0.171SC..Hα-helixtrans-62.9-35.9176.1-72.2176.2000112.5C252 T465 G473C252-L469 PolarHBondContact SG-O 2.99Å; T465-L469 HydrophobicContact CG2-CD1 4Å; T465-L469 HydrophobicContact CG2-CG 4.27Å; T465-L469 WeakPolarHBondContact O-CB 3.36Å; T465-L469 VanDerWaalsContact O-CG 3.3Å; T465-L469 WeakPolarHBondContact O-CG 3.28Å; T465-L469 PolarHBondContact O-N 3.47Å; L469-G473 PolarHBondContact O-N 3.34Å
470G93.9Very high90.4Very high0 Ų032 Ų320%017%0.166CC..Hα-helixtrans-77.8-31.6176.800000114.3Y244 S248 S466 V467 E468 L474Y244-G470 VanDerWaalsContact OH-CA 3.23Å; Y244-G470 WeakPolarHBondContact OH-CA 3.3Å; S248-G470 WeakPolarHBondContact OG-CA 3.35Å; S466-G470 PolarHBondContact O-N 3.45Å; V467-G470 PolarHBondContact O-N 2.96Å; E468-G470 VanDerWaalsContact C-N 3.31Å; E468-G470 PolarHBondContact O-N 3.28Å; G470-L474 WeakPolarHBondContact O-CB 3.49Å; G470-L474 WeakPolarHBondContact O-CG 3.23Å; G470-L474 PolarHBondContact O-N 2.96Å
471V94.3Very high90.1Very high1 Ų132.7 Ų32.71%0.00617%0.173CC..Hα-helixtrans-64.7-45.8168.71750000110V467 E468 G473 M475 L490 T493 L562 C566V467-V471 HydrophobicContact CG1-CG2 4.4Å; V467-V471 WeakPolarHBondContact O-CG2 3.39Å; V467-V471 PolarHBondContact O-N 3.26Å; E468-V471 PolarHBondContact O-N 3.23Å; V471-G473 PolarHBondContact O-N 3.44Å; V471-M475 WeakPolarHBondContact O-CB 3.35Å; V471-M475 WeakPolarHBondContact O-CG 3.42Å; V471-M475 PolarHBondContact O-N 3.01Å; V471-L490 HydrophobicContact CG1-CD2 4.08Å; V471-T493 HydrophobicContact CB-CG2 4.08Å; V471-T493 HydrophobicContact CG1-CG2 4.42Å; V471-T493 HydrophobicContact CG2-CG2 3.68Å; V471-L562 HydrophobicContact CG1-CB 4.26Å; V471-L562 HydrophobicContact CG2-CB 4.4Å; V471-C566 HydrophobicContact CG2-CB 3.89Å
472L89.7Confident89.8Confident30 Ų3031.9 Ų31.916%0.15717%0.168CC..Hα-helixtrans-59.9-44.5176.4-179.568.1000112.5I255 E468 M475 T476 M482 L490I255-L472 HydrophobicContact CD1-CD1 4.31Å; I255-L472 HydrophobicContact CD1-CD2 4.18Å; I255-L472 HydrophobicContact CD1-CG 4.31Å; E468-L472 VanDerWaalsContact O-CB 3.31Å; E468-L472 WeakPolarHBondContact O-CB 3.46Å; E468-L472 PolarHBondContact O-N 2.79Å; L472-M475 HydrophobicContact CD1-CE 3.63Å; L472-M475 VanDerWaalsContact O-CG 3.26Å; L472-M475 WeakPolarHBondContact O-CG 3.34Å; L472-T476 WeakPolarHBondContact O-CG2 3.26Å; L472-M482 HydrophobicContact CD1-SD 4.06Å; L472-L490 HydrophobicContact CB-CD2 4.16Å; L472-L490 HydrophobicContact CD1-CD1 3.85Å; L472-L490 HydrophobicContact CD1-CD2 4.48Å
473G91.1Very high89.2Confident0 Ų030.3 Ų30.30%016%0.159CC..Hα-helixtrans-75.9-43-179.600000113.6S248 G251 L469 V471 M475 T476 L477S248-G473 WeakPolarHBondContact O-CA 3.35Å; G251-G473 WeakPolarHBondContact CA-O 3.49Å; L469-G473 PolarHBondContact O-N 3.34Å; V471-G473 PolarHBondContact O-N 3.44Å; G473-M475 VanDerWaalsContact C-N 3.34Å; G473-M475 PolarHBondContact O-N 2.8Å; G473-T476 PolarHBondContact O-N 3.32Å; G473-T476 PolarHBondContact O-OG1 2.82Å; G473-L477 WeakPolarHBondContact O-CG 3.29Å; G473-L477 PolarHBondContact O-N 3.37Å
474L95.2Very high88.6Confident44 Ų4430.5 Ų30.523%0.2316%0.161CC..Hα-helixtrans-71.9-29.8-179.9-64.9172.2000111.8Y244 F247 G470 L477 W478 L562Y244-L474 HydrophobicContact CD2-CD1 4.37Å; Y244-L474 HydrophobicContact CE2-CD1 4.06Å; F247-L474 HydrophobicContact CB-CD2 4.22Å; G470-L474 WeakPolarHBondContact O-CB 3.49Å; G470-L474 WeakPolarHBondContact O-CG 3.23Å; G470-L474 PolarHBondContact O-N 2.96Å; L474-L477 HydrophobicContact CD2-CD1 4.36Å; L474-L477 PolarHBondContact O-N 3.31Å; L474-W478 VanDerWaalsContact O-CB 3.32Å; L474-W478 WeakPolarHBondContact O-CB 3.07Å; L474-W478 PolarHBondContact O-N 3.45Å; L474-L562 HydrophobicContact CB-CD1 4.16Å; L474-L562 HydrophobicContact CB-CD2 3.82Å; L474-L562 HydrophobicContact CD1-CD2 4.28Å
475M91.4Very high88.3Confident1 Ų130.5 Ų30.51%0.00516%0.161CC..Hα-helixtrans-67.8-36.717677.3-178.1-157.300111.7V471 L472 G473 W478 N479 V480 M482 L490 L562V471-M475 WeakPolarHBondContact O-CB 3.35Å; V471-M475 WeakPolarHBondContact O-CG 3.42Å; V471-M475 PolarHBondContact O-N 3.01Å; L472-M475 HydrophobicContact CD1-CE 3.63Å; L472-M475 VanDerWaalsContact O-CG 3.26Å; L472-M475 WeakPolarHBondContact O-CG 3.34Å; G473-M475 VanDerWaalsContact C-N 3.34Å; G473-M475 PolarHBondContact O-N 2.8Å; M475-W478 CarbonylContact O-C 3.48Å; M475-W478 PolarHBondContact O-N 2.93Å; M475-N479 PolarHBondContact O-N 3.36Å; M475-V480 HydrophobicContact CB-CB 4.16Å; M475-V480 VanDerWaalsContact O-CB 3.31Å; M475-V480 WeakPolarHBondContact O-CB 3.45Å; M475-V480 PolarHBondContact O-N 3.36Å; M475-M482 HydrophobicContact CE-CG 4.48Å; M475-M482 HydrophobicContact CE-SD 3.22Å; M475-M482 WeakPolarHBondContact CE-SD 3.16Å; M475-L490 HydrophobicContact CE-CD1 4.29Å; M475-L490 HydrophobicContact SD-CD2 4.42Å; M475-L562 VanDerWaalsContact CA-CD1 3.48Å; M475-L562 HydrophobicContact CB-CD1 3.63Å
476T89.3Confident88.2Confident13 Ų1328.3 Ų28.38%0.0815%0.147CC..Hα-helixtrans-68.6-41.9176.358.40000110.7G251 I255 L472 G473 W478 N479G251-T476 VanDerWaalsContact CA-OG1 3.23Å; G251-T476 WeakPolarHBondContact CA-OG1 3.42Å; G251-T476 PolarHBondContact O-OG1 3.49Å; I255-T476 HydrophobicContact CB-CG2 4.3Å; I255-T476 HydrophobicContact CG1-CG2 3.82Å; L472-T476 WeakPolarHBondContact O-CG2 3.26Å; G473-T476 PolarHBondContact O-N 3.32Å; G473-T476 PolarHBondContact O-OG1 2.82Å; T476-W478 PolarHBondContact O-N 2.82Å; T476-N479 WeakPolarHBondContact O-CA 3.46Å; T476-N479 PolarHBondContact O-N 3.48Å
477L92.4Very high87.7Confident63 Ų6328.3 Ų28.333%0.3315%0.146SC..Hα-helixtrans-63-28172-64.3179.4000112.6F247 M250 G473 L474 N479F247-L477 HydrophobicContact CB-CD1 4.16Å; F247-L477 HydrophobicContact CD1-CD1 4.02Å; F247-L477 WeakPolarHBondContact O-CD1 3.4Å; M250-L477 HydrophobicContact CE-CD1 3.83Å; M250-L477 HydrophobicContact CE-CD2 3.55Å; M250-L477 HydrophobicContact CE-CG 4.37Å; G473-L477 WeakPolarHBondContact O-CG 3.29Å; G473-L477 PolarHBondContact O-N 3.37Å; L474-L477 HydrophobicContact CD2-CD1 4.36Å; L474-L477 PolarHBondContact O-N 3.31Å; L477-N479 PolarHBondContact O-N 3.06Å
478W93.4Very high87.3Confident113 Ų11328.4 Ų28.443%0.42815%0.146SC..THydrogen-bonded Turntrans-85.716.6173.1-152.6-8.6000113.8L474 M475 T476 V480 K558 L561 L562L474-W478 VanDerWaalsContact O-CB 3.32Å; L474-W478 WeakPolarHBondContact O-CB 3.07Å; L474-W478 PolarHBondContact O-N 3.45Å; M475-W478 CarbonylContact O-C 3.48Å; M475-W478 PolarHBondContact O-N 2.93Å; T476-W478 PolarHBondContact O-N 2.82Å; W478-V480 VanDerWaalsContact C-N 3.29Å; W478-V480 PolarHBondContact O-N 3.1Å; W478-K558 HydrophobicContact CD2-CD 4.34Å; W478-K558 HydrophobicContact CD2-CG 4.4Å; W478-K558 HydrophobicContact CG-CD 4.32Å; W478-K558 PolarHBondContact O-NZ 2.65Å; W478-L561 HydrophobicContact CH2-CD2 3.83Å; W478-L561 HydrophobicContact CZ3-CD2 4.29Å; W478-L562 HydrophobicContact CE3-CD1 3.95Å; W478-L562 HydrophobicContact CE3-CD2 3.9Å; W478-L562 HydrophobicContact CE3-CG 3.84Å; W478-L562 HydrophobicContact CZ3-CD2 3.94Å; W478-L562 HydrophobicContact CZ3-CG 3.94Å
479N89.3Confident87.3Confident136 Ų13627.8 Ų27.873%0.72714%0.144SC*.THydrogen-bonded Turntrans55.941.4178.1-163.831.9000112.7M475 T476 L477M475-N479 PolarHBondContact O-N 3.36Å; T476-N479 WeakPolarHBondContact O-CA 3.46Å; T476-N479 PolarHBondContact O-N 3.48Å; L477-N479 PolarHBondContact O-N 3.06Å
480V86.4Confident87.1Confident6 Ų624.4 Ų24.44%0.03613%0.126CC..  trans-102.6115169.3-175.40000107.8M475 W478 T555 K558M475-V480 HydrophobicContact CB-CB 4.16Å; M475-V480 VanDerWaalsContact O-CB 3.31Å; M475-V480 WeakPolarHBondContact O-CB 3.45Å; M475-V480 PolarHBondContact O-N 3.36Å; W478-V480 VanDerWaalsContact C-N 3.29Å; W478-V480 PolarHBondContact O-N 3.1Å; V480-T555 HydrophobicContact CG1-CG2 3.66Å; V480-K558 HydrophobicContact CG2-CB 4.02Å; V480-K558 HydrophobicContact CG2-CD 3.44Å; V480-K558 VanDerWaalsContact CG2-CD 3.44Å; V480-K558 HydrophobicContact CG2-CG 4.42Å
481G79.1Confident86.7Confident15 Ų1525.1 Ų25.116%0.15513%0.13CC..  trans-78.4163.6177.200000112.6S256 D483 S486S256-G481 WeakPolarHBondContact O-CA 3.08Å; G481-D483 PolarHBondContact O-N 2.8Å; G481-D483 VanDerWaalsContact O-N 3.16Å; G481-S486 PolarHBondContact O-OG 2.94Å
482M76.7Confident86.6Confident12 Ų1225 Ų256%0.05913%0.129CC..BIsolated β-bridgetrans-70.5106.8173.7-68.7-64.5-73.500110.7I255 S256 G258 P432 L472 M475 S486 I487 L490I255-M482 HydrophobicContact CG2-CG 3.57Å; S256-M482 PolarHBondContact O-N 3.13Å; S256-M482 VanDerWaalsContact O-N 3.12Å; G258-M482 WeakPolarHBondContact CA-O 3.28Å; G258-M482 PolarHBondContact N-O 2.94Å; P432-M482 HydrophobicContact CB-CE 4.06Å; L472-M482 HydrophobicContact CD1-SD 4.06Å; M475-M482 HydrophobicContact CE-CG 4.48Å; M475-M482 HydrophobicContact CE-SD 3.22Å; M475-M482 WeakPolarHBondContact CE-SD 3.16Å; M482-S486 WeakPolarHBondContact CA-OG 3.23Å; M482-I487 HydrophobicContact CE-CG1 4.2Å; M482-L490 HydrophobicContact CE-CD1 4.17Å; M482-L490 HydrophobicContact SD-CD1 4.45Å
483D75.4Confident86.7Confident30 Ų3023.6 Ų23.616%0.1612%0.122CC..  trans-127.517817572.820.9000110.7G481 I485 S486 I487 T555G481-D483 PolarHBondContact O-N 2.8Å; G481-D483 VanDerWaalsContact O-N 3.16Å; D483-I485 PolarHBondContact O-N 2.8Å; D483-I485 WeakPolarHBondContact OD1-CA 2.97Å; D483-I485 PolarHBondContact OD1-N 3.45Å; D483-S486 PolarHBondContact N-OG 2.78Å; D483-S486 PolarHBondContact O-N 3.28Å; D483-S486 PolarHBondContact O-OG 3.47Å; D483-S486 VanDerWaalsContact O-OG 3.11Å; D483-S486 PolarHBondContact OD1-N 3.44Å; D483-I487 WeakPolarHBondContact O-CD1 3.19Å; D483-I487 VanDerWaalsContact O-CG1 3.25Å; D483-I487 WeakPolarHBondContact O-CG1 3.37Å; D483-I487 PolarHBondContact O-N 2.9Å; D483-T555 PolarHBondContact OD2-OG1 2.79Å
484S77.6Confident86.5Confident12 Ų1223.9 Ų23.98%0.08412%0.123CC..Hα-helixtrans-63.4-25.7-179.5500000113.9L488S484-L488 WeakPolarHBondContact O-CD1 3.4Å; S484-L488 VanDerWaalsContact O-CG 3.23Å; S484-L488 WeakPolarHBondContact O-CG 3.5Å; S484-L488 PolarHBondContact O-N 3.38Å
485I84.3Confident86.2Confident6 Ų621.8 Ų21.83%0.03111%0.112CC..Hα-helixtrans-81.9-41.9178.2-72.3-153.4000111.2T63 D483 I487 L488 C489 L552 T555 L556T63-I485 HydrophobicContact CG2-CG1 4.31Å; D483-I485 PolarHBondContact O-N 2.8Å; D483-I485 WeakPolarHBondContact OD1-CA 2.97Å; D483-I485 PolarHBondContact OD1-N 3.45Å; I485-I487 PolarHBondContact O-N 2.96Å; I485-L488 CarbonylContact O-C 3.49Å; I485-L488 WeakPolarHBondContact O-CA 3.08Å; I485-L488 WeakPolarHBondContact O-CB 3.43Å; I485-L488 PolarHBondContact O-N 3.22Å; I485-C489 PolarHBondContact O-N 3.19Å; I485-C489 PolarHBondContact O-SG 2.98Å; I485-C489 VanDerWaalsContact O-SG 3.34Å; I485-L552 HydrophobicContact CB-CD1 4.34Å; I485-L552 HydrophobicContact CD1-CB 4.47Å; I485-L552 HydrophobicContact CD1-CD1 3.08Å; I485-L552 HydrophobicContact CD1-CD2 3.97Å; I485-L552 HydrophobicContact CD1-CG 3.23Å; I485-L552 HydrophobicContact CG1-CD1 3.43Å; I485-L552 VanDerWaalsContact CG1-CD1 3.43Å; I485-L552 HydrophobicContact CG1-CG 4.16Å; I485-T555 HydrophobicContact CB-CG2 4.28Å; I485-T555 HydrophobicContact CG2-CG2 3.99Å; I485-L556 HydrophobicContact CG2-CB 4Å; I485-L556 HydrophobicContact CG2-CD1 4.28Å
486S85.4Confident86.3Confident0 Ų021.8 Ų21.80%011%0.112CC..Hα-helixtrans-60-38.317771.40000110.8G481 M482 D483 L488 C489 L490G481-S486 PolarHBondContact O-OG 2.94Å; M482-S486 WeakPolarHBondContact CA-OG 3.23Å; D483-S486 PolarHBondContact N-OG 2.78Å; D483-S486 PolarHBondContact O-N 3.28Å; D483-S486 PolarHBondContact O-OG 3.47Å; D483-S486 VanDerWaalsContact O-OG 3.11Å; D483-S486 PolarHBondContact OD1-N 3.44Å; S486-L488 PolarHBondContact O-N 2.87Å; S486-C489 WeakPolarHBondContact O-CB 3.23Å; S486-C489 PolarHBondContact O-N 3.18Å; S486-L490 WeakPolarHBondContact O-CG 3.41Å; S486-L490 PolarHBondContact O-N 3.2Å
487I82Confident86.5Confident13 Ų1321.1 Ų21.17%0.06711%0.108CC..Hα-helixtrans-58.5-47.2171.3-63.6165.7000111.4I131 P432 M482 D483 I485 C489 L490 I491I131-I487 HydrophobicContact CD1-CD1 4.04Å; P432-I487 HydrophobicContact CB-CD1 3.9Å; P432-I487 HydrophobicContact CB-CG1 3.93Å; P432-I487 HydrophobicContact CG-CD1 3.42Å; P432-I487 VanDerWaalsContact CG-CD1 3.42Å; P432-I487 HydrophobicContact CG-CG1 4.02Å; M482-I487 HydrophobicContact CE-CG1 4.2Å; D483-I487 WeakPolarHBondContact O-CD1 3.19Å; D483-I487 VanDerWaalsContact O-CG1 3.25Å; D483-I487 WeakPolarHBondContact O-CG1 3.37Å; D483-I487 PolarHBondContact O-N 2.9Å; I485-I487 PolarHBondContact O-N 2.96Å; I487-C489 VanDerWaalsContact C-N 3.34Å; I487-C489 PolarHBondContact O-N 3.5Å; I487-L490 PolarHBondContact O-N 3.36Å; I487-I491 HydrophobicContact CG2-CD1 4.19Å; I487-I491 WeakPolarHBondContact O-CG1 3.36Å; I487-I491 PolarHBondContact O-N 2.97Å
488L86.1Confident86.3Confident2 Ų218.5 Ų18.51%0.0110%0.095CC..Hα-helixtrans-64.5-38.1177.8-70.7171.2000112.2F70 V134 F137 S484 I485 S486 L490 I491 Y492F70-L488 HydrophobicContact CE2-CB 4.49Å; V134-L488 HydrophobicContact CB-CD2 4.45Å; V134-L488 HydrophobicContact CG1-CD2 3.78Å; V134-L488 HydrophobicContact CG1-CG 4.49Å; V134-L488 HydrophobicContact CG2-CG 4.4Å; F137-L488 HydrophobicContact CB-CD1 3.88Å; F137-L488 HydrophobicContact CB-CD2 4.23Å; F137-L488 HydrophobicContact CD1-CB 4.47Å; F137-L488 HydrophobicContact CD1-CD1 3.62Å; F137-L488 HydrophobicContact CD1-CD2 3.25Å; F137-L488 HydrophobicContact CD1-CG 3.94Å; F137-L488 HydrophobicContact CD2-CD1 3.76Å; F137-L488 HydrophobicContact CE1-CB 4.23Å; F137-L488 HydrophobicContact CE1-CD1 4Å; F137-L488 HydrophobicContact CE1-CD2 3.73Å; F137-L488 HydrophobicContact CE1-CG 4.2Å; F137-L488 HydrophobicContact CE2-CD1 4.14Å; F137-L488 HydrophobicContact CG-CD1 3.47Å; F137-L488 VanDerWaalsContact CG-CD1 3.47Å; F137-L488 HydrophobicContact CG-CD2 3.9Å; F137-L488 HydrophobicContact CG-CG 4.28Å; F137-L488 HydrophobicContact CZ-CD1 4.25Å; S484-L488 WeakPolarHBondContact O-CD1 3.4Å; S484-L488 VanDerWaalsContact O-CG 3.23Å; S484-L488 WeakPolarHBondContact O-CG 3.5Å; S484-L488 PolarHBondContact O-N 3.38Å; I485-L488 CarbonylContact O-C 3.49Å; I485-L488 WeakPolarHBondContact O-CA 3.08Å; I485-L488 WeakPolarHBondContact O-CB 3.43Å; I485-L488 PolarHBondContact O-N 3.22Å; S486-L488 PolarHBondContact O-N 2.87Å; L488-L490 VanDerWaalsContact C-N 3.35Å; L488-I491 PolarHBondContact O-N 3.34Å; L488-Y492 WeakPolarHBondContact O-CB 3.4Å; L488-Y492 PolarHBondContact O-N 3.31Å
489C89.8Confident86.1Confident1 Ų113.2 Ų13.21%0.0077%0.074CC..Hα-helixtrans-65.2-36.5174-68.30000112I485 S486 I487 Y492 T493 C559I485-C489 PolarHBondContact O-N 3.19Å; I485-C489 PolarHBondContact O-SG 2.98Å; I485-C489 VanDerWaalsContact O-SG 3.34Å; S486-C489 WeakPolarHBondContact O-CB 3.23Å; S486-C489 PolarHBondContact O-N 3.18Å; I487-C489 VanDerWaalsContact C-N 3.34Å; I487-C489 PolarHBondContact O-N 3.5Å; C489-Y492 PolarHBondContact O-N 3.36Å; C489-T493 WeakPolarHBondContact O-CB 3.01Å; C489-T493 PolarHBondContact O-N 3.18Å; C489-T493 PolarHBondContact O-OG1 3.4Å; C489-C559 HydrophobicContact CB-CB 3.48Å; C489-C559 VanDerWaalsContact CB-CB 3.48Å; C489-C559 VanDerWaalsContact SG-CB 3.52Å
490L87.1Confident86.3Confident14 Ų146.8 Ų6.87%0.0734%0.04CC..Hα-helixtrans-67.1-44.7175.2-71.3170.3000111.2V471 L472 M475 M482 S486 I487 L488 Y492 T493 L494V471-L490 HydrophobicContact CG1-CD2 4.08Å; L472-L490 HydrophobicContact CB-CD2 4.16Å; L472-L490 HydrophobicContact CD1-CD1 3.85Å; L472-L490 HydrophobicContact CD1-CD2 4.48Å; M475-L490 HydrophobicContact CE-CD1 4.29Å; M475-L490 HydrophobicContact SD-CD2 4.42Å; M482-L490 HydrophobicContact CE-CD1 4.17Å; M482-L490 HydrophobicContact SD-CD1 4.45Å; S486-L490 WeakPolarHBondContact O-CG 3.41Å; S486-L490 PolarHBondContact O-N 3.2Å; I487-L490 PolarHBondContact O-N 3.36Å; L488-L490 VanDerWaalsContact C-N 3.35Å; L490-Y492 VanDerWaalsContact C-N 3.27Å; L490-Y492 PolarHBondContact O-N 3.31Å; L490-T493 WeakPolarHBondContact O-CB 3.49Å; L490-T493 PolarHBondContact O-N 2.79Å; L490-T493 VanDerWaalsContact O-N 3.12Å; L490-L494 PolarHBondContact O-N 2.82Å; L490-L494 VanDerWaalsContact O-N 3.11Å
491I85.5Confident86.5Confident15 Ų156.5 Ų6.58%0.0774%0.039CC..Hα-helixtrans-57.4-42.5172.8-67.5169000110.9T120 F121 I487 L488 N495T120-I491 HydrophobicContact CG2-CG2 3.91Å; F121-I491 HydrophobicContact CD1-CG2 3.88Å; F121-I491 HydrophobicContact CE1-CB 4.5Å; F121-I491 HydrophobicContact CE1-CG2 3.69Å; F121-I491 HydrophobicContact CG-CG2 4.47Å; F121-I491 HydrophobicContact CZ-CG2 4.13Å; I487-I491 HydrophobicContact CG2-CD1 4.19Å; I487-I491 WeakPolarHBondContact O-CG1 3.36Å; I487-I491 PolarHBondContact O-N 2.97Å; L488-I491 PolarHBondContact O-N 3.34Å; I491-N495 PolarHBondContact O-ND2 3.18Å
492Y91.4Very high86.9Confident0 Ų05.9 Ų5.90%03%0.032CC..Hα-helixtrans-66.7-41.2175.5-178.2-104.7000112.3F70 Y117 F121 L488 C489 L490 L494 N495 F496 F538 T563F70-Y492 HydrophobicContact CB-CD2 3.77Å; F70-Y492 HydrophobicContact CB-CE2 3.64Å; F70-Y492 HydrophobicContact CB-CG 4.45Å; F70-Y492 AromaticContact CD1-CD1 3.94Å; F70-Y492 HydrophobicContact CD1-CD1 3.94Å; F70-Y492 HydrophobicContact CD1-CD2 4.15Å; F70-Y492 HydrophobicContact CD1-CE1 4.05Å; F70-Y492 HydrophobicContact CD1-CE2 4.25Å; F70-Y492 AromaticContact CD1-CG 3.98Å; F70-Y492 HydrophobicContact CD1-CG 3.98Å; F70-Y492 AromaticContact CD2-CD2 3.95Å; F70-Y492 HydrophobicContact CD2-CD2 3.95Å; F70-Y492 AromaticContact CD2-CG 3.99Å; F70-Y492 HydrophobicContact CD2-CG 3.99Å; F70-Y492 HydrophobicContact CE1-CD1 4.07Å; F70-Y492 HydrophobicContact CE1-CE1 4.5Å; F70-Y492 HydrophobicContact CE1-CG 4.22Å; F70-Y492 HydrophobicContact CE2-CG 4.24Å; F70-Y492 HydrophobicContact CG-CD1 4.31Å; F70-Y492 AromaticContact CG-CD2 3.7Å; F70-Y492 HydrophobicContact CG-CD2 3.7Å; F70-Y492 AromaticContact CG-CE2 3.94Å; F70-Y492 HydrophobicContact CG-CE2 3.94Å; F70-Y492 AromaticContact CG-CG 3.89Å; F70-Y492 HydrophobicContact CG-CG 3.89Å; F70-Y492 HydrophobicContact CZ-CG 4.36Å; F70-Y492 PolarHBondContact O-OH 3.16Å; Y117-Y492 HydrophobicContact CE1-CD2 4.01Å; Y117-Y492 AromaticContact CE1-CE2 3.84Å; Y117-Y492 HydrophobicContact CE1-CE2 3.84Å; F121-Y492 HydrophobicContact CZ-CD2 4.28Å; L488-Y492 WeakPolarHBondContact O-CB 3.4Å; L488-Y492 PolarHBondContact O-N 3.31Å; C489-Y492 PolarHBondContact O-N 3.36Å; L490-Y492 VanDerWaalsContact C-N 3.27Å; L490-Y492 PolarHBondContact O-N 3.31Å; Y492-L494 VanDerWaalsContact C-N 3.3Å; Y492-L494 PolarHBondContact O-N 3.12Å; Y492-N495 PolarHBondContact O-N 2.74Å; Y492-N495 VanDerWaalsContact O-N 3.13Å; Y492-F496 HydrophobicContact CD1-CB 4.32Å; Y492-F496 HydrophobicContact CE1-CB 4.02Å; Y492-F496 AromaticContact CE1-CD2 3.8Å; Y492-F496 HydrophobicContact CE1-CD2 3.8Å; Y492-F496 HydrophobicContact CE1-CG 4.08Å; Y492-F496 AromaticContact CZ-CD2 3.76Å; Y492-F496 WeakPolarHBondContact O-CB 3.46Å; Y492-F496 PolarHBondContact O-N 2.9Å; Y492-F496 WeakPolarHBondContact OH-CD2 3.33Å; Y492-F538 HydrophobicContact CE1-CE1 4.37Å; Y492-F538 HydrophobicContact CE1-CE2 4.06Å; Y492-F538 AromaticContact CE1-CZ 3.67Å; Y492-F538 HydrophobicContact CE1-CZ 3.67Å; Y492-T563 HydrophobicContact CD1-CG2 4.37Å
493T91.9Very high87.4Confident0 Ų05.6 Ų5.60%03%0.031CC..Hα-helixtrans-56.8-44.7-180-640000111.8V467 V471 C489 L490 N495 F496 A497 T563V467-T493 HydrophobicContact CG1-CG2 3.92Å; V471-T493 HydrophobicContact CB-CG2 4.08Å; V471-T493 HydrophobicContact CG1-CG2 4.42Å; V471-T493 HydrophobicContact CG2-CG2 3.68Å; C489-T493 WeakPolarHBondContact O-CB 3.01Å; C489-T493 PolarHBondContact O-N 3.18Å; C489-T493 PolarHBondContact O-OG1 3.4Å; L490-T493 WeakPolarHBondContact O-CB 3.49Å; L490-T493 PolarHBondContact O-N 2.79Å; L490-T493 VanDerWaalsContact O-N 3.12Å; T493-N495 VanDerWaalsContact C-N 3.28Å; T493-N495 PolarHBondContact O-N 3.42Å; T493-F496 PolarHBondContact O-N 3.48Å; T493-A497 VanDerWaalsContact O-CB 3.25Å; T493-A497 WeakPolarHBondContact O-CB 3.29Å; T493-A497 PolarHBondContact O-N 3.43Å; T493-T563 HydrophobicContact CG2-CG2 4.07Å; T493-T563 WeakPolarHBondContact OG1-CG2 3.2Å; T493-T563 PolarHBondContact OG1-OG1 3.13Å
494L86.9Confident87.9Confident5 Ų54.3 Ų4.33%0.0262%0.024CC..Hα-helixtrans-53.8-47.4177.3179.556.8000111.4T120 V440 I443 V464 L490 Y492 M498T120-L494 HydrophobicContact CG2-CD2 4.14Å; V440-L494 HydrophobicContact CG2-CD1 4.27Å; V440-L494 HydrophobicContact CG2-CD2 4.27Å; I443-L494 HydrophobicContact CD1-CD1 4.04Å; I443-L494 HydrophobicContact CD1-CD2 3.25Å; I443-L494 HydrophobicContact CD1-CG 3.42Å; I443-L494 VanDerWaalsContact CD1-CG 3.42Å; I443-L494 HydrophobicContact CG1-CD2 4.44Å; V464-L494 HydrophobicContact CG1-CD1 3.42Å; V464-L494 VanDerWaalsContact CG1-CD1 3.42Å; L490-L494 PolarHBondContact O-N 2.82Å; L490-L494 VanDerWaalsContact O-N 3.11Å; Y492-L494 VanDerWaalsContact C-N 3.3Å; Y492-L494 PolarHBondContact O-N 3.12Å; L494-M498 VanDerWaalsContact O-CG 3.23Å; L494-M498 WeakPolarHBondContact O-CG 3.35Å; L494-M498 PolarHBondContact O-N 3.35Å
495N89.4Confident88.4Confident1 Ų13.9 Ų3.91%0.0052%0.021CC..Hα-helixtrans-74.4-41.2179.9-71.4-79.2000112.9L116 Y117 T120 I491 Y492 T493 A497 M498 D499L116-N495 PolarHBondContact O-OD1 3.36Å; Y117-N495 HydrophobicContact CD1-CB 3.99Å; Y117-N495 HydrophobicContact CD2-CB 3.73Å; Y117-N495 HydrophobicContact CE1-CB 3.67Å; Y117-N495 HydrophobicContact CE2-CB 3.45Å; Y117-N495 VanDerWaalsContact CE2-CB 3.45Å; Y117-N495 HydrophobicContact CG-CB 4.01Å; Y117-N495 VanDerWaalsContact CZ-CB 3.42Å; Y117-N495 PolarHBondContact N-OD1 3.47Å; T120-N495 VanDerWaalsContact CB-ND2 3.29Å; T120-N495 WeakPolarHBondContact CB-ND2 3.35Å; T120-N495 WeakPolarHBondContact CG2-ND2 3.19Å; T120-N495 PolarHBondContact OG1-ND2 2.9Å; T120-N495 PolarHBondContact OG1-OD1 2.67Å; I491-N495 PolarHBondContact O-ND2 3.18Å; Y492-N495 PolarHBondContact O-N 2.74Å; Y492-N495 VanDerWaalsContact O-N 3.13Å; T493-N495 VanDerWaalsContact C-N 3.28Å; T493-N495 PolarHBondContact O-N 3.42Å; N495-A497 VanDerWaalsContact C-N 3.32Å; N495-A497 PolarHBondContact O-N 2.94Å; N495-M498 WeakPolarHBondContact O-CB 3.38Å; N495-M498 PolarHBondContact O-N 3.3Å; N495-D499 PolarHBondContact O-N 3.23Å
496F93.4Very high88.2Confident0 Ų05.8 Ų5.80%03%0.028CC..Hα-helixtrans-63.7-36.7177.5-169.1-93.8000112.1Y492 T493 H500 T535 F538 T563 T567Y492-F496 HydrophobicContact CD1-CB 4.32Å; Y492-F496 HydrophobicContact CE1-CB 4.02Å; Y492-F496 AromaticContact CE1-CD2 3.8Å; Y492-F496 HydrophobicContact CE1-CD2 3.8Å; Y492-F496 HydrophobicContact CE1-CG 4.08Å; Y492-F496 AromaticContact CZ-CD2 3.76Å; Y492-F496 WeakPolarHBondContact O-CB 3.46Å; Y492-F496 PolarHBondContact O-N 2.9Å; Y492-F496 WeakPolarHBondContact OH-CD2 3.33Å; T493-F496 PolarHBondContact O-N 3.48Å; F496-H500 AromaticContact CD1-CD2 3.87Å; F496-H500 AromaticContact CE1-CD2 3.53Å; F496-H500 AromaticContact CE1-NE2 3.76Å; F496-H500 AromaticContact CE2-NE2 3.49Å; F496-H500 WeakPolarHBondContact CE2-NE2 3.46Å; F496-H500 AromaticContact CZ-CD2 3.64Å; F496-H500 AromaticContact CZ-NE2 3.32Å; F496-H500 VanDerWaalsContact CZ-NE2 3.32Å; F496-H500 WeakPolarHBondContact CZ-NE2 3.35Å; F496-H500 PolarHBondContact O-CD2 3.27Å; F496-T535 HydrophobicContact CZ-CG2 4.31Å; F496-F538 HydrophobicContact CE2-CD1 4.34Å; F496-F538 HydrophobicContact CE2-CG 4.46Å; F496-F538 HydrophobicContact CZ-CD1 4.24Å; F496-T563 HydrophobicContact CB-CG2 3.94Å; F496-T563 HydrophobicContact CD1-CG2 3.66Å; F496-T563 HydrophobicContact CE1-CG2 4.46Å; F496-T563 HydrophobicContact CG-CG2 3.96Å; F496-T567 HydrophobicContact CD1-CG2 4.09Å; F496-T567 HydrophobicContact CE1-CG2 4.16Å
497A92.6Very high88.2Confident0 Ų06.7 Ų6.70%03%0.034CC..Hα-helixtrans-67.3-44.6173.400000111.6V464 V467 T493 N495 D499 H500 C501V464-A497 HydrophobicContact CG1-CB 4.32Å; V464-A497 HydrophobicContact CG2-CB 4.24Å; V467-A497 HydrophobicContact CB-CB 4.05Å; V467-A497 HydrophobicContact CG1-CB 3.84Å; V467-A497 HydrophobicContact CG2-CB 4.29Å; T493-A497 VanDerWaalsContact O-CB 3.25Å; T493-A497 WeakPolarHBondContact O-CB 3.29Å; T493-A497 PolarHBondContact O-N 3.43Å; N495-A497 VanDerWaalsContact C-N 3.32Å; N495-A497 PolarHBondContact O-N 2.94Å; A497-D499 VanDerWaalsContact C-N 3.31Å; A497-D499 PolarHBondContact O-N 3.47Å; A497-H500 PolarHBondContact O-N 3.27Å; A497-C501 VanDerWaalsContact O-CB 3.26Å; A497-C501 WeakPolarHBondContact O-CB 3.44Å; A497-C501 PolarHBondContact O-N 3.41Å; A497-C501 PolarHBondContact O-SG 2.82Å
498M87.9Confident88.3Confident8 Ų87.7 Ų7.74%0.0394%0.037CC..Hα-helixtrans-58.8-43175.5-75.2-68.7-61.900111.8L116 T447 L460 V464 L494 N495 H500 A502L116-M498 HydrophobicContact CD1-CE 4.28Å; T447-M498 HydrophobicContact CG2-CE 3.46Å; T447-M498 VanDerWaalsContact CG2-CE 3.46Å; L460-M498 HydrophobicContact CD1-CE 4.44Å; L460-M498 HydrophobicContact CD1-SD 3.95Å; L460-M498 HydrophobicContact CD2-CE 3.49Å; L460-M498 VanDerWaalsContact CD2-CE 3.49Å; L460-M498 HydrophobicContact CD2-SD 3.97Å; L460-M498 HydrophobicContact CG-CE 3.94Å; L460-M498 HydrophobicContact CG-SD 3.7Å; V464-M498 HydrophobicContact CB-SD 4.2Å; V464-M498 HydrophobicContact CG1-CG 4.06Å; V464-M498 HydrophobicContact CG1-SD 4.19Å; V464-M498 HydrophobicContact CG2-CG 3.89Å; V464-M498 HydrophobicContact CG2-SD 3.4Å; V464-M498 WeakPolarHBondContact CG2-SD 3.26Å; L494-M498 VanDerWaalsContact O-CG 3.23Å; L494-M498 WeakPolarHBondContact O-CG 3.35Å; L494-M498 PolarHBondContact O-N 3.35Å; N495-M498 WeakPolarHBondContact O-CB 3.38Å; N495-M498 PolarHBondContact O-N 3.3Å; M498-H500 PolarHBondContact O-N 3.38Å; M498-A502 WeakPolarHBondContact O-CB 3.29Å; M498-A502 PolarHBondContact O-N 3.35Å; M498-A502 VanDerWaalsContact O-N 3.07Å
499D89.9Confident88Confident1 Ų19.5 Ų9.51%0.0055%0.048CC..Hα-helixtrans-55.5-37.9179.9-85.3-18.5000114.1K77 T113 Y117 N495 A497 P503K77-D499 HydrophobicContact CD-CB 3.9Å; K77-D499 IonicContact NZ-OD1 3.74Å; K77-D499 PolarHBondContact NZ-OD1 2.92Å; T113-D499 WeakPolarHBondContact CB-OD1 3.04Å; T113-D499 WeakPolarHBondContact CG2-OD1 3.23Å; Y117-D499 WeakPolarHBondContact CE2-OD2 3.32Å; Y117-D499 VanDerWaalsContact CZ-OD2 3.23Å; Y117-D499 PolarHBondContact OH-OD2 3.02Å; N495-D499 PolarHBondContact O-N 3.23Å; A497-D499 VanDerWaalsContact C-N 3.31Å; A497-D499 PolarHBondContact O-N 3.47Å; D499-P503 VanDerWaalsContact O-CD 3.28Å; D499-P503 WeakPolarHBondContact O-CD 3.25Å; D499-P503 WeakPolarHBondContact O-CG 3.14Å
500H92.5Very high87.4Confident1 Ų115.3 Ų15.31%0.0058%0.079CC..Hα-helixtrans-101.3-33-172.3-64.1-46.6000112.8F496 A497 M498 H504 I531 N534 T567 C571F496-H500 AromaticContact CD1-CD2 3.87Å; F496-H500 AromaticContact CE1-CD2 3.53Å; F496-H500 AromaticContact CE1-NE2 3.76Å; F496-H500 AromaticContact CE2-NE2 3.49Å; F496-H500 WeakPolarHBondContact CE2-NE2 3.46Å; F496-H500 AromaticContact CZ-CD2 3.64Å; F496-H500 AromaticContact CZ-NE2 3.32Å; F496-H500 VanDerWaalsContact CZ-NE2 3.32Å; F496-H500 WeakPolarHBondContact CZ-NE2 3.35Å; F496-H500 PolarHBondContact O-CD2 3.27Å; A497-H500 PolarHBondContact O-N 3.27Å; M498-H500 PolarHBondContact O-N 3.38Å; H500-H504 PolarHBondContact O-CD2 2.99Å; H500-H504 VanDerWaalsContact O-CD2 3.25Å; H500-I531 HydrophobicContact CB-CD1 4.41Å; H500-I531 HydrophobicContact CB-CG1 4.49Å; H500-I531 HydrophobicContact CB-CG2 4.12Å; H500-N534 PolarHBondContact CE1-ND2 2.97Å; H500-N534 PolarHBondContact NE2-ND2 3.45Å; H500-T567 HydrophobicContact CB-CG2 3.74Å; H500-C571 WeakPolarHBondContact CB-SG 3.49Å
501C91.4Very high86.9Confident1 Ų115.5 Ų15.51%0.0078%0.082CC..Hα-helixtrans-79.6-35.1178.9-68.90000113L460 T463 A497 L505 C571 L575L460-C501 HydrophobicContact CD1-CB 4.03Å; T463-C501 HydrophobicContact CG2-CB 4.27Å; A497-C501 VanDerWaalsContact O-CB 3.26Å; A497-C501 WeakPolarHBondContact O-CB 3.44Å; A497-C501 PolarHBondContact O-N 3.41Å; A497-C501 PolarHBondContact O-SG 2.82Å; C501-L505 PolarHBondContact O-N 2.99Å; C501-C571 PolarHBondContact SG-SG 2.93Å; C501-L575 HydrophobicContact CB-CD2 4.36Å
502A87.4Confident85.8Confident2 Ų218.4 Ų18.42%0.01710%0.101CC..Hα-helixtrans-65.4-46.2-172.800000113.4L460 M498 H504 L505 Y506L460-A502 HydrophobicContact CD1-CB 3.86Å; L460-A502 HydrophobicContact CD2-CB 3.81Å; M498-A502 WeakPolarHBondContact O-CB 3.29Å; M498-A502 PolarHBondContact O-N 3.35Å; M498-A502 VanDerWaalsContact O-N 3.07Å; A502-H504 VanDerWaalsContact C-N 3.34Å; A502-H504 PolarHBondContact O-N 3.29Å; A502-L505 PolarHBondContact O-N 3.3Å; A502-L505 VanDerWaalsContact O-N 3.13Å; A502-Y506 VanDerWaalsContact C-CD2 3.49Å; A502-Y506 HydrophobicContact CB-CD2 4.14Å; A502-Y506 HydrophobicContact CB-CE2 3.48Å; A502-Y506 VanDerWaalsContact CB-CE2 3.48Å; A502-Y506 WeakPolarHBondContact O-CD2 3.26Å; A502-Y506 VanDerWaalsContact O-CG 3.24Å; A502-Y506 PolarHBondContact O-N 3.03Å
503P86.5Confident84.4Confident5 Ų523.7 Ų23.73%0.03213%0.126CC..Hα-helixtrans-57.2-43.5178.4-25.635.6000113.2D499 L505 Y506 T507 H527D499-P503 VanDerWaalsContact O-CD 3.28Å; D499-P503 WeakPolarHBondContact O-CD 3.25Å; D499-P503 WeakPolarHBondContact O-CG 3.14Å; P503-L505 VanDerWaalsContact C-N 3.33Å; P503-L505 PolarHBondContact O-N 3.04Å; P503-Y506 PolarHBondContact O-N 3.43Å; P503-T507 PolarHBondContact O-N 2.98Å; P503-T507 PolarHBondContact O-OG1 3.47Å; P503-H527 HydrophobicContact CB-CB 4.41Å
504H87.6Confident83.2Confident4 Ų428.2 Ų28.22%0.01915%0.146CC..Hα-helixtrans-58.6-45.1176.3-74-54000112.3H500 A502 F508 A523 I531 L575H500-H504 PolarHBondContact O-CD2 2.99Å; H500-H504 VanDerWaalsContact O-CD2 3.25Å; A502-H504 VanDerWaalsContact C-N 3.34Å; A502-H504 PolarHBondContact O-N 3.29Å; H504-F508 VanDerWaalsContact O-CB 3.3Å; H504-F508 WeakPolarHBondContact O-CB 3.47Å; H504-F508 PolarHBondContact O-N 2.72Å; H504-A523 PolarHBondContact CE1-O 3.2Å; H504-A523 PolarHBondContact ND1-O 3.33Å; H504-I531 WeakPolarHBondContact NE2-CD1 3.21Å; H504-L575 HydrophobicContact CB-CD2 4.22Å
505L86.9Confident83Confident3 Ų332.1 Ų32.12%0.01617%0.171CC..Hα-helixtrans-71-36.7-178.5-168.163.8000112G456 W459 L460 C501 A502 P503 F508 V509 L579G456-L505 WeakPolarHBondContact O-CD2 3.37Å; W459-L505 HydrophobicContact CB-CD1 4.28Å; W459-L505 HydrophobicContact CB-CD2 3.97Å; L460-L505 HydrophobicContact CB-CD2 3.69Å; C501-L505 PolarHBondContact O-N 2.99Å; A502-L505 PolarHBondContact O-N 3.3Å; A502-L505 VanDerWaalsContact O-N 3.13Å; P503-L505 VanDerWaalsContact C-N 3.33Å; P503-L505 PolarHBondContact O-N 3.04Å; L505-F508 PolarHBondContact O-N 3.17Å; L505-V509 WeakPolarHBondContact O-CB 3.28Å; L505-V509 VanDerWaalsContact O-CG2 3.23Å; L505-V509 WeakPolarHBondContact O-CG2 3.21Å; L505-V509 PolarHBondContact O-N 2.8Å; L505-L579 HydrophobicContact CD1-CD1 3.9Å; L505-L579 HydrophobicContact CD1-CD2 3.48Å; L505-L579 VanDerWaalsContact CD1-CD2 3.48Å; L505-L579 HydrophobicContact CD1-CG 4.31Å
506Y81.4Confident82.5Confident45 Ų4537.5 Ų37.518%0.17619%0.191CC..Hα-helixtrans-66.8-48.7176.1-62.5-40.9000111.9M112 V451 A502 P503 F508 V509 L510M112-Y506 HydrophobicContact CE-CE2 3.86Å; V451-Y506 HydrophobicContact CB-CE1 4.34Å; V451-Y506 HydrophobicContact CG1-CD1 4.48Å; V451-Y506 HydrophobicContact CG1-CE1 3.76Å; V451-Y506 HydrophobicContact CG2-CE1 3.57Å; V451-Y506 WeakPolarHBondContact CG2-OH 3.39Å; A502-Y506 VanDerWaalsContact C-CD2 3.49Å; A502-Y506 HydrophobicContact CB-CD2 4.14Å; A502-Y506 HydrophobicContact CB-CE2 3.48Å; A502-Y506 VanDerWaalsContact CB-CE2 3.48Å; A502-Y506 WeakPolarHBondContact O-CD2 3.26Å; A502-Y506 VanDerWaalsContact O-CG 3.24Å; A502-Y506 PolarHBondContact O-N 3.03Å; P503-Y506 PolarHBondContact O-N 3.43Å; Y506-F508 VanDerWaalsContact C-N 3.27Å; Y506-F508 PolarHBondContact O-N 3.35Å; Y506-V509 PolarHBondContact O-N 3.2Å; Y506-L510 WeakPolarHBondContact O-CB 2.96Å; Y506-L510 VanDerWaalsContact O-CG 3.27Å; Y506-L510 WeakPolarHBondContact O-CG 3.37Å; Y506-L510 PolarHBondContact O-N 2.91Å
507T83.4Confident82Confident20 Ų2039.9 Ų39.912%0.12321%0.206CC..Hα-helixtrans-58-42.7174.8-63.90000110.3P503 V509 L510 A511 L522 A523 E526 H527P503-T507 PolarHBondContact O-N 2.98Å; P503-T507 PolarHBondContact O-OG1 3.47Å; T507-V509 PolarHBondContact O-N 3.49Å; T507-L510 PolarHBondContact O-N 3.42Å; T507-A511 WeakPolarHBondContact O-CB 3.24Å; T507-A511 PolarHBondContact O-N 2.84Å; T507-L522 HydrophobicContact CG2-CD2 4Å; T507-L522 HydrophobicContact CG2-CG 4.34Å; T507-A523 HydrophobicContact CG2-CB 3.92Å; T507-E526 WeakPolarHBondContact CG2-OE2 3.44Å; T507-E526 PolarHBondContact OG1-OE2 3.06Å; T507-H527 PolarHBondContact OG1-NE2 3.03Å
508F84.3Confident81.7Confident33 Ų3344.7 Ų44.715%0.14523%0.228CC..Hα-helixtrans-60.5-45.4176.2177.5-97.6000113.2H504 L505 Y506 C519 I520 L579H504-F508 VanDerWaalsContact O-CB 3.3Å; H504-F508 WeakPolarHBondContact O-CB 3.47Å; H504-F508 PolarHBondContact O-N 2.72Å; L505-F508 PolarHBondContact O-N 3.17Å; Y506-F508 VanDerWaalsContact C-N 3.27Å; Y506-F508 PolarHBondContact O-N 3.35Å; F508-C519 HydrophobicContact CD2-CB 3.71Å; F508-C519 HydrophobicContact CE2-CB 4.07Å; F508-I520 HydrophobicContact CD2-CG1 3.82Å; F508-I520 HydrophobicContact CE2-CD1 4.21Å; F508-I520 HydrophobicContact CE2-CG1 3.87Å; F508-L579 HydrophobicContact CB-CD1 4.27Å; F508-L579 HydrophobicContact CD1-CD1 4.12Å; F508-L579 HydrophobicContact CD1-CD2 4.03Å; F508-L579 HydrophobicContact CD1-CG 4.46Å; F508-L579 HydrophobicContact CD2-CB 4.41Å; F508-L579 HydrophobicContact CD2-CD1 4.32Å; F508-L579 HydrophobicContact CE1-CB 4.2Å; F508-L579 HydrophobicContact CE1-CD2 3.93Å; F508-L579 HydrophobicContact CE1-CG 4.45Å; F508-L579 HydrophobicContact CE2-CB 4.06Å; F508-L579 HydrophobicContact CG-CD1 3.98Å; F508-L579 HydrophobicContact CZ-CB 3.94Å
509V80.3Confident81.6Confident40 Ų4044.6 Ų44.624%0.24223%0.228CC..Hα-helixtrans-70.9-34.3-178.6168.70000112.2N453 L505 Y506 T507N453-V509 HydrophobicContact CB-CG1 3.84Å; N453-V509 WeakPolarHBondContact ND2-CG1 3.29Å; L505-V509 WeakPolarHBondContact O-CB 3.28Å; L505-V509 VanDerWaalsContact O-CG2 3.23Å; L505-V509 WeakPolarHBondContact O-CG2 3.21Å; L505-V509 PolarHBondContact O-N 2.8Å; Y506-V509 PolarHBondContact O-N 3.2Å; T507-V509 PolarHBondContact O-N 3.49Å
510L78.4Confident81.5Confident124 Ų12444.6 Ų44.665%0.64923%0.228SC*.Hα-helixtrans-79.7-29.9179.9-68.4172.1000112.6Y506 T507 T512Y506-L510 WeakPolarHBondContact O-CB 2.96Å; Y506-L510 VanDerWaalsContact O-CG 3.27Å; Y506-L510 WeakPolarHBondContact O-CG 3.37Å; Y506-L510 PolarHBondContact O-N 2.91Å; T507-L510 PolarHBondContact O-N 3.42Å; L510-T512 PolarHBondContact O-N 3.38Å
511A74.8Confident81.3Confident18 Ų1846.6 Ų46.615%0.14924%0.237CC..  trans-69.373.4176.100000111.8T507 C519 L522T507-A511 WeakPolarHBondContact O-CB 3.24Å; T507-A511 PolarHBondContact O-N 2.84Å; A511-C519 HydrophobicContact CB-CB 3.99Å; A511-C519 PolarHBondContact O-SG 2.78Å; A511-L522 HydrophobicContact CB-CD2 4.3Å
512T63.4Low81.1Confident75 Ų7550.1 Ų50.146%0.4626%0.255SS..  trans-86.7-8.8-174.951.30000114.7L510L510-T512 PolarHBondContact O-N 3.38Å
513E61.5Low81.1Confident112 Ų11250.1 Ų50.152%0.52326%0.255SS..SBendtrans-101.4-5-176-59.2-161.4174.900113.8K596E513-K596 IonicContact OE1-NZ 2.6Å; E513-K596 PolarHBondContact OE1-NZ 2.92Å; E513-K596 IonicContact OE2-NZ 2.65Å
514H67.9Low81.3Confident94 Ų9450 Ų5044%0.43525%0.254SS..SBendtrans-110.1164.4-175.3-61.2-72.4000113.9Q518H514-Q518 HydrophobicContact CB-CB 4.18Å; H514-Q518 HydrophobicContact CB-CG 4.25Å
515T81.3Confident81.3Confident87 Ų8752.1 Ų52.153%0.53426%0.264SS..  trans-67.8153169.865.10000110.3T517 Q518 C519T515-T517 VanDerWaalsContact C-N 3.28Å; T515-T517 PolarHBondContact O-N 2.97Å; T515-Q518 CarbonylContact O-C 3.49Å; T515-Q518 WeakPolarHBondContact O-CA 3.49Å; T515-Q518 WeakPolarHBondContact O-CB 3.33Å; T515-Q518 PolarHBondContact O-N 3.31Å; T515-Q518 VanDerWaalsContact OG1-CB 3.32Å; T515-Q518 WeakPolarHBondContact OG1-CB 3.37Å; T515-Q518 PolarHBondContact OG1-N 2.83Å; T515-C519 PolarHBondContact O-N 2.84Å; T515-C519 PolarHBondContact O-SG 3.48Å
516R78.8Confident81.2Confident114 Ų11454.3 Ų54.343%0.4327%0.274SS..Hα-helixtrans-49.4-49-177.5-66.4178.9-74.5-178-9112.8Q518 C519 I520 T580 F582R516-Q518 VanDerWaalsContact C-N 3.3Å; R516-Q518 PolarHBondContact O-N 3.37Å; R516-C519 PolarHBondContact O-N 3.32Å; R516-I520 WeakPolarHBondContact O-CD1 3.17Å; R516-I520 WeakPolarHBondContact O-CG1 3.34Å; R516-I520 PolarHBondContact O-N 2.88Å; R516-I520 VanDerWaalsContact O-N 3.16Å; R516-T580 PolarHBondContact NH1-O 3.14Å; R516-F582 WeakPolarHBondContact CD-O 2.85Å
517T84.4Confident81.6Confident51 Ų5153.5 Ų53.531%0.31327%0.272SS..Hα-helixtrans-58.8-44.3177.8-57.20000111.1T229 T515 I520 K521T229-T517 HydrophobicContact CG2-CG2 3.87Å; T515-T517 VanDerWaalsContact C-N 3.28Å; T515-T517 PolarHBondContact O-N 2.97Å; T517-I520 WeakPolarHBondContact O-CB 3.44Å; T517-I520 PolarHBondContact O-N 3.18Å; T517-K521 WeakPolarHBondContact O-CG 3.49Å; T517-K521 PolarHBondContact O-N 3.34Å
518Q84.8Confident82Confident101 Ų10152.6 Ų52.647%0.47227%0.266SS..Hα-helixtrans-72.3-32.8-178.9-168.4161.610.400113.1H514 T515 R516 I520 K521 L522H514-Q518 HydrophobicContact CB-CB 4.18Å; H514-Q518 HydrophobicContact CB-CG 4.25Å; T515-Q518 CarbonylContact O-C 3.49Å; T515-Q518 WeakPolarHBondContact O-CA 3.49Å; T515-Q518 WeakPolarHBondContact O-CB 3.33Å; T515-Q518 PolarHBondContact O-N 3.31Å; T515-Q518 VanDerWaalsContact OG1-CB 3.32Å; T515-Q518 WeakPolarHBondContact OG1-CB 3.37Å; T515-Q518 PolarHBondContact OG1-N 2.83Å; R516-Q518 VanDerWaalsContact C-N 3.3Å; R516-Q518 PolarHBondContact O-N 3.37Å; Q518-I520 VanDerWaalsContact C-N 3.28Å; Q518-I520 PolarHBondContact O-N 3.08Å; Q518-K521 PolarHBondContact O-N 3.48Å; Q518-L522 WeakPolarHBondContact O-CB 3.31Å; Q518-L522 PolarHBondContact O-N 3.09Å
519C86.5Confident82.4Confident5 Ų551.3 Ų51.33%0.03426%0.262CS..Hα-helixtrans-60.8-39.6170.2-58.10000111.6F508 A511 T515 R516 A523F508-C519 HydrophobicContact CD2-CB 3.71Å; F508-C519 HydrophobicContact CE2-CB 4.07Å; A511-C519 HydrophobicContact CB-CB 3.99Å; A511-C519 PolarHBondContact O-SG 2.78Å; T515-C519 PolarHBondContact O-N 2.84Å; T515-C519 PolarHBondContact O-SG 3.48Å; R516-C519 PolarHBondContact O-N 3.32Å; C519-A523 WeakPolarHBondContact O-CB 3.11Å; C519-A523 PolarHBondContact O-N 3.02Å
520I87.8Confident83Confident2 Ų249.6 Ų49.61%0.0125%0.252CS..Hα-helixtrans-69.2-45.1177.2-69.1158.5000110.8T229 F508 R516 T517 Q518 L522 A523 L524 P576 L579 T580T229-I520 HydrophobicContact CG2-CG2 4.07Å; F508-I520 HydrophobicContact CD2-CG1 3.82Å; F508-I520 HydrophobicContact CE2-CD1 4.21Å; F508-I520 HydrophobicContact CE2-CG1 3.87Å; R516-I520 WeakPolarHBondContact O-CD1 3.17Å; R516-I520 WeakPolarHBondContact O-CG1 3.34Å; R516-I520 PolarHBondContact O-N 2.88Å; R516-I520 VanDerWaalsContact O-N 3.16Å; T517-I520 WeakPolarHBondContact O-CB 3.44Å; T517-I520 PolarHBondContact O-N 3.18Å; Q518-I520 VanDerWaalsContact C-N 3.28Å; Q518-I520 PolarHBondContact O-N 3.08Å; I520-L522 VanDerWaalsContact C-N 3.32Å; I520-L522 PolarHBondContact O-N 3.44Å; I520-A523 PolarHBondContact O-N 3.43Å; I520-L524 HydrophobicContact CG2-CD1 4.08Å; I520-L524 WeakPolarHBondContact O-CD1 3.43Å; I520-L524 PolarHBondContact O-N 3.4Å; I520-P576 WeakPolarHBondContact CD1-O 3.41Å; I520-P576 HydrophobicContact CG2-CB 3.72Å; I520-L579 HydrophobicContact CD1-CB 4.23Å; I520-L579 HydrophobicContact CG1-CB 4.45Å; I520-T580 HydrophobicContact CD1-CG2 3.31Å
521K88.4Confident83.8Confident43 Ų4343.8 Ų43.819%0.18722%0.222CC..Hα-helixtrans-55.4-49.7174.8-65.2-158.9174.6-171.30110.6E226 T229 T517 Q518 A523 L524 E525E226-K521 IonicContact OE1-NZ 2.68Å; E226-K521 PolarHBondContact OE1-NZ 3.3Å; T229-K521 HydrophobicContact CG2-CG 4.26Å; T517-K521 WeakPolarHBondContact O-CG 3.49Å; T517-K521 PolarHBondContact O-N 3.34Å; Q518-K521 PolarHBondContact O-N 3.48Å; K521-A523 PolarHBondContact O-N 2.85Å; K521-L524 PolarHBondContact O-N 3.02Å; K521-E525 WeakPolarHBondContact O-CB 3.43Å; K521-E525 VanDerWaalsContact O-CG 3.29Å; K521-E525 WeakPolarHBondContact O-CG 3.29Å; K521-E525 PolarHBondContact O-N 2.91Å
522L86.5Confident84.7Confident74 Ų7445 Ų4539%0.38723%0.225SC..Hα-helixtrans-56.5-47.6176.8-172.681000112T507 A511 Q518 I520 L524 E525 E526T507-L522 HydrophobicContact CG2-CD2 4Å; T507-L522 HydrophobicContact CG2-CG 4.34Å; A511-L522 HydrophobicContact CB-CD2 4.3Å; Q518-L522 WeakPolarHBondContact O-CB 3.31Å; Q518-L522 PolarHBondContact O-N 3.09Å; I520-L522 VanDerWaalsContact C-N 3.32Å; I520-L522 PolarHBondContact O-N 3.44Å; L522-L524 VanDerWaalsContact C-N 3.33Å; L522-L524 PolarHBondContact O-N 3.31Å; L522-E525 PolarHBondContact O-N 3.1Å; L522-E526 VanDerWaalsContact O-CB 3.27Å; L522-E526 WeakPolarHBondContact O-CB 3.47Å; L522-E526 PolarHBondContact O-N 2.88Å
523A88.7Confident86.2Confident2 Ų241.6 Ų41.62%0.01720%0.204CC..Hα-helixtrans-64.4-35.7-179.600000113.1H504 T507 C519 I520 K521 H527H504-A523 PolarHBondContact CE1-O 3.2Å; H504-A523 PolarHBondContact ND1-O 3.33Å; T507-A523 HydrophobicContact CG2-CB 3.92Å; C519-A523 WeakPolarHBondContact O-CB 3.11Å; C519-A523 PolarHBondContact O-N 3.02Å; I520-A523 PolarHBondContact O-N 3.43Å; K521-A523 PolarHBondContact O-N 2.85Å; A523-H527 PolarHBondContact O-N 2.89Å
524L90.2Very high87.8Confident3 Ų336.3 Ų36.32%0.01618%0.179CC..Hα-helixtrans-74.9-38.3176.4-97.871.8000112.3Y224 T225 I228 I520 K521 L522 G528 F572 P576Y224-L524 HydrophobicContact CD1-CD2 3.8Å; Y224-L524 HydrophobicContact CE1-CD2 3.63Å; T225-L524 HydrophobicContact CG2-CB 3.79Å; T225-L524 HydrophobicContact CG2-CD2 4.12Å; I228-L524 HydrophobicContact CG2-CD2 4.26Å; I520-L524 HydrophobicContact CG2-CD1 4.08Å; I520-L524 WeakPolarHBondContact O-CD1 3.43Å; I520-L524 PolarHBondContact O-N 3.4Å; K521-L524 PolarHBondContact O-N 3.02Å; L522-L524 VanDerWaalsContact C-N 3.33Å; L522-L524 PolarHBondContact O-N 3.31Å; L524-G528 WeakPolarHBondContact O-CA 3.49Å; L524-G528 PolarHBondContact O-N 3.19Å; L524-F572 HydrophobicContact CD2-CD1 4.44Å; L524-P576 HydrophobicContact CD1-CB 4.35Å; L524-P576 HydrophobicContact CD1-CG 3.82Å
525E86.9Confident89.1Confident49 Ų4931.9 Ų31.923%0.22916%0.159CC..Hα-helixtrans-66.4-40.6175.5-73170.3-148.400111.2Q217 R221 T225 K521 L522Q217-E525 PolarHBondContact NE2-O 3.44Å; Q217-E525 PolarHBondContact OE1-O 3.39Å; R221-E525 HydrophobicContact CB-CG 4.05Å; R221-E525 HydrophobicContact CG-CG 4.13Å; T225-E525 HydrophobicContact CG2-CG 4.4Å; K521-E525 WeakPolarHBondContact O-CB 3.43Å; K521-E525 VanDerWaalsContact O-CG 3.29Å; K521-E525 WeakPolarHBondContact O-CG 3.29Å; K521-E525 PolarHBondContact O-N 2.91Å; L522-E525 PolarHBondContact O-N 3.1Å
526E85.8Confident89.7Confident48 Ų4830.7 Ų30.722%0.22415%0.154CC..Hα-helixtrans-69.9-46.1-176.1-174.6170.9-141.600113R88 T507 L522R88-E526 IonicContact CZ-OE1 3.67Å; R88-E526 IonicContact NH1-OE1 3.21Å; R88-E526 PolarHBondContact NH1-OE1 3.31Å; T507-E526 WeakPolarHBondContact CG2-OE2 3.44Å; T507-E526 PolarHBondContact OG1-OE2 3.06Å; L522-E526 VanDerWaalsContact O-CB 3.27Å; L522-E526 WeakPolarHBondContact O-CB 3.47Å; L522-E526 PolarHBondContact O-N 2.88Å
527H89.9Confident90.4Very high29 Ų2925.3 Ų25.313%0.13413%0.134CC..Hα-helixtrans-108.9-21.8-171-60.6-66.5000113.8P503 T507 A523 A529 A530 I531P503-H527 HydrophobicContact CB-CB 4.41Å; T507-H527 PolarHBondContact OG1-NE2 3.03Å; A523-H527 PolarHBondContact O-N 2.89Å; H527-A529 PolarHBondContact O-N 3.03Å; H527-A530 PolarHBondContact O-N 2.74Å; H527-I531 HydrophobicContact CB-CD1 4Å; H527-I531 VanDerWaalsContact O-CG1 3.31Å; H527-I531 WeakPolarHBondContact O-CG1 3.34Å; H527-I531 PolarHBondContact O-N 3.02Å; H527-I531 VanDerWaalsContact O-N 3.09Å
528G92.1Very high90.9Very high0 Ų023 Ų230%012%0.12CC..Hα-helixtrans-63.8-37.8-167.300000114.1L220 L524 I531 L532 F572L220-G528 VanDerWaalsContact CD1-C 3.45Å; L524-G528 WeakPolarHBondContact O-CA 3.49Å; L524-G528 PolarHBondContact O-N 3.19Å; G528-I531 PolarHBondContact O-N 3.4Å; G528-L532 WeakPolarHBondContact O-CG 3.42Å; G528-L532 PolarHBondContact O-N 3.27Å; G528-F572 WeakPolarHBondContact O-CZ 3.43Å
529A91.4Very high91.4Very high6 Ų619.7 Ų19.75%0.0511%0.107CC..Hα-helixtrans-65.6-43.417900000112.1I216 Q217 L220 H527 L532 Q533I216-A529 HydrophobicContact CB-CB 4.47Å; I216-A529 HydrophobicContact CG2-CB 3.98Å; Q217-A529 VanDerWaalsContact OE1-CB 3.25Å; L220-A529 HydrophobicContact CD1-CB 4.28Å; H527-A529 PolarHBondContact O-N 3.03Å; A529-L532 PolarHBondContact O-N 3.12Å; A529-Q533 WeakPolarHBondContact O-CB 3.3Å; A529-Q533 VanDerWaalsContact O-CG 3.26Å; A529-Q533 WeakPolarHBondContact O-CG 3.41Å; A529-Q533 PolarHBondContact O-N 2.86Å
530A93.1Very high91.8Very high5 Ų522.3 Ų22.34%0.04112%0.119CC..Hα-helixtrans-64.4-41.2177.300000111.6F80 E81 A84 H527 Q533 N534F80-A530 HydrophobicContact CB-CB 4.39Å; E81-A530 HydrophobicContact CG-CB 4.12Å; A84-A530 HydrophobicContact CB-CB 3.95Å; H527-A530 PolarHBondContact O-N 2.74Å; A530-Q533 PolarHBondContact O-N 2.99Å; A530-N534 WeakPolarHBondContact O-CB 3.17Å; A530-N534 PolarHBondContact O-N 3.34Å
531I94.9Very high92Very high2 Ų222.2 Ų22.21%0.0112%0.119CC..Hα-helixtrans-63-46176.9-64.2167.3000110.8H500 H504 H527 G528 Q533 N534 T535 L568 F572H500-I531 HydrophobicContact CB-CD1 4.41Å; H500-I531 HydrophobicContact CB-CG1 4.49Å; H500-I531 HydrophobicContact CB-CG2 4.12Å; H504-I531 WeakPolarHBondContact NE2-CD1 3.21Å; H527-I531 HydrophobicContact CB-CD1 4Å; H527-I531 VanDerWaalsContact O-CG1 3.31Å; H527-I531 WeakPolarHBondContact O-CG1 3.34Å; H527-I531 PolarHBondContact O-N 3.02Å; H527-I531 VanDerWaalsContact O-N 3.09Å; G528-I531 PolarHBondContact O-N 3.4Å; I531-Q533 PolarHBondContact O-N 3.31Å; I531-N534 PolarHBondContact O-N 2.75Å; I531-T535 PolarHBondContact O-N 2.77Å; I531-T535 PolarHBondContact O-OG1 2.65Å; I531-T535 VanDerWaalsContact O-OG1 3.12Å; I531-L568 HydrophobicContact CG2-CD2 4.15Å; I531-F572 HydrophobicContact CB-CE2 4.26Å; I531-F572 HydrophobicContact CB-CZ 4.28Å; I531-F572 HydrophobicContact CG2-CE2 3.72Å; I531-F572 HydrophobicContact CG2-CZ 4.24Å
532L94.6Very high92.2Very high43 Ų4320.2 Ų20.223%0.22511%0.111CC..Hα-helixtrans-63.6-41.2177.6-74.2176.9000112.2I216 L220 G528 A529 S536 L568 F572I216-L532 HydrophobicContact CG2-CB 4.37Å; I216-L532 HydrophobicContact CG2-CD1 3.8Å; L220-L532 HydrophobicContact CD1-CD1 4.09Å; L220-L532 HydrophobicContact CD2-CD1 4.09Å; L220-L532 HydrophobicContact CG-CD1 4.29Å; G528-L532 WeakPolarHBondContact O-CG 3.42Å; G528-L532 PolarHBondContact O-N 3.27Å; A529-L532 PolarHBondContact O-N 3.12Å; L532-S536 WeakPolarHBondContact O-CB 3.22Å; L532-S536 PolarHBondContact O-N 2.73Å; L532-S536 PolarHBondContact O-OG 3.26Å; L532-L568 HydrophobicContact CD2-CD2 4.15Å; L532-F572 HydrophobicContact CD1-CE1 4.36Å; L532-F572 HydrophobicContact CD1-CZ 4.28Å; L532-F572 HydrophobicContact CD2-CE2 3.99Å; L532-F572 HydrophobicContact CD2-CZ 3.97Å; L532-F572 HydrophobicContact CG-CE1 4.23Å; L532-F572 HydrophobicContact CG-CE2 4.16Å; L532-F572 HydrophobicContact CG-CZ 3.67Å
533Q93.9Very high92.4Very high3 Ų320.3 Ų20.31%0.01411%0.11CC..Hα-helixtrans-61.2-46.6175.2-73.7173.6-33.400111.1S21 F80 I216 A529 A530 I531 C537S21-Q533 PolarHBondContact O-NE2 3.27Å; F80-Q533 HydrophobicContact CB-CB 4.35Å; F80-Q533 HydrophobicContact CD1-CB 4Å; F80-Q533 HydrophobicContact CD2-CB 3.92Å; F80-Q533 HydrophobicContact CE1-CB 4.27Å; F80-Q533 HydrophobicContact CE2-CB 4.18Å; F80-Q533 HydrophobicContact CG-CB 3.84Å; F80-Q533 HydrophobicContact CZ-CB 4.36Å; I216-Q533 HydrophobicContact CD1-CG 3.92Å; A529-Q533 WeakPolarHBondContact O-CB 3.3Å; A529-Q533 VanDerWaalsContact O-CG 3.26Å; A529-Q533 WeakPolarHBondContact O-CG 3.41Å; A529-Q533 PolarHBondContact O-N 2.86Å; A530-Q533 PolarHBondContact O-N 2.99Å; I531-Q533 PolarHBondContact O-N 3.31Å; Q533-C537 WeakPolarHBondContact O-CB 3.39Å; Q533-C537 PolarHBondContact O-N 2.98Å; Q533-C537 PolarHBondContact O-SG 3.33Å
534N95.3Very high92.5Very high1 Ų120.5 Ų20.51%0.00511%0.111CC..Hα-helixtrans-61.2-55.2179.2-17048.2000111.8G73 T76 K77 F80 H500 A530 I531 S536 C537 F538G73-N534 PolarHBondContact O-ND2 2.68Å; G73-N534 PolarHBondContact O-OD1 2.86Å; G73-N534 VanDerWaalsContact O-OD1 3.13Å; T76-N534 VanDerWaalsContact C-OD1 3.29Å; T76-N534 WeakPolarHBondContact CB-OD1 3.12Å; T76-N534 PolarHBondContact OG1-OD1 3.07Å; K77-N534 PolarHBondContact N-OD1 2.83Å; F80-N534 HydrophobicContact CD2-CB 4.17Å; H500-N534 PolarHBondContact CE1-ND2 2.97Å; H500-N534 PolarHBondContact NE2-ND2 3.45Å; A530-N534 WeakPolarHBondContact O-CB 3.17Å; A530-N534 PolarHBondContact O-N 3.34Å; I531-N534 PolarHBondContact O-N 2.75Å; N534-S536 VanDerWaalsContact C-N 3.32Å; N534-S536 PolarHBondContact O-N 3.1Å; N534-C537 PolarHBondContact O-N 3.31Å; N534-F538 WeakPolarHBondContact O-CB 3.39Å; N534-F538 PolarHBondContact O-N 2.88Å
535T95.3Very high92.4Very high1 Ų120.6 Ų20.61%0.00611%0.112CC..Hα-helixtrans-66.8-35.8-175.5-520000111.9F496 I531 F538 V539 A564 L568F496-T535 HydrophobicContact CZ-CG2 4.31Å; I531-T535 PolarHBondContact O-N 2.77Å; I531-T535 PolarHBondContact O-OG1 2.65Å; I531-T535 VanDerWaalsContact O-OG1 3.12Å; T535-F538 PolarHBondContact O-N 2.77Å; T535-V539 HydrophobicContact CG2-CG2 4.32Å; T535-V539 WeakPolarHBondContact O-CB 3.4Å; T535-V539 WeakPolarHBondContact O-CG2 3.45Å; T535-V539 PolarHBondContact O-N 2.85Å; T535-A564 HydrophobicContact CG2-CB 3.69Å; T535-L568 HydrophobicContact CG2-CD1 3.49Å; T535-L568 VanDerWaalsContact CG2-CD1 3.49Å; T535-L568 HydrophobicContact CG2-CD2 4.24Å; T535-L568 HydrophobicContact CG2-CG 3.76Å
536S94.2Very high92.4Very high62 Ų6220.5 Ų20.543%0.43411%0.114SC..Hα-helixtrans-63.4-44.7174.6-58.20000111.4L532 N534 F538 V539 I540L532-S536 WeakPolarHBondContact O-CB 3.22Å; L532-S536 PolarHBondContact O-N 2.73Å; L532-S536 PolarHBondContact O-OG 3.26Å; N534-S536 VanDerWaalsContact C-N 3.32Å; N534-S536 PolarHBondContact O-N 3.1Å; S536-F538 VanDerWaalsContact C-N 3.35Å; S536-F538 PolarHBondContact O-N 2.6Å; S536-V539 PolarHBondContact O-N 3.22Å; S536-I540 WeakPolarHBondContact O-CB 3.3Å; S536-I540 WeakPolarHBondContact O-CD1 3.39Å; S536-I540 WeakPolarHBondContact O-CG1 3.18Å; S536-I540 PolarHBondContact O-N 3.29Å
537C94.6Very high92.5Very high2 Ų225.4 Ų25.41%0.01414%0.135CC..Hα-helixtrans-63.8-40.8176.2-68.70000111.8V14 F80 Q533 N534 I540 G541V14-C537 HydrophobicContact CG1-CB 4.46Å; F80-C537 HydrophobicContact CE2-CB 4.13Å; F80-C537 VanDerWaalsContact CZ-SG 3.55Å; Q533-C537 WeakPolarHBondContact O-CB 3.39Å; Q533-C537 PolarHBondContact O-N 2.98Å; Q533-C537 PolarHBondContact O-SG 3.33Å; N534-C537 PolarHBondContact O-N 3.31Å; C537-I540 PolarHBondContact O-N 2.86Å; C537-G541 PolarHBondContact O-N 3.08Å
538F94.8Very high92.3Very high3 Ų324.7 Ų24.71%0.01313%0.133CC..Hα-helixtrans-61.2-49176.3179.5-110.8000112Y492 F496 N534 T535 S536 G541 I542 A564Y492-F538 HydrophobicContact CE1-CE1 4.37Å; Y492-F538 HydrophobicContact CE1-CE2 4.06Å; Y492-F538 AromaticContact CE1-CZ 3.67Å; Y492-F538 HydrophobicContact CE1-CZ 3.67Å; F496-F538 HydrophobicContact CE2-CD1 4.34Å; F496-F538 HydrophobicContact CE2-CG 4.46Å; F496-F538 HydrophobicContact CZ-CD1 4.24Å; N534-F538 WeakPolarHBondContact O-CB 3.39Å; N534-F538 PolarHBondContact O-N 2.88Å; T535-F538 PolarHBondContact O-N 2.77Å; S536-F538 VanDerWaalsContact C-N 3.35Å; S536-F538 PolarHBondContact O-N 2.6Å; F538-G541 PolarHBondContact O-N 3.21Å; F538-I542 HydrophobicContact CE1-CD1 4.47Å; F538-I542 HydrophobicContact CE2-CG2 4.3Å; F538-I542 HydrophobicContact CZ-CG2 4.4Å; F538-I542 PolarHBondContact O-N 3.08Å; F538-I542 VanDerWaalsContact O-N 3.11Å; F538-A564 HydrophobicContact CD1-CB 4.14Å; F538-A564 HydrophobicContact CE1-CB 4.36Å
539V95.2Very high91.8Very high31 Ų3126.4 Ų26.419%0.18814%0.144CC..Hα-helixtrans-61.9-46.5177.8171.80000111T535 S536 G541 I542 M543 L561 A564T535-V539 HydrophobicContact CG2-CG2 4.32Å; T535-V539 WeakPolarHBondContact O-CB 3.4Å; T535-V539 WeakPolarHBondContact O-CG2 3.45Å; T535-V539 PolarHBondContact O-N 2.85Å; S536-V539 PolarHBondContact O-N 3.22Å; V539-G541 VanDerWaalsContact C-N 3.28Å; V539-G541 PolarHBondContact O-N 3.37Å; V539-I542 WeakPolarHBondContact O-CG1 3.4Å; V539-I542 PolarHBondContact O-N 2.72Å; V539-M543 HydrophobicContact CG1-CE 3.61Å; V539-M543 WeakPolarHBondContact O-CG 3.46Å; V539-M543 PolarHBondContact O-N 3.05Å; V539-L561 HydrophobicContact CG1-CD1 4.18Å; V539-L561 HydrophobicContact CG2-CD1 4.46Å; V539-A564 HydrophobicContact CG2-CB 3.63Å
540I94.4Very high91.5Very high59 Ų5927.2 Ų27.230%0.30315%0.149SC..Hα-helixtrans-60.4-39.6177-70.2167.6000111L13 A17 S536 C537 I542 M543L13-I540 HydrophobicContact CB-CG2 3.62Å; A17-I540 HydrophobicContact CB-CD1 3.67Å; A17-I540 HydrophobicContact CB-CG2 4.41Å; S536-I540 WeakPolarHBondContact O-CB 3.3Å; S536-I540 WeakPolarHBondContact O-CD1 3.39Å; S536-I540 WeakPolarHBondContact O-CG1 3.18Å; S536-I540 PolarHBondContact O-N 3.29Å; C537-I540 PolarHBondContact O-N 2.86Å; I540-I542 PolarHBondContact O-N 3.31Å; I540-M543 PolarHBondContact O-N 3.31Å
541G91.8Very high91Very high1 Ų129.4 Ų29.41%0.0116%0.16CC..Hα-helixtrans-64-37.1178.300000113.6S10 F69 C537 F538 V539S10-G541 WeakPolarHBondContact CB-O 3.36Å; S10-G541 PolarHBondContact OG-O 3.48Å; F69-G541 WeakPolarHBondContact CE1-O 3.17Å; C537-G541 PolarHBondContact O-N 3.08Å; F538-G541 PolarHBondContact O-N 3.21Å; V539-G541 VanDerWaalsContact C-N 3.28Å; V539-G541 PolarHBondContact O-N 3.37Å
542I92.7Very high90.4Very high1 Ų130.2 Ų30.21%0.00516%0.164CC..Hα-helixtrans-83.2-16.3179.463.4173.5000113.6F69 F538 V539 I540 L545 F557 L561F69-I542 HydrophobicContact CB-CG2 4.17Å; F69-I542 HydrophobicContact CD1-CG2 4.03Å; F69-I542 HydrophobicContact CG-CG2 4.32Å; F538-I542 HydrophobicContact CE1-CD1 4.47Å; F538-I542 HydrophobicContact CE2-CG2 4.3Å; F538-I542 HydrophobicContact CZ-CG2 4.4Å; F538-I542 PolarHBondContact O-N 3.08Å; F538-I542 VanDerWaalsContact O-N 3.11Å; V539-I542 WeakPolarHBondContact O-CG1 3.4Å; V539-I542 PolarHBondContact O-N 2.72Å; I540-I542 PolarHBondContact O-N 3.31Å; I542-L545 HydrophobicContact CB-CD1 4.24Å; I542-L545 HydrophobicContact CG2-CD1 4.46Å; I542-L545 WeakPolarHBondContact O-CB 3.43Å; I542-L545 WeakPolarHBondContact O-CG 3.47Å; I542-L545 PolarHBondContact O-N 3.21Å; I542-F557 HydrophobicContact CB-CD2 4.39Å; I542-F557 HydrophobicContact CD1-CD2 4.24Å; I542-F557 HydrophobicContact CG1-CD2 4.14Å; I542-F557 HydrophobicContact CG1-CE2 4.38Å; I542-F557 WeakPolarHBondContact O-CD2 3.43Å; I542-L561 HydrophobicContact CD1-CB 4.39Å
543M91.6Very high90.1Very high76 Ų7628.2 Ų28.237%0.37415%0.154SC..G310 helixtrans-53.6-43.6-175.7-81.6-68.3164.400114.6V539 I540 L545 V546 F557V539-M543 HydrophobicContact CG1-CE 3.61Å; V539-M543 WeakPolarHBondContact O-CG 3.46Å; V539-M543 PolarHBondContact O-N 3.05Å; I540-M543 PolarHBondContact O-N 3.31Å; M543-L545 PolarHBondContact O-N 3.1Å; M543-L545 VanDerWaalsContact O-N 3.09Å; M543-V546 WeakPolarHBondContact O-CB 3.49Å; M543-V546 WeakPolarHBondContact O-CG2 2.97Å; M543-V546 PolarHBondContact O-N 2.95Å; M543-V546 VanDerWaalsContact O-N 3.17Å; M543-F557 HydrophobicContact CE-CE2 4.17Å; M543-F557 HydrophobicContact CE-CZ 4.26Å; M543-F557 HydrophobicContact SD-CE2 3.79Å; M543-F557 HydrophobicContact SD-CZ 4.02Å
544P89.8Confident89.9Confident5 Ų531.8 Ų31.83%0.03217%0.168CC..G310 helixtrans-63.6-16.8179.8-28.440.8000114.7E6 V9 L13 V546 F547E6-P544 HydrophobicContact CB-CB 4.09Å; E6-P544 WeakPolarHBondContact O-CB 3.38Å; V9-P544 HydrophobicContact CB-CG 4.5Å; V9-P544 HydrophobicContact CG1-CG 4.03Å; L13-P544 HydrophobicContact CD1-CG 4.07Å; P544-V546 PolarHBondContact O-N 2.86Å; P544-F547 PolarHBondContact O-N 3.45Å; P544-F547 VanDerWaalsContact O-N 3.11Å
545L87.4Confident89.6Confident6 Ų632.5 Ų32.53%0.03117%0.172CC..G310 helixtrans-63.5-21.6176.2-64.9177.7000113.1F69 I542 M543 F547 V548 T553 L556 F557F69-L545 HydrophobicContact CD1-CD1 4.37Å; F69-L545 HydrophobicContact CD2-CD1 4.18Å; F69-L545 HydrophobicContact CE1-CD1 4.17Å; F69-L545 HydrophobicContact CE1-CD2 4.35Å; F69-L545 HydrophobicContact CE1-CG 4.22Å; F69-L545 HydrophobicContact CE2-CD1 3.97Å; F69-L545 HydrophobicContact CE2-CD2 3.82Å; F69-L545 HydrophobicContact CE2-CG 4.3Å; F69-L545 HydrophobicContact CG-CD1 4.38Å; F69-L545 HydrophobicContact CZ-CD1 3.97Å; F69-L545 HydrophobicContact CZ-CD2 3.57Å; F69-L545 HydrophobicContact CZ-CG 3.91Å; I542-L545 HydrophobicContact CB-CD1 4.24Å; I542-L545 HydrophobicContact CG2-CD1 4.46Å; I542-L545 WeakPolarHBondContact O-CB 3.43Å; I542-L545 WeakPolarHBondContact O-CG 3.47Å; I542-L545 PolarHBondContact O-N 3.21Å; M543-L545 PolarHBondContact O-N 3.1Å; M543-L545 VanDerWaalsContact O-N 3.09Å; L545-F547 PolarHBondContact O-N 3.4Å; L545-V548 PolarHBondContact O-N 3.1Å; L545-T553 HydrophobicContact CD2-CG2 4.19Å; L545-L556 HydrophobicContact CD1-CD2 3.77Å; L545-L556 HydrophobicContact CD1-CG 4.11Å; L545-F557 HydrophobicContact CB-CB 4.24Å
546V88.8Confident89.4Confident47 Ų4732.5 Ų32.529%0.28517%0.172SC..G310 helixtrans-62.7-29.1175179.40000111.8M543 P544 V548 Y554 F557M543-V546 WeakPolarHBondContact O-CB 3.49Å; M543-V546 WeakPolarHBondContact O-CG2 2.97Å; M543-V546 PolarHBondContact O-N 2.95Å; M543-V546 VanDerWaalsContact O-N 3.17Å; P544-V546 PolarHBondContact O-N 2.86Å; V546-V548 VanDerWaalsContact C-N 3.35Å; V546-Y554 WeakPolarHBondContact O-CE1 3.46Å; V546-Y554 PolarHBondContact O-OH 2.91Å; V546-F557 HydrophobicContact CG2-CD1 3.55Å; V546-F557 HydrophobicContact CG2-CD2 3.63Å; V546-F557 HydrophobicContact CG2-CE1 3.4Å; V546-F557 HydrophobicContact CG2-CE2 3.49Å; V546-F557 VanDerWaalsContact CG2-CE2 3.49Å; V546-F557 HydrophobicContact CG2-CG 3.65Å; V546-F557 HydrophobicContact CG2-CZ 3.36Å
547F87.2Confident89.4Confident150 Ų15030.7 Ų30.766%0.65816%0.157SC*.G310 helixtrans-88.5-5.7-178-56.7-67.8000113E6 P544 L545 P549E6-F547 HydrophobicContact CG-CB 4.48Å; P544-F547 PolarHBondContact O-N 3.45Å; P544-F547 VanDerWaalsContact O-N 3.11Å; L545-F547 PolarHBondContact O-N 3.4Å; F547-P549 WeakPolarHBondContact O-CD 3.17Å
548V84.8Confident89.4Confident14 Ų1433.1 Ų33.19%0.08517%0.167CC..SBendtrans-84.1118.9175.6-176.70000109.3E6 L545 V546 S550 T553E6-V548 HydrophobicContact CB-CG2 3.93Å; E6-V548 HydrophobicContact CG-CG2 3.79Å; L545-V548 PolarHBondContact O-N 3.1Å; V546-V548 VanDerWaalsContact C-N 3.35Å; V548-S550 PolarHBondContact O-N 3.04Å; V548-T553 HydrophobicContact CB-CG2 4.05Å; V548-T553 HydrophobicContact CG1-CG2 3.85Å; V548-T553 PolarHBondContact O-OG1 2.83Å; V548-T553 VanDerWaalsContact O-OG1 3.09Å
549P83.1Confident89.3Confident36 Ų3633 Ų3323%0.23417%0.167CC..  trans-77.967.6-176.132.8-36.5000111.5S267 F547S267-P549 PolarHBondContact N-O 3.22Å; S267-P549 PolarHBondContact OG-O 3.19Å; F547-P549 WeakPolarHBondContact O-CD 3.17Å
550S83.3Confident89.3Confident24 Ų2431.5 Ų31.517%0.16816%0.158CC..BIsolated β-bridgetrans-143.8129.1179.61790000110.4V548 L552 T553 Y554V548-S550 PolarHBondContact O-N 3.04Å; S550-L552 PolarHBondContact O-N 3.18Å; S550-L552 WeakPolarHBondContact OG-CB 3.33Å; S550-L552 PolarHBondContact OG-N 2.67Å; S550-T553 WeakPolarHBondContact CB-OG1 3.35Å; S550-T553 PolarHBondContact O-N 3.36Å; S550-T553 VanDerWaalsContact O-N 3.1Å; S550-T553 PolarHBondContact O-OG1 3.23Å; S550-Y554 WeakPolarHBondContact O-CD2 3.46Å; S550-Y554 PolarHBondContact O-N 3.5Å; S550-Y554 VanDerWaalsContact O-N 3.08Å
551N83.1Confident89.5Confident50 Ų5030.8 Ų30.827%0.26715%0.154SC..Hα-helixtrans-58.2-33.4175.7-73.45.1000111.1N263 T553 Y554 T555N263-N551 HydrophobicContact CB-CB 4.44Å; N263-N551 WeakPolarHBondContact O-CB 3.36Å; N263-N551 PolarHBondContact OD1-ND2 2.93Å; N551-T553 PolarHBondContact O-N 3.03Å; N551-Y554 PolarHBondContact O-N 2.97Å; N551-T555 PolarHBondContact O-N 3.08Å; N551-T555 PolarHBondContact O-OG1 3.18Å; N551-T555 VanDerWaalsContact O-OG1 3.07Å
552L82.9Confident89.7Confident19 Ų1931.7 Ų31.710%0.09916%0.159CC..Hα-helixtrans-58.5-45.2176.3-163.570.6000112.6I485 S550 L556I485-L552 HydrophobicContact CB-CD1 4.34Å; I485-L552 HydrophobicContact CD1-CB 4.47Å; I485-L552 HydrophobicContact CD1-CD1 3.08Å; I485-L552 HydrophobicContact CD1-CD2 3.97Å; I485-L552 HydrophobicContact CD1-CG 3.23Å; I485-L552 HydrophobicContact CG1-CD1 3.43Å; I485-L552 VanDerWaalsContact CG1-CD1 3.43Å; I485-L552 HydrophobicContact CG1-CG 4.16Å; S550-L552 PolarHBondContact O-N 3.18Å; S550-L552 WeakPolarHBondContact OG-CB 3.33Å; S550-L552 PolarHBondContact OG-N 2.67Å; L552-L556 WeakPolarHBondContact O-CB 3.29Å; L552-L556 PolarHBondContact O-N 2.87Å; L552-L556 VanDerWaalsContact O-N 3.09Å
553T87.8Confident89.9Confident1 Ų131.7 Ų31.71%0.00616%0.158CC..Hα-helixtrans-74.6-33.1178.848.10000111.9L65 L545 V548 S550 N551 L556 F557L65-T553 HydrophobicContact CD2-CG2 3.43Å; L65-T553 VanDerWaalsContact CD2-CG2 3.43Å; L545-T553 HydrophobicContact CD2-CG2 4.19Å; V548-T553 HydrophobicContact CB-CG2 4.05Å; V548-T553 HydrophobicContact CG1-CG2 3.85Å; V548-T553 PolarHBondContact O-OG1 2.83Å; V548-T553 VanDerWaalsContact O-OG1 3.09Å; S550-T553 WeakPolarHBondContact CB-OG1 3.35Å; S550-T553 PolarHBondContact O-N 3.36Å; S550-T553 VanDerWaalsContact O-N 3.1Å; S550-T553 PolarHBondContact O-OG1 3.23Å; N551-T553 PolarHBondContact O-N 3.03Å; T553-L556 PolarHBondContact O-N 2.85Å; T553-F557 WeakPolarHBondContact O-CB 3.2Å; T553-F557 PolarHBondContact O-N 3.37Å
554Y89.1Confident90.1Very high78 Ų7828.1 Ų28.131%0.30614%0.141SC..Hα-helixtrans-64.7-44.5172.6-70.2-55.4000112.5V546 S550 N551 F557 K558V546-Y554 WeakPolarHBondContact O-CE1 3.46Å; V546-Y554 PolarHBondContact O-OH 2.91Å; S550-Y554 WeakPolarHBondContact O-CD2 3.46Å; S550-Y554 PolarHBondContact O-N 3.5Å; S550-Y554 VanDerWaalsContact O-N 3.08Å; N551-Y554 PolarHBondContact O-N 2.97Å; Y554-F557 PolarHBondContact O-N 3.37Å; Y554-K558 WeakPolarHBondContact O-CB 3.43Å; Y554-K558 WeakPolarHBondContact O-CG 3.41Å; Y554-K558 PolarHBondContact O-N 2.79Å
555T89.5Confident90.5Very high16 Ų1629.7 Ų29.710%0.09816%0.159CC..Hα-helixtrans-58.9-50.7173.8-58.40000109.8V480 D483 I485 N551 F557 K558 C559V480-T555 HydrophobicContact CG1-CG2 3.66Å; D483-T555 PolarHBondContact OD2-OG1 2.79Å; I485-T555 HydrophobicContact CB-CG2 4.28Å; I485-T555 HydrophobicContact CG2-CG2 3.99Å; N551-T555 PolarHBondContact O-N 3.08Å; N551-T555 PolarHBondContact O-OG1 3.18Å; N551-T555 VanDerWaalsContact O-OG1 3.07Å; T555-F557 PolarHBondContact O-N 2.88Å; T555-K558 PolarHBondContact O-N 2.65Å; T555-C559 VanDerWaalsContact O-CB 3.3Å; T555-C559 WeakPolarHBondContact O-CB 3.48Å; T555-C559 PolarHBondContact O-N 2.87Å; T555-C559 PolarHBondContact O-SG 2.99Å; T555-C559 VanDerWaalsContact O-SG 3.37Å
556L91.4Very high91Very high2 Ų229.7 Ų29.71%0.0116%0.159CC..Hα-helixtrans-55.9-50178.4-179.361.3000111.8F69 F70 I485 L545 L552 T553 S560F69-L556 HydrophobicContact CD2-CD2 4.2Å; F70-L556 HydrophobicContact CE1-CD1 3.56Å; F70-L556 HydrophobicContact CZ-CD1 3.57Å; I485-L556 HydrophobicContact CG2-CB 4Å; I485-L556 HydrophobicContact CG2-CD1 4.28Å; L545-L556 HydrophobicContact CD1-CD2 3.77Å; L545-L556 HydrophobicContact CD1-CG 4.11Å; L552-L556 WeakPolarHBondContact O-CB 3.29Å; L552-L556 PolarHBondContact O-N 2.87Å; L552-L556 VanDerWaalsContact O-N 3.09Å; T553-L556 PolarHBondContact O-N 2.85Å; L556-S560 VanDerWaalsContact O-CB 3.22Å; L556-S560 WeakPolarHBondContact O-CB 3.44Å; L556-S560 PolarHBondContact O-N 3.16Å; L556-S560 PolarHBondContact O-OG 3.04Å; L556-S560 VanDerWaalsContact O-OG 3.08Å
557F93.9Very high91.4Very high23 Ų2327.5 Ų27.510%0.10115%0.146CC..Hα-helixtrans-59.9-52.8178.7170.6-100.8000112.3I542 M543 L545 V546 T553 Y554 T555 C559 S560 L561I542-F557 HydrophobicContact CB-CD2 4.39Å; I542-F557 HydrophobicContact CD1-CD2 4.24Å; I542-F557 HydrophobicContact CG1-CD2 4.14Å; I542-F557 HydrophobicContact CG1-CE2 4.38Å; I542-F557 WeakPolarHBondContact O-CD2 3.43Å; M543-F557 HydrophobicContact CE-CE2 4.17Å; M543-F557 HydrophobicContact CE-CZ 4.26Å; M543-F557 HydrophobicContact SD-CE2 3.79Å; M543-F557 HydrophobicContact SD-CZ 4.02Å; L545-F557 HydrophobicContact CB-CB 4.24Å; V546-F557 HydrophobicContact CG2-CD1 3.55Å; V546-F557 HydrophobicContact CG2-CD2 3.63Å; V546-F557 HydrophobicContact CG2-CE1 3.4Å; V546-F557 HydrophobicContact CG2-CE2 3.49Å; V546-F557 VanDerWaalsContact CG2-CE2 3.49Å; V546-F557 HydrophobicContact CG2-CG 3.65Å; V546-F557 HydrophobicContact CG2-CZ 3.36Å; T553-F557 WeakPolarHBondContact O-CB 3.2Å; T553-F557 PolarHBondContact O-N 3.37Å; Y554-F557 PolarHBondContact O-N 3.37Å; T555-F557 PolarHBondContact O-N 2.88Å; F557-C559 PolarHBondContact O-N 3.36Å; F557-S560 PolarHBondContact O-N 3.11Å; F557-L561 HydrophobicContact CE1-CD2 4.08Å; F557-L561 HydrophobicContact CZ-CD2 3.85Å; F557-L561 VanDerWaalsContact O-CB 3.25Å; F557-L561 WeakPolarHBondContact O-CB 3.49Å; F557-L561 PolarHBondContact O-N 3.5Å
558K94.6Very high91.8Very high53 Ų5322.5 Ų22.523%0.2313%0.125CC..Hα-helixtrans-61.3-47.8-177.7-74.9-179.8175-172.70111.5W478 V480 Y554 T555 L561 L562W478-K558 HydrophobicContact CD2-CD 4.34Å; W478-K558 HydrophobicContact CD2-CG 4.4Å; W478-K558 HydrophobicContact CG-CD 4.32Å; W478-K558 PolarHBondContact O-NZ 2.65Å; V480-K558 HydrophobicContact CG2-CB 4.02Å; V480-K558 HydrophobicContact CG2-CD 3.44Å; V480-K558 VanDerWaalsContact CG2-CD 3.44Å; V480-K558 HydrophobicContact CG2-CG 4.42Å; Y554-K558 WeakPolarHBondContact O-CB 3.43Å; Y554-K558 WeakPolarHBondContact O-CG 3.41Å; Y554-K558 PolarHBondContact O-N 2.79Å; T555-K558 PolarHBondContact O-N 2.65Å; K558-L561 PolarHBondContact O-N 2.77Å; K558-L562 WeakPolarHBondContact O-CG 3.21Å; K558-L562 PolarHBondContact O-N 2.92Å
559C94Very high92.4Very high1 Ų124 Ų241%0.00713%0.133CC..Hα-helixtrans-63.7-47.3179.6-70.50000111C489 T555 F557 L561 L562 T563C489-C559 HydrophobicContact CB-CB 3.48Å; C489-C559 VanDerWaalsContact CB-CB 3.48Å; C489-C559 VanDerWaalsContact SG-CB 3.52Å; T555-C559 VanDerWaalsContact O-CB 3.3Å; T555-C559 WeakPolarHBondContact O-CB 3.48Å; T555-C559 PolarHBondContact O-N 2.87Å; T555-C559 PolarHBondContact O-SG 2.99Å; T555-C559 VanDerWaalsContact O-SG 3.37Å; F557-C559 PolarHBondContact O-N 3.36Å; C559-L561 VanDerWaalsContact C-N 3.34Å; C559-L561 PolarHBondContact O-N 2.86Å; C559-L562 PolarHBondContact O-N 2.83Å; C559-T563 PolarHBondContact O-N 2.97Å; C559-T563 PolarHBondContact O-OG1 2.82Å
560S95Very high93Very high0 Ų022.3 Ų22.30%012%0.122CC..Hα-helixtrans-65-34.4178-680000113.6L556 F557 T563 A564L556-S560 VanDerWaalsContact O-CB 3.22Å; L556-S560 WeakPolarHBondContact O-CB 3.44Å; L556-S560 PolarHBondContact O-N 3.16Å; L556-S560 PolarHBondContact O-OG 3.04Å; L556-S560 VanDerWaalsContact O-OG 3.08Å; F557-S560 PolarHBondContact O-N 3.11Å; S560-T563 WeakPolarHBondContact O-CB 3.28Å; S560-T563 PolarHBondContact O-N 2.83Å; S560-A564 WeakPolarHBondContact O-CB 3.13Å; S560-A564 PolarHBondContact O-N 3.25Å
561L96.8Very high93.5Very high44 Ų4421.2 Ų21.223%0.2311%0.114CC..Hα-helixtrans-66.7-42174.1-179.464000111.2W478 V539 I542 F557 K558 C559 A564 G565W478-L561 HydrophobicContact CH2-CD2 3.83Å; W478-L561 HydrophobicContact CZ3-CD2 4.29Å; V539-L561 HydrophobicContact CG1-CD1 4.18Å; V539-L561 HydrophobicContact CG2-CD1 4.46Å; I542-L561 HydrophobicContact CD1-CB 4.39Å; F557-L561 HydrophobicContact CE1-CD2 4.08Å; F557-L561 HydrophobicContact CZ-CD2 3.85Å; F557-L561 VanDerWaalsContact O-CB 3.25Å; F557-L561 WeakPolarHBondContact O-CB 3.49Å; F557-L561 PolarHBondContact O-N 3.5Å; K558-L561 PolarHBondContact O-N 2.77Å; C559-L561 VanDerWaalsContact C-N 3.34Å; C559-L561 PolarHBondContact O-N 2.86Å; L561-A564 PolarHBondContact O-N 3.14Å; L561-G565 PolarHBondContact O-N 2.95Å
562L97Very high94.1Very high20 Ų2019.4 Ų19.411%0.10510%0.104CC..Hα-helixtrans-63-43.6172.5-74.1173.5000111.5V471 L474 M475 W478 K558 C559 A564 G565 C566V471-L562 HydrophobicContact CG1-CB 4.26Å; V471-L562 HydrophobicContact CG2-CB 4.4Å; L474-L562 HydrophobicContact CB-CD1 4.16Å; L474-L562 HydrophobicContact CB-CD2 3.82Å; L474-L562 HydrophobicContact CD1-CD2 4.28Å; M475-L562 VanDerWaalsContact CA-CD1 3.48Å; M475-L562 HydrophobicContact CB-CD1 3.63Å; W478-L562 HydrophobicContact CE3-CD1 3.95Å; W478-L562 HydrophobicContact CE3-CD2 3.9Å; W478-L562 HydrophobicContact CE3-CG 3.84Å; W478-L562 HydrophobicContact CZ3-CD2 3.94Å; W478-L562 HydrophobicContact CZ3-CG 3.94Å; K558-L562 WeakPolarHBondContact O-CG 3.21Å; K558-L562 PolarHBondContact O-N 2.92Å; C559-L562 PolarHBondContact O-N 2.83Å; L562-A564 PolarHBondContact O-N 3.13Å; L562-G565 PolarHBondContact O-N 2.79Å; L562-C566 VanDerWaalsContact O-CB 3.24Å; L562-C566 WeakPolarHBondContact O-CB 3.39Å; L562-C566 PolarHBondContact O-N 2.81Å; L562-C566 PolarHBondContact O-SG 2.98Å
563T96.2Very high94.7Very high0 Ų019.7 Ų19.70%011%0.106CC..Hα-helixtrans-53.9-52.3173.7-56.30000111.2Y492 T493 F496 C559 S560 T567Y492-T563 HydrophobicContact CD1-CG2 4.37Å; T493-T563 HydrophobicContact CG2-CG2 4.07Å; T493-T563 WeakPolarHBondContact OG1-CG2 3.2Å; T493-T563 PolarHBondContact OG1-OG1 3.13Å; F496-T563 HydrophobicContact CB-CG2 3.94Å; F496-T563 HydrophobicContact CD1-CG2 3.66Å; F496-T563 HydrophobicContact CE1-CG2 4.46Å; F496-T563 HydrophobicContact CG-CG2 3.96Å; C559-T563 PolarHBondContact O-N 2.97Å; C559-T563 PolarHBondContact O-OG1 2.82Å; S560-T563 WeakPolarHBondContact O-CB 3.28Å; S560-T563 PolarHBondContact O-N 2.83Å; T563-T567 VanDerWaalsContact O-CB 3.27Å; T563-T567 WeakPolarHBondContact O-CB 3.38Å; T563-T567 PolarHBondContact O-N 2.7Å; T563-T567 PolarHBondContact O-OG1 2.99Å
564A97Very high95Very high1 Ų120 Ų201%0.00811%0.108CC..Hα-helixtrans-61.4-46.7179.300000112.2T535 F538 V539 S560 L561 L562 L568T535-A564 HydrophobicContact CG2-CB 3.69Å; F538-A564 HydrophobicContact CD1-CB 4.14Å; F538-A564 HydrophobicContact CE1-CB 4.36Å; V539-A564 HydrophobicContact CG2-CB 3.63Å; S560-A564 WeakPolarHBondContact O-CB 3.13Å; S560-A564 PolarHBondContact O-N 3.25Å; L561-A564 PolarHBondContact O-N 3.14Å; L562-A564 PolarHBondContact O-N 3.13Å; A564-L568 WeakPolarHBondContact O-CB 3.23Å; A564-L568 WeakPolarHBondContact O-CG 3.39Å; A564-L568 PolarHBondContact O-N 2.52Å
565G97.4Very high95.1Very high39 Ų3916.5 Ų16.540%0.4029%0.094SC..Hα-helixtrans-66.7-49.5-178.200000113.2L561 L562 T567 L568 L569L561-G565 PolarHBondContact O-N 2.95Å; L562-G565 PolarHBondContact O-N 2.79Å; G565-T567 PolarHBondContact O-N 2.82Å; G565-L568 PolarHBondContact O-N 2.85Å; G565-L569 WeakPolarHBondContact O-CB 3.48Å; G565-L569 PolarHBondContact O-N 3.28Å
566C97.6Very high95.2Very high6 Ų616 Ų164%0.0419%0.092CC..Hα-helixtrans-63.3-41178.8-68.30000111.5V467 V471 L562 L569 H570V467-C566 HydrophobicContact CG1-CB 4.07Å; V471-C566 HydrophobicContact CG2-CB 3.89Å; L562-C566 VanDerWaalsContact O-CB 3.24Å; L562-C566 WeakPolarHBondContact O-CB 3.39Å; L562-C566 PolarHBondContact O-N 2.81Å; L562-C566 PolarHBondContact O-SG 2.98Å; C566-L569 PolarHBondContact O-N 3.33Å; C566-H570 PolarHBondContact O-N 2.81Å; C566-H570 PolarHBondContact O-ND1 2.85Å
567T96.8Very high95.2Very high0 Ų016 Ų160%09%0.092CC..Hα-helixtrans-64.7-46.7175.7-64.30000111.5F496 H500 T563 G565 L569 H570 C571F496-T567 HydrophobicContact CD1-CG2 4.09Å; F496-T567 HydrophobicContact CE1-CG2 4.16Å; H500-T567 HydrophobicContact CB-CG2 3.74Å; T563-T567 VanDerWaalsContact O-CB 3.27Å; T563-T567 WeakPolarHBondContact O-CB 3.38Å; T563-T567 PolarHBondContact O-N 2.7Å; T563-T567 PolarHBondContact O-OG1 2.99Å; G565-T567 PolarHBondContact O-N 2.82Å; T567-L569 VanDerWaalsContact C-N 3.34Å; T567-L569 PolarHBondContact O-N 2.83Å; T567-H570 PolarHBondContact O-N 3.02Å; T567-H570 VanDerWaalsContact O-N 3.14Å; T567-C571 WeakPolarHBondContact O-CB 3.03Å; T567-C571 PolarHBondContact O-N 3.49Å; T567-C571 PolarHBondContact O-SG 3.33Å
568L96.8Very high94.9Very high45 Ų4517 Ų1724%0.23610%0.096CC..Hα-helixtrans-61.4-41.6176.7-77.2176.8000112.5I531 L532 T535 A564 G565 H570 C571 F572I531-L568 HydrophobicContact CG2-CD2 4.15Å; L532-L568 HydrophobicContact CD2-CD2 4.15Å; T535-L568 HydrophobicContact CG2-CD1 3.49Å; T535-L568 VanDerWaalsContact CG2-CD1 3.49Å; T535-L568 HydrophobicContact CG2-CD2 4.24Å; T535-L568 HydrophobicContact CG2-CG 3.76Å; A564-L568 WeakPolarHBondContact O-CB 3.23Å; A564-L568 WeakPolarHBondContact O-CG 3.39Å; A564-L568 PolarHBondContact O-N 2.52Å; G565-L568 PolarHBondContact O-N 2.85Å; L568-H570 VanDerWaalsContact C-N 3.26Å; L568-H570 PolarHBondContact O-N 3.5Å; L568-C571 PolarHBondContact O-N 3.34Å; L568-F572 HydrophobicContact CD2-CD2 3.78Å; L568-F572 HydrophobicContact CD2-CE2 3.63Å; L568-F572 WeakPolarHBondContact O-CB 3.31Å; L568-F572 PolarHBondContact O-N 3.48Å
569L96.9Very high94.4Very high45 Ų4514.8 Ų14.824%0.2369%0.086CC..Iπ-helixtrans-57.9-42.2175.3-177.568.7000110.9L240 Y244 G565 C566 T567 V573 I574L240-L569 HydrophobicContact CD2-CD1 4.03Å; Y244-L569 HydrophobicContact CD2-CD2 3.95Å; Y244-L569 HydrophobicContact CE2-CD2 4.37Å; Y244-L569 HydrophobicContact CG-CD2 4.41Å; G565-L569 WeakPolarHBondContact O-CB 3.48Å; G565-L569 PolarHBondContact O-N 3.28Å; C566-L569 PolarHBondContact O-N 3.33Å; T567-L569 VanDerWaalsContact C-N 3.34Å; T567-L569 PolarHBondContact O-N 2.83Å; L569-V573 HydrophobicContact CD1-CB 4.16Å; L569-V573 HydrophobicContact CD1-CG2 4.17Å; L569-V573 WeakPolarHBondContact O-CA 3.39Å; L569-V573 VanDerWaalsContact O-CB 3.25Å; L569-V573 WeakPolarHBondContact O-CB 3.34Å; L569-V573 PolarHBondContact O-N 2.84Å; L569-V573 VanDerWaalsContact O-N 3.09Å; L569-I574 HydrophobicContact CD2-CD1 4.01Å; L569-I574 HydrophobicContact CG-CD1 3.78Å; L569-I574 HydrophobicContact CG-CG1 4.36Å; L569-I574 PolarHBondContact O-N 3.4Å
570H95.9Very high93.9Very high2 Ų215 Ų151%0.0099%0.088CC..Iπ-helixtrans-70.1-50.2176.9-76.773.5000112.5Y244 T463 S466 V467 C566 T567 L568 F572 I574 L575Y244-H570 AromaticContact CE1-CE1 3.49Å; Y244-H570 VanDerWaalsContact CE1-CE1 3.49Å; Y244-H570 WeakPolarHBondContact CE1-CE1 3.22Å; Y244-H570 AromaticContact CE1-NE2 3.91Å; Y244-H570 AromaticContact CZ-CE1 3.47Å; Y244-H570 VanDerWaalsContact CZ-CE1 3.47Å; Y244-H570 PolarHBondContact OH-CE1 3.41Å; Y244-H570 VanDerWaalsContact OH-CE1 3.31Å; T463-H570 HydrophobicContact CG2-CB 4.04Å; S466-H570 PolarHBondContact OG-NE2 2.96Å; V467-H570 HydrophobicContact CG2-CB 3.77Å; V467-H570 WeakPolarHBondContact CG2-ND1 3.35Å; C566-H570 PolarHBondContact O-N 2.81Å; C566-H570 PolarHBondContact O-ND1 2.85Å; T567-H570 PolarHBondContact O-N 3.02Å; T567-H570 VanDerWaalsContact O-N 3.14Å; L568-H570 VanDerWaalsContact C-N 3.26Å; L568-H570 PolarHBondContact O-N 3.5Å; H570-F572 PolarHBondContact O-N 2.91Å; H570-I574 VanDerWaalsContact CE1-CD1 3.48Å; H570-I574 WeakPolarHBondContact CE1-CD1 3.29Å; H570-L575 WeakPolarHBondContact O-CB 3.37Å; H570-L575 PolarHBondContact O-N 2.96Å
571C94.5Very high93.1Very high0 Ų020.4 Ų20.40%011%0.112CC..Iπ-helixtrans-61.9-43.6-176-67.40000113.1H500 C501 T567 L568 P576H500-C571 WeakPolarHBondContact CB-SG 3.49Å; C501-C571 PolarHBondContact SG-SG 2.93Å; T567-C571 WeakPolarHBondContact O-CB 3.03Å; T567-C571 PolarHBondContact O-N 3.49Å; T567-C571 PolarHBondContact O-SG 3.33Å; L568-C571 PolarHBondContact O-N 3.34Å; C571-P576 VanDerWaalsContact O-CD 3.27Å; C571-P576 WeakPolarHBondContact O-CD 3.15Å; C571-P576 VanDerWaalsContact O-CG 3.23Å; C571-P576 WeakPolarHBondContact O-CG 3.34Å
572F94.8Very high91.8Very high12 Ų1221.9 Ų21.95%0.05312%0.116CC..Iπ-helixtrans-98.5-28.3-170.9-75.6-86.6000113.5L220 Y224 L524 G528 I531 L532 L568 H570 P576L220-F572 HydrophobicContact CD2-CD1 4.37Å; L220-F572 HydrophobicContact CD2-CE1 3.88Å; Y224-F572 HydrophobicContact CE1-CB 4.26Å; Y224-F572 AromaticContact CE1-CD1 3.87Å; Y224-F572 HydrophobicContact CE1-CD1 3.87Å; Y224-F572 WeakPolarHBondContact OH-CB 2.96Å; Y224-F572 PolarHBondContact OH-O 3.27Å; L524-F572 HydrophobicContact CD2-CD1 4.44Å; G528-F572 WeakPolarHBondContact O-CZ 3.43Å; I531-F572 HydrophobicContact CB-CE2 4.26Å; I531-F572 HydrophobicContact CB-CZ 4.28Å; I531-F572 HydrophobicContact CG2-CE2 3.72Å; I531-F572 HydrophobicContact CG2-CZ 4.24Å; L532-F572 HydrophobicContact CD1-CE1 4.36Å; L532-F572 HydrophobicContact CD1-CZ 4.28Å; L532-F572 HydrophobicContact CD2-CE2 3.99Å; L532-F572 HydrophobicContact CD2-CZ 3.97Å; L532-F572 HydrophobicContact CG-CE1 4.23Å; L532-F572 HydrophobicContact CG-CE2 4.16Å; L532-F572 HydrophobicContact CG-CZ 3.67Å; L568-F572 HydrophobicContact CD2-CD2 3.78Å; L568-F572 HydrophobicContact CD2-CE2 3.63Å; L568-F572 WeakPolarHBondContact O-CB 3.31Å; L568-F572 PolarHBondContact O-N 3.48Å; H570-F572 PolarHBondContact O-N 2.91Å; F572-P576 WeakPolarHBondContact O-CG 3.28Å
573V95.4Very high89.8Confident25 Ų2525.8 Ų25.815%0.15214%0.143CC..Iπ-helixtrans-110.7-60.8-173-1710000111.8I228 V237 L240 L569I228-V573 HydrophobicContact CD1-CG1 4.32Å; V237-V573 HydrophobicContact CB-CG1 4.41Å; V237-V573 HydrophobicContact CG1-CG1 3.9Å; V237-V573 HydrophobicContact CG2-CG1 3.72Å; L240-V573 HydrophobicContact CD2-CG1 4.22Å; L569-V573 HydrophobicContact CD1-CB 4.16Å; L569-V573 HydrophobicContact CD1-CG2 4.17Å; L569-V573 WeakPolarHBondContact O-CA 3.39Å; L569-V573 VanDerWaalsContact O-CB 3.25Å; L569-V573 WeakPolarHBondContact O-CB 3.34Å; L569-V573 PolarHBondContact O-N 2.84Å; L569-V573 VanDerWaalsContact O-N 3.09Å
574I94.8Very high87.8Confident8 Ų829.8 Ų29.84%0.04117%0.169CC..Iπ-helixtrans-72.9-58.7-170.7-60.1159.8000110.6Y241 L569 H570 V577 F578Y241-I574 HydrophobicContact CD2-CB 4.46Å; Y241-I574 HydrophobicContact CD2-CD1 3.7Å; Y241-I574 HydrophobicContact CD2-CG1 4Å; Y241-I574 HydrophobicContact CD2-CG2 3.6Å; Y241-I574 HydrophobicContact CE2-CD1 4.29Å; Y241-I574 HydrophobicContact CE2-CG2 3.95Å; Y241-I574 HydrophobicContact CG-CG2 4.29Å; L569-I574 HydrophobicContact CD2-CD1 4.01Å; L569-I574 HydrophobicContact CG-CD1 3.78Å; L569-I574 HydrophobicContact CG-CG1 4.36Å; L569-I574 PolarHBondContact O-N 3.4Å; H570-I574 VanDerWaalsContact CE1-CD1 3.48Å; H570-I574 WeakPolarHBondContact CE1-CD1 3.29Å; I574-V577 PolarHBondContact O-N 3.44Å; I574-F578 HydrophobicContact CG2-CD2 3.53Å; I574-F578 HydrophobicContact CG2-CE2 3.63Å; I574-F578 HydrophobicContact CG2-CG 4.37Å; I574-F578 VanDerWaalsContact O-CD2 3.24Å; I574-F578 WeakPolarHBondContact O-CD2 3.41Å; I574-F578 PolarHBondContact O-N 2.93Å
575L91.4Very high85.5Confident4 Ų434 Ų342%0.02120%0.199CC..Hα-helixtrans-56.6-46.4-174-17765.6000112.4T463 C501 H504 H570 V577 F578 L579T463-L575 HydrophobicContact CG2-CD1 4.43Å; C501-L575 HydrophobicContact CB-CD2 4.36Å; H504-L575 HydrophobicContact CB-CD2 4.22Å; H570-L575 WeakPolarHBondContact O-CB 3.37Å; H570-L575 PolarHBondContact O-N 2.96Å; L575-V577 PolarHBondContact O-N 3.03Å; L575-F578 PolarHBondContact O-N 3.42Å; L575-L579 HydrophobicContact CD1-CD1 3.96Å; L575-L579 HydrophobicContact CD1-CD2 4.34Å; L575-L579 HydrophobicContact CD1-CG 3.97Å; L575-L579 HydrophobicContact CG-CD1 3.86Å; L575-L579 HydrophobicContact CG-CG 4.28Å; L575-L579 WeakPolarHBondContact O-CB 3.36Å; L575-L579 VanDerWaalsContact O-CG 3.22Å; L575-L579 WeakPolarHBondContact O-CG 3.4Å; L575-L579 PolarHBondContact O-N 3.48Å
576P91.1Very high83.2Confident7 Ų740.4 Ų40.45%0.04522%0.215CC..Hα-helixtrans-58.2-44.4178.6-30.142000112.8I228 I520 L524 C571 F572 T580I228-P576 HydrophobicContact CG1-CB 4.4Å; I520-P576 WeakPolarHBondContact CD1-O 3.41Å; I520-P576 HydrophobicContact CG2-CB 3.72Å; L524-P576 HydrophobicContact CD1-CB 4.35Å; L524-P576 HydrophobicContact CD1-CG 3.82Å; C571-P576 VanDerWaalsContact O-CD 3.27Å; C571-P576 WeakPolarHBondContact O-CD 3.15Å; C571-P576 VanDerWaalsContact O-CG 3.23Å; C571-P576 WeakPolarHBondContact O-CG 3.34Å; F572-P576 WeakPolarHBondContact O-CG 3.28Å; P576-T580 WeakPolarHBondContact O-CG2 3.36Å; P576-T580 PolarHBondContact O-N 2.93Å
577V90.9Very high80.8Confident1 Ų149.1 Ų49.11%0.00625%0.252CS..Hα-helixtrans-68.9-45.3179.81720000111.4I228 K234 V237 I574 L575 L579 T580 F581I228-V577 HydrophobicContact CD1-CG2 4.03Å; I228-V577 HydrophobicContact CG1-CG2 4.26Å; K234-V577 HydrophobicContact CB-CG1 4.02Å; K234-V577 HydrophobicContact CG-CG1 4.09Å; V237-V577 HydrophobicContact CB-CB 4.27Å; V237-V577 HydrophobicContact CB-CG1 4.17Å; V237-V577 HydrophobicContact CB-CG2 3.94Å; V237-V577 HydrophobicContact CG1-CB 3.76Å; V237-V577 HydrophobicContact CG1-CG1 4.01Å; V237-V577 HydrophobicContact CG1-CG2 3.76Å; V237-V577 HydrophobicContact CG2-CG2 3.94Å; I574-V577 PolarHBondContact O-N 3.44Å; L575-V577 PolarHBondContact O-N 3.03Å; V577-L579 VanDerWaalsContact C-N 3.3Å; V577-L579 PolarHBondContact O-N 3.48Å; V577-T580 WeakPolarHBondContact O-CB 3.37Å; V577-T580 PolarHBondContact O-N 3.19Å; V577-T580 PolarHBondContact O-OG1 2.97Å; V577-F581 HydrophobicContact CG1-CE2 3.92Å; V577-F581 HydrophobicContact CG1-CZ 4.47Å; V577-F581 WeakPolarHBondContact O-CD2 3.38Å
578F88.3Confident78.5Confident44 Ų4457.2 Ų57.219%0.19328%0.283CS..Hα-helixtrans-62-37.9-179.6-86.6-102.8000112.1Y241 W459 I574 L575 T580 F581Y241-F578 HydrophobicContact CD1-CE1 4.43Å; Y241-F578 HydrophobicContact CD1-CE2 4.13Å; Y241-F578 AromaticContact CD1-CZ 3.52Å; Y241-F578 HydrophobicContact CD1-CZ 3.52Å; Y241-F578 HydrophobicContact CD2-CE2 4.44Å; Y241-F578 AromaticContact CE1-CZ 3.98Å; Y241-F578 HydrophobicContact CE1-CZ 3.98Å; Y241-F578 AromaticContact CG-CE2 3.93Å; Y241-F578 HydrophobicContact CG-CE2 3.93Å; Y241-F578 AromaticContact CG-CZ 3.81Å; Y241-F578 HydrophobicContact CG-CZ 3.81Å; W459-F578 HydrophobicContact CZ3-CD1 4.4Å; I574-F578 HydrophobicContact CG2-CD2 3.53Å; I574-F578 HydrophobicContact CG2-CE2 3.63Å; I574-F578 HydrophobicContact CG2-CG 4.37Å; I574-F578 VanDerWaalsContact O-CD2 3.24Å; I574-F578 WeakPolarHBondContact O-CD2 3.41Å; I574-F578 PolarHBondContact O-N 2.93Å; L575-F578 PolarHBondContact O-N 3.42Å; F578-T580 PolarHBondContact O-N 3.12Å; F578-F581 PolarHBondContact O-N 3.4Å
579L85Confident76Confident6 Ų659.9 Ų59.93%0.03129%0.294CS..Hα-helixtrans-65.2-24.1174.7-68.2175.9000113.3L505 F508 I520 L575 V577 F581 F582L505-L579 HydrophobicContact CD1-CD1 3.9Å; L505-L579 HydrophobicContact CD1-CD2 3.48Å; L505-L579 VanDerWaalsContact CD1-CD2 3.48Å; L505-L579 HydrophobicContact CD1-CG 4.31Å; F508-L579 HydrophobicContact CB-CD1 4.27Å; F508-L579 HydrophobicContact CD1-CD1 4.12Å; F508-L579 HydrophobicContact CD1-CD2 4.03Å; F508-L579 HydrophobicContact CD1-CG 4.46Å; F508-L579 HydrophobicContact CD2-CB 4.41Å; F508-L579 HydrophobicContact CD2-CD1 4.32Å; F508-L579 HydrophobicContact CE1-CB 4.2Å; F508-L579 HydrophobicContact CE1-CD2 3.93Å; F508-L579 HydrophobicContact CE1-CG 4.45Å; F508-L579 HydrophobicContact CE2-CB 4.06Å; F508-L579 HydrophobicContact CG-CD1 3.98Å; F508-L579 HydrophobicContact CZ-CB 3.94Å; I520-L579 HydrophobicContact CD1-CB 4.23Å; I520-L579 HydrophobicContact CG1-CB 4.45Å; L575-L579 HydrophobicContact CD1-CD1 3.96Å; L575-L579 HydrophobicContact CD1-CD2 4.34Å; L575-L579 HydrophobicContact CD1-CG 3.97Å; L575-L579 HydrophobicContact CG-CD1 3.86Å; L575-L579 HydrophobicContact CG-CG 4.28Å; L575-L579 WeakPolarHBondContact O-CB 3.36Å; L575-L579 VanDerWaalsContact O-CG 3.22Å; L575-L579 WeakPolarHBondContact O-CG 3.4Å; L575-L579 PolarHBondContact O-N 3.48Å; V577-L579 VanDerWaalsContact C-N 3.3Å; V577-L579 PolarHBondContact O-N 3.48Å; L579-F581 VanDerWaalsContact C-N 3.25Å; L579-F581 PolarHBondContact O-N 3.23Å; L579-F582 PolarHBondContact O-N 3.42Å
580T83.1Confident73.6Confident6 Ų665.8 Ų65.84%0.03732%0.318CS..Hα-helixtrans-66.9-25.717571.30000113.3K234 R516 I520 P576 V577 F578 F582K234-T580 PolarHBondContact NZ-OG1 3.07Å; K234-T580 VanDerWaalsContact NZ-OG1 3.16Å; R516-T580 PolarHBondContact NH1-O 3.14Å; I520-T580 HydrophobicContact CD1-CG2 3.31Å; P576-T580 WeakPolarHBondContact O-CG2 3.36Å; P576-T580 PolarHBondContact O-N 2.93Å; V577-T580 WeakPolarHBondContact O-CB 3.37Å; V577-T580 PolarHBondContact O-N 3.19Å; V577-T580 PolarHBondContact O-OG1 2.97Å; F578-T580 PolarHBondContact O-N 3.12Å; T580-F582 VanDerWaalsContact C-N 3.26Å; T580-F582 PolarHBondContact O-N 3.02Å
581F78.1Confident71.4Confident114 Ų11473.9 Ų73.950%0.535%0.353SS..THydrogen-bonded Turntrans-75.9-12.7179.5-63.2-66000113K234 V238 V577 F578 L579K234-F581 HydrophobicContact CB-CZ 4.46Å; V238-F581 HydrophobicContact CG2-CE2 4.13Å; V238-F581 HydrophobicContact CG2-CZ 4.28Å; V577-F581 HydrophobicContact CG1-CE2 3.92Å; V577-F581 HydrophobicContact CG1-CZ 4.47Å; V577-F581 WeakPolarHBondContact O-CD2 3.38Å; F578-F581 PolarHBondContact O-N 3.4Å; L579-F581 VanDerWaalsContact C-N 3.25Å; L579-F581 PolarHBondContact O-N 3.23Å
582F68.8Low69.2Low75 Ų7579 Ų7933%0.32938%0.375SS..SBendtrans-84.8137.3-177.4-87.2-85.5000114.2W459 R516 L579 T580W459-F582 HydrophobicContact CD2-CE2 4.21Å; W459-F582 AromaticContact CE2-CE1 3.98Å; W459-F582 AromaticContact CE2-CE2 3.3Å; W459-F582 AromaticContact CE2-CZ 3.3Å; W459-F582 AromaticContact CH2-CE2 3.65Å; W459-F582 HydrophobicContact CH2-CE2 3.65Å; W459-F582 AromaticContact CH2-CZ 3.93Å; W459-F582 HydrophobicContact CH2-CZ 3.93Å; W459-F582 HydrophobicContact CZ2-CD2 4.23Å; W459-F582 HydrophobicContact CZ2-CE1 4.02Å; W459-F582 AromaticContact CZ2-CE2 3.07Å; W459-F582 HydrophobicContact CZ2-CE2 3.07Å; W459-F582 AromaticContact CZ2-CZ 2.98Å; W459-F582 HydrophobicContact CZ2-CZ 2.98Å; W459-F582 HydrophobicContact CZ3-CE2 4.4Å; W459-F582 AromaticContact NE1-CE1 3.5Å; W459-F582 AromaticContact NE1-CE2 3.6Å; W459-F582 AromaticContact NE1-CZ 3.33Å; W459-F582 VanDerWaalsContact NE1-CZ 3.33Å; R516-F582 WeakPolarHBondContact CD-O 2.85Å; L579-F582 PolarHBondContact O-N 3.42Å; T580-F582 VanDerWaalsContact C-N 3.26Å; T580-F582 PolarHBondContact O-N 3.02Å
583P55.4Low67Low101 Ų10185.4 Ų85.466%0.65640%0.403SS*.PPolyproline II helixtrans-78.5132.6172.529.1-30.7000111.2
584P53.7Low64.8Low84 Ų8493.5 Ų93.555%0.54543%0.431SS..PPolyproline II helixtrans-64.9143.2172.925.2-31.6000110.5K586P584-K586 PolarHBondContact O-N 2.65Å
585S50Low63Low91 Ų9195.7 Ų95.764%0.63645%0.45SS*.  trans-64.491.4176.8-178.90000111K587 R588S585-K587 PolarHBondContact O-N 3.14Å; S585-K587 VanDerWaalsContact O-N 3.07Å; S585-R588 PolarHBondContact O-N 2.85Å
586K47.9Very low61.4Low172 Ų172100 Ų10075%0.74847%0.468SS*.Hα-helixtrans-58-20.9177.3-67.1-178.7179.3178.10113.1P584 K590P584-K586 PolarHBondContact O-N 2.65Å; K586-K590 PolarHBondContact O-N 3.42Å
587K46.9Very low59.9Low189 Ų189107.9 Ų107.982%0.82250%0.497SS*.Hα-helixtrans-69.8-34.4-176-75.1-175.3178178.90113.2S585S585-K587 PolarHBondContact O-N 3.14Å; S585-K587 VanDerWaalsContact O-N 3.07Å
588R49.1Very low58.5Low171 Ų171114.1 Ų114.165%0.64552%0.524SS*.Hα-helixtrans-81.6-31.5-179.1-139.3174.4179.8179.5-0.2112.4S585 K591 K592S585-R588 PolarHBondContact O-N 2.85Å; R588-K591 PolarHBondContact O-N 3.43Å; R588-K592 WeakPolarHBondContact O-CB 3.46Å; R588-K592 PolarHBondContact O-N 2.89Å
589H45Very low57.2Low101 Ų101117.7 Ų117.747%0.46854%0.542SS..Hα-helixtrans-64.2-42.2176.1-167.458.8000112.4K591 K593H589-K591 PolarHBondContact O-N 2.92Å; H589-K593 WeakPolarHBondContact O-CB 3.39Å; H589-K593 PolarHBondContact O-N 2.85Å
590K46.5Very low56.4Low169 Ų169125.6 Ų125.674%0.73557%0.571SS**Hα-helixtrans-63.7-39.1173.4-95.6-175.8175.9-179.70113.1K586 R594K586-K590 PolarHBondContact O-N 3.42Å; K590-R594 WeakPolarHBondContact O-CB 3.2Å; K590-R594 PolarHBondContact O-N 3.13Å; K590-R594 VanDerWaalsContact O-N 3.14Å
591K48.3Very low55.5Low171 Ų171129.5 Ų129.574%0.74359%0.589SS**Hα-helixtrans-71.9-42.3-178.6-142.3179.7-170.9-174.20111.7R588 H589 R594 A595R588-K591 PolarHBondContact O-N 3.43Å; H589-K591 PolarHBondContact O-N 2.92Å; K591-R594 PolarHBondContact O-N 3.3Å; K591-A595 PolarHBondContact O-N 3.25Å; K591-A595 VanDerWaalsContact O-N 3.07Å
592K49.2Very low55.1Low107 Ų107131.7 Ų131.747%0.46559%0.594SS.*Hα-helixtrans-73.6-36.1177.5-160.9179.1-176.7-172.20112.8R588 R594 A595 K596R588-K592 WeakPolarHBondContact O-CB 3.46Å; R588-K592 PolarHBondContact O-N 2.89Å; K592-R594 VanDerWaalsContact C-N 3.34Å; K592-R594 PolarHBondContact O-N 3.45Å; K592-A595 PolarHBondContact O-N 2.99Å; K592-A595 VanDerWaalsContact O-N 3.13Å; K592-K596 PolarHBondContact O-N 2.73Å
593K47.4Very low54.9Low148 Ų148133.2 Ų133.264%0.64360%0.602SS**Hα-helixtrans-65.5-35.6172.8-163.7173.6-175174.60111.9H589 R597H589-K593 WeakPolarHBondContact O-CB 3.39Å; H589-K593 PolarHBondContact O-N 2.85Å; K593-R597 VanDerWaalsContact O-CB 3.31Å; K593-R597 WeakPolarHBondContact O-CB 3.48Å; K593-R597 PolarHBondContact O-N 3.06Å; K593-R597 VanDerWaalsContact O-N 3.13Å
594R49.9Very low55.5Low195 Ų195136.4 Ų136.474%0.73660%0.601SS**Hα-helixtrans-65.6-37.7168.7-95.8-178167.8-178.3-3.6112.6K590 K591 K592 K598K590-R594 WeakPolarHBondContact O-CB 3.2Å; K590-R594 PolarHBondContact O-N 3.13Å; K590-R594 VanDerWaalsContact O-N 3.14Å; K591-R594 PolarHBondContact O-N 3.3Å; K592-R594 VanDerWaalsContact C-N 3.34Å; K592-R594 PolarHBondContact O-N 3.45Å; R594-K598 WeakPolarHBondContact O-CG 3.4Å; R594-K598 PolarHBondContact O-N 3.34Å; R594-K598 VanDerWaalsContact O-N 3.11Å
595A56.9Low56.3Low54 Ų54138.2 Ų138.245%0.44660%0.602SS.*Hα-helixtrans-69-50.4177.500000112.6K591 K592 R597 K598 E599K591-A595 PolarHBondContact O-N 3.25Å; K591-A595 VanDerWaalsContact O-N 3.07Å; K592-A595 PolarHBondContact O-N 2.99Å; K592-A595 VanDerWaalsContact O-N 3.13Å; A595-R597 PolarHBondContact O-N 3.22Å; A595-K598 PolarHBondContact O-N 2.96Å; A595-K598 VanDerWaalsContact O-N 3.1Å; A595-E599 PolarHBondContact O-N 3.46Å
596K57Low57.2Low93 Ų93141.8 Ų141.840%0.40460%0.602SS.*Hα-helixtrans-58.7-34.1174.7-85.6-178.1171.7175.80112.5E513 K592 R600E513-K596 IonicContact OE1-NZ 2.6Å; E513-K596 PolarHBondContact OE1-NZ 2.92Å; E513-K596 IonicContact OE2-NZ 2.65Å; K592-K596 PolarHBondContact O-N 2.73Å; K596-R600 WeakPolarHBondContact O-CG 3.15Å; K596-R600 PolarHBondContact O-N 2.76Å; K596-R600 VanDerWaalsContact O-N 3.15Å
597R59.8Low58.1Low174 Ų174139.4 Ų139.466%0.65759%0.593SS**Hα-helixtrans-68.2-43.5174.7-176.3175.6172.5170.33.3111.9K593 A595 E599 R600 E601K593-R597 VanDerWaalsContact O-CB 3.31Å; K593-R597 WeakPolarHBondContact O-CB 3.48Å; K593-R597 PolarHBondContact O-N 3.06Å; K593-R597 VanDerWaalsContact O-N 3.13Å; A595-R597 PolarHBondContact O-N 3.22Å; R597-E599 VanDerWaalsContact C-N 3.31Å; R597-E599 PolarHBondContact O-N 3.29Å; R597-R600 PolarHBondContact O-N 3.35Å; R597-E601 WeakPolarHBondContact CG-OE1 3.18Å; R597-E601 IonicContact CZ-OE1 2.66Å; R597-E601 IonicContact NE-OE1 2.77Å; R597-E601 PolarHBondContact NE-OE1 3.44Å; R597-E601 IonicContact NH2-OE1 3.5Å; R597-E601 WeakPolarHBondContact O-CB 3.18Å; R597-E601 WeakPolarHBondContact O-CG 3.35Å; R597-E601 PolarHBondContact O-N 3.49Å
598K61.5Low59.2Low131 Ų131138.6 Ų138.657%0.5759%0.585SS**Hα-helixtrans-65.2-33.5175.5-77.4-173.9172.6-162.70113R594 A595 R602R594-K598 WeakPolarHBondContact O-CG 3.4Å; R594-K598 PolarHBondContact O-N 3.34Å; R594-K598 VanDerWaalsContact O-N 3.11Å; A595-K598 PolarHBondContact O-N 2.96Å; A595-K598 VanDerWaalsContact O-N 3.1Å; K598-R602 VanDerWaalsContact O-CG 3.28Å; K598-R602 WeakPolarHBondContact O-CG 3.39Å; K598-R602 PolarHBondContact O-N 3.05Å
599E62.3Low60.2Low120 Ų120136 Ų13656%0.56158%0.58SS**Hα-helixtrans-69.2-44.9177.2-166.5167.5-15400111.5A595 R597 E601 R602 E603A595-E599 PolarHBondContact O-N 3.46Å; R597-E599 VanDerWaalsContact C-N 3.31Å; R597-E599 PolarHBondContact O-N 3.29Å; E599-E601 VanDerWaalsContact C-N 3.34Å; E599-E601 PolarHBondContact O-N 2.65Å; E599-R602 PolarHBondContact O-N 3.03Å; E599-E603 PolarHBondContact O-N 3.13Å
600R66.7Low61.2Low172 Ų172140.2 Ų140.265%0.64959%0.592SS**Hα-helixtrans-65-33.7172.8-71.2-179.8-178.6-165.8-2.2113.8K596 R597 R604K596-R600 WeakPolarHBondContact O-CG 3.15Å; K596-R600 PolarHBondContact O-N 2.76Å; K596-R600 VanDerWaalsContact O-N 3.15Å; R597-R600 PolarHBondContact O-N 3.35Å; R600-R604 VanDerWaalsContact O-CG 3.3Å; R600-R604 WeakPolarHBondContact O-CG 3.42Å; R600-R604 PolarHBondContact O-N 3.45Å
601E66.1Low62.3Low88 Ų88137.8 Ų137.841%0.41158%0.583SS.*Hα-helixtrans-66.3-39.7173.6-77.5165.6-174.700110.7R597 E599 R604 E605R597-E601 WeakPolarHBondContact CG-OE1 3.18Å; R597-E601 IonicContact CZ-OE1 2.66Å; R597-E601 IonicContact NE-OE1 2.77Å; R597-E601 PolarHBondContact NE-OE1 3.44Å; R597-E601 IonicContact NH2-OE1 3.5Å; R597-E601 WeakPolarHBondContact O-CB 3.18Å; R597-E601 WeakPolarHBondContact O-CG 3.35Å; R597-E601 PolarHBondContact O-N 3.49Å; E599-E601 VanDerWaalsContact C-N 3.34Å; E599-E601 PolarHBondContact O-N 2.65Å; E601-R604 PolarHBondContact O-N 2.97Å; E601-E605 PolarHBondContact O-N 2.9Å
602R67.9Low63.3Low159 Ų159135.9 Ų135.960%0.658%0.577SS**Hα-helixtrans-69.8-36.7175.1-73.7171.1176.5-172.5-4.8114K598 E599 R604 E605 R606K598-R602 VanDerWaalsContact O-CG 3.28Å; K598-R602 WeakPolarHBondContact O-CG 3.39Å; K598-R602 PolarHBondContact O-N 3.05Å; E599-R602 PolarHBondContact O-N 3.03Å; R602-R604 VanDerWaalsContact C-N 3.34Å; R602-E605 PolarHBondContact O-N 3.44Å; R602-R606 WeakPolarHBondContact O-CG 3.36Å; R602-R606 PolarHBondContact O-N 3.39Å
603E65.5Low64.1Low108 Ų108135.5 Ų135.551%0.50558%0.579SS.*Hα-helixtrans-63.5-42.2173.8-78.2175.8159.600111.1E599 R606 E607E599-E603 PolarHBondContact O-N 3.13Å; E603-R606 PolarHBondContact O-N 2.9Å; E603-E607 PolarHBondContact O-N 3.46Å
604R68.7Low64.8Low168 Ų168134.4 Ų134.463%0.63458%0.576SS**Hα-helixtrans-66.3-35.2175.5-73174.1177.1-167.2-4.5113.6R600 E601 R602 R608R600-R604 VanDerWaalsContact O-CG 3.3Å; R600-R604 WeakPolarHBondContact O-CG 3.42Å; R600-R604 PolarHBondContact O-N 3.45Å; E601-R604 PolarHBondContact O-N 2.97Å; R602-R604 VanDerWaalsContact C-N 3.34Å; R604-R608 WeakPolarHBondContact O-CG 3.32Å; R604-R608 PolarHBondContact O-N 3.09Å; R604-R608 VanDerWaalsContact O-N 3.09Å
605E69.7Low65.4Low122 Ų122129.3 Ų129.357%0.5757%0.569SS**Hα-helixtrans-65-42.9172.3-82.3174.9165.200111.2E601 R602 E607 R608 E609E601-E605 PolarHBondContact O-N 2.9Å; R602-E605 PolarHBondContact O-N 3.44Å; E605-E607 PolarHBondContact O-N 3.38Å; E605-R608 PolarHBondContact O-N 2.97Å; E605-E609 WeakPolarHBondContact O-CG 3.35Å; E605-E609 PolarHBondContact O-N 3.2Å
606R69Low65.8Low166 Ų166131.1 Ų131.163%0.62657%0.571SS**Hα-helixtrans-66.3-34176.4-70.6174.9-172.5-173.90.6113.5R602 E603 R610R602-R606 WeakPolarHBondContact O-CG 3.36Å; R602-R606 PolarHBondContact O-N 3.39Å; E603-R606 PolarHBondContact O-N 2.9Å; R606-R610 PolarHBondContact O-N 3.5Å
607E67.3Low65.8Low121 Ų121132.8 Ų132.857%0.56558%0.58SS**Hα-helixtrans-66.3-44.1172.9-78.9175.616600111E603 E605 R610 E611E603-E607 PolarHBondContact O-N 3.46Å; E605-E607 PolarHBondContact O-N 3.38Å; E607-R610 WeakPolarHBondContact O-CB 3.37Å; E607-R610 PolarHBondContact O-N 3.25Å; E607-E611 WeakPolarHBondContact O-CG 3.34Å; E607-E611 PolarHBondContact O-N 3.22Å
608R69.1Low65.7Low172 Ų172128.9 Ų128.965%0.64958%0.575SS**Hα-helixtrans-64.1-40.7175.1-72.8179.1-168.8-1700.4113.1R604 E605 R610 E611 E612R604-R608 WeakPolarHBondContact O-CG 3.32Å; R604-R608 PolarHBondContact O-N 3.09Å; R604-R608 VanDerWaalsContact O-N 3.09Å; E605-R608 PolarHBondContact O-N 2.97Å; R608-R610 VanDerWaalsContact C-N 3.3Å; R608-R610 PolarHBondContact O-N 3.39Å; R608-E611 PolarHBondContact O-N 2.98Å; R608-E612 PolarHBondContact O-N 3.39Å
609E69.4Low65.5Low118 Ų118133.2 Ų133.255%0.55159%0.588SS**Hα-helixtrans-62.9-37.9174.6-76.4177171.800111.2E605 I613E605-E609 WeakPolarHBondContact O-CG 3.35Å; E605-E609 PolarHBondContact O-N 3.2Å; E609-I613 WeakPolarHBondContact O-CB 3.33Å; E609-I613 WeakPolarHBondContact O-CD1 3.34Å; E609-I613 WeakPolarHBondContact O-CG1 3.42Å; E609-I613 PolarHBondContact O-N 3.49Å
610R66.9Low65.2Low188 Ų188135 Ų13571%0.70960%0.597SS**Hα-helixtrans-64.5-45172.3-82.4-177.2-163-114.1-0.5112.4R606 E607 R608 E612 I613 E614R606-R610 PolarHBondContact O-N 3.5Å; E607-R610 WeakPolarHBondContact O-CB 3.37Å; E607-R610 PolarHBondContact O-N 3.25Å; R608-R610 VanDerWaalsContact C-N 3.3Å; R608-R610 PolarHBondContact O-N 3.39Å; R610-E612 VanDerWaalsContact C-N 3.32Å; R610-E612 PolarHBondContact O-N 3.44Å; R610-I613 PolarHBondContact O-N 2.68Å; R610-E614 PolarHBondContact O-N 2.97Å
611E69.8Low64.7Low118 Ų118131.2 Ų131.255%0.55159%0.589SS**Hα-helixtrans-63.2-38.1178.1-73174.9176.200111.6E607 R608 C615E607-E611 WeakPolarHBondContact O-CG 3.34Å; E607-E611 PolarHBondContact O-N 3.22Å; R608-E611 PolarHBondContact O-N 2.98Å; E611-C615 WeakPolarHBondContact O-CB 3.23Å; E611-C615 PolarHBondContact O-N 3.5Å; E611-C615 PolarHBondContact O-SG 2.96Å
612E68.4Low64.2Low131 Ų131131.5 Ų131.561%0.61260%0.599SS**Hα-helixtrans-67.5-40.3174.2-80.9-175.6172.100112.2R608 R610 C615 I616R608-E612 PolarHBondContact O-N 3.39Å; R610-E612 VanDerWaalsContact C-N 3.32Å; R610-E612 PolarHBondContact O-N 3.44Å; E612-C615 PolarHBondContact O-N 3Å; E612-I616 WeakPolarHBondContact O-CD1 3.34Å; E612-I616 VanDerWaalsContact O-CG1 3.27Å; E612-I616 WeakPolarHBondContact O-CG1 3.46Å; E612-I616 PolarHBondContact O-N 3.17Å
613I67.4Low63.5Low99 Ų99130.5 Ų130.551%0.50861%0.605SS.*Hα-helixtrans-65.6-44.8175.8-68.2163.7000110.9E609 R610 C615 I616 E617E609-I613 WeakPolarHBondContact O-CB 3.33Å; E609-I613 WeakPolarHBondContact O-CD1 3.34Å; E609-I613 WeakPolarHBondContact O-CG1 3.42Å; E609-I613 PolarHBondContact O-N 3.49Å; R610-I613 PolarHBondContact O-N 2.68Å; I613-C615 VanDerWaalsContact C-N 3.32Å; I613-C615 PolarHBondContact O-N 3.29Å; I613-I616 PolarHBondContact O-N 3.16Å; I613-E617 PolarHBondContact O-N 2.99Å
614E62Low62.9Low125 Ų125132.7 Ų132.758%0.58462%0.615SS**Hα-helixtrans-60.1-41.3173.7-99.4-179.9162.300111.4R610 I616 E617 V618R610-E614 PolarHBondContact O-N 2.97Å; E614-I616 VanDerWaalsContact C-N 3.32Å; E614-I616 PolarHBondContact O-N 3.12Å; E614-E617 PolarHBondContact O-N 2.91Å; E614-V618 WeakPolarHBondContact O-CB 3.36Å; E614-V618 WeakPolarHBondContact O-CG2 3.49Å; E614-V618 PolarHBondContact O-N 3.28Å
615C61.3Low62Low88 Ų88130.3 Ų130.360%0.59562%0.619SS**Hα-helixtrans-67.4-30.4176.8-71.70000113.1E611 E612 I613 R619E611-C615 WeakPolarHBondContact O-CB 3.23Å; E611-C615 PolarHBondContact O-N 3.5Å; E611-C615 PolarHBondContact O-SG 2.96Å; E612-C615 PolarHBondContact O-N 3Å; I613-C615 VanDerWaalsContact C-N 3.32Å; I613-C615 PolarHBondContact O-N 3.29Å; C615-R619 WeakPolarHBondContact O-CB 3.3Å; C615-R619 PolarHBondContact O-N 3.14Å
616I65.3Low61Low93 Ų93129.9 Ų129.948%0.47763%0.625SS.*Hα-helixtrans-75.1-44.5174.8-69.9161000110.4E612 I613 E614 V618 R619 E620E612-I616 WeakPolarHBondContact O-CD1 3.34Å; E612-I616 VanDerWaalsContact O-CG1 3.27Å; E612-I616 WeakPolarHBondContact O-CG1 3.46Å; E612-I616 PolarHBondContact O-N 3.17Å; I613-I616 PolarHBondContact O-N 3.16Å; E614-I616 VanDerWaalsContact C-N 3.32Å; E614-I616 PolarHBondContact O-N 3.12Å; I616-V618 VanDerWaalsContact C-N 3.34Å; I616-V618 PolarHBondContact O-N 3.34Å; I616-R619 PolarHBondContact O-N 3.32Å; I616-E620 HydrophobicContact CG2-CG 4.46Å; I616-E620 PolarHBondContact O-N 3.32Å
617E56.9Low59.7Low128 Ų128129.4 Ų129.460%0.59864%0.635SS**Hα-helixtrans-60.4-40.9175.9-81.7-174.3156.100112.1I613 E614 R619 E620 N621I613-E617 PolarHBondContact O-N 2.99Å; E614-E617 PolarHBondContact O-N 2.91Å; E617-R619 PolarHBondContact O-N 2.96Å; E617-E620 PolarHBondContact O-N 3.33Å; E617-N621 PolarHBondContact O-N 3.38Å
618V58.7Low58.2Low91 Ų91134.2 Ų134.255%0.55267%0.672SS**Hα-helixtrans-66.2-27.5175.3171.60000112.1E614 I616E614-V618 WeakPolarHBondContact O-CB 3.36Å; E614-V618 WeakPolarHBondContact O-CG2 3.49Å; E614-V618 PolarHBondContact O-N 3.28Å; I616-V618 VanDerWaalsContact C-N 3.34Å; I616-V618 PolarHBondContact O-N 3.34Å
619R56.7Low57.7Low223 Ų223132.3 Ų132.384%0.84267%0.673SS**Hα-helixtrans-85.1-28.8179.4-154.8177.6-169-172.82.9112.9C615 I616 E617C615-R619 WeakPolarHBondContact O-CB 3.3Å; C615-R619 PolarHBondContact O-N 3.14Å; I616-R619 PolarHBondContact O-N 3.32Å; E617-R619 PolarHBondContact O-N 2.96Å
620E57.4Low57.1Low158 Ų158133.1 Ų133.174%0.73868%0.679SS**Hα-helixtrans-86.3-19.3176.9-72.3-171.1163.300113.2I616 E617I616-E620 HydrophobicContact CG2-CG 4.46Å; I616-E620 PolarHBondContact O-N 3.32Å; E617-E620 PolarHBondContact O-N 3.33Å
621N54.8Low56.5Low91 Ų91130 Ų13049%0.48768%0.678SS.*  trans-138.572.5-179.3-143.75.3000113.4E617 D623E617-N621 PolarHBondContact O-N 3.38Å; N621-D623 PolarHBondContact O-N 3.38Å; N621-D623 VanDerWaalsContact O-N 3.14Å
622P55.3Low55.8Low95 Ų95130.7 Ų130.762%0.61769%0.685SS**G310 helixtrans-67.4-11.4-175.525.6-33.1000115H624P622-H624 PolarHBondContact O-N 2.96Å
623D54.6Low55Low138 Ų138130.7 Ų130.774%0.73869%0.689SS**G310 helixtrans-87.50.1-173.5-66.8-23.8000114.3N621N621-D623 PolarHBondContact O-N 3.38Å; N621-D623 VanDerWaalsContact O-N 3.14Å
624H52.2Low54.1Low153 Ų153132.8 Ų132.871%0.70870%0.702SS**G310 helixtrans-96.5-2.1-174.1-120.9-47.3000116.4P622P622-H624 PolarHBondContact O-N 2.96Å
625V50.9Low53.6Low118 Ų118133.4 Ų133.472%0.71571%0.71SS**SBendtrans-98.7-8-176-175.40000113.2N627V625-N627 PolarHBondContact O-N 3.17Å
626T46.9Very low53Low114 Ų114136.8 Ų136.870%0.69972%0.719SS**SBendtrans-100.576.317053.10000110.5
627N42.8Very low52Low155 Ų155140.5 Ų140.583%0.82974%0.739SS**  trans171.191.1147.8-85.6-22.7000108.9V625V625-N627 PolarHBondContact O-N 3.17Å
628V36.4Very low51.5Low222 Ų222141.6 Ų141.6100%1.34575%0.752SS**  1790129.6157.10000107.6

Retrieved 628 of 628 residues in 4724.8 ms (Link to these results)

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