A0A3Q0KKF5_SCHMA Loading...

Myotubularin-related protein

AlphaFold DB , UniProt , Accession A0A3Q0KKF5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 738 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
1M69.6Low88.1Confident171 Ų17160.2 Ų60.284%0.84230%0.3SS*.  0108.10-70.2-105.9169.900107T22 F23M1-T22 HydrophobicContact SD-CG2 4.41Å; M1-F23 WeakPolarHBondContact CA-O 3.47Å
2H87.9Confident87.3Confident114 Ų11458.4 Ų58.453%0.52830%0.296SS..  trans-90.4146173.9-69.1-80.5000108.9F23 L94H2-F23 HydrophobicContact CB-CB 4.39Å; H2-F23 HydrophobicContact CB-CD2 4.49Å; H2-F23 PolarHBondContact O-N 2.96Å; H2-L94 HydrophobicContact CB-CD1 3.76Å
3S92Very high86.2Confident66 Ų6658.1 Ų58.146%0.46230%0.302SS..EExtended strand (participates in β ladder)trans-136.6147.7175.558.60000111.5L21S3-L21 CarbonylContact C-O 3.58Å; S3-L21 WeakPolarHBondContact CA-O 3.44Å
4F92.2Very high85.5Confident27 Ų2760.2 Ų60.212%0.11831%0.31CS..EExtended strand (participates in β ladder)trans-126122.5176.7-60.9-85.2000108.9V7 R20 L21 F23 V87 L91 L94F4-V7 HydrophobicContact CB-CG2 3.68Å; F4-R20 CarbonylContact O-C 3.6Å; F4-R20 WeakPolarHBondContact O-CA 3.46Å; F4-L21 HydrophobicContact CB-CB 4.4Å; F4-L21 HydrophobicContact CD2-CD2 4.43Å; F4-L21 PolarHBondContact N-O 2.76Å; F4-L21 PolarHBondContact O-N 2.6Å; F4-F23 HydrophobicContact CD2-CD2 4.26Å; F4-F23 AromaticContact CD2-CE2 3.89Å; F4-F23 HydrophobicContact CD2-CE2 3.89Å; F4-F23 HydrophobicContact CE2-CD2 4.03Å; F4-F23 AromaticContact CE2-CE2 3.62Å; F4-F23 HydrophobicContact CE2-CE2 3.62Å; F4-V87 HydrophobicContact CD1-CG1 3.69Å; F4-V87 HydrophobicContact CE1-CG1 4.18Å; F4-L91 HydrophobicContact CD2-CD1 4.12Å; F4-L91 HydrophobicContact CE2-CB 4.5Å; F4-L91 HydrophobicContact CE2-CD1 3.92Å; F4-L91 HydrophobicContact CZ-CB 4.31Å; F4-L94 HydrophobicContact CE2-CD1 3.53Å; F4-L94 HydrophobicContact CZ-CD1 3.54Å
5E91.4Very high85.2Confident105 Ų10561.2 Ų61.249%0.49132%0.324SS..EExtended strand (participates in β ladder)trans-83.3160.6173.7-57.3-62.7163.200110.4V7 K19 R20E5-V7 VanDerWaalsContact C-N 3.27Å; E5-V7 PolarHBondContact O-N 3.45Å; E5-K19 CarbonylContact C-O 3.6Å; E5-R20 WeakPolarHBondContact OE1-CD 3.36Å; E5-R20 IonicContact OE1-NH1 3.97Å; E5-R20 WeakPolarHBondContact OE2-CB 3.38Å
6D89.4Confident84.8Confident94 Ų9459.3 Ų59.350%0.50331%0.314SS..EExtended strand (participates in β ladder)trans58.231.3175.4-63.9-38.6000115.4R8 K19D6-R8 PolarHBondContact O-N 3.13Å; D6-K19 PolarHBondContact N-O 3.28Å
7V91.1Very high84.5Confident3 Ų356.9 Ų56.92%0.01831%0.307CS..EExtended strand (participates in β ladder)trans-82115.1172.5-174.30000109.7F4 E5 S18 L21 L80 V82F4-V7 HydrophobicContact CB-CG2 3.68Å; E5-V7 VanDerWaalsContact C-N 3.27Å; E5-V7 PolarHBondContact O-N 3.45Å; V7-S18 WeakPolarHBondContact O-CA 3.31Å; V7-L21 HydrophobicContact CB-CB 4.2Å; V7-L21 HydrophobicContact CG1-CB 4.47Å; V7-L21 HydrophobicContact CG2-CB 3.85Å; V7-L80 HydrophobicContact CG1-CB 4.12Å; V7-V82 HydrophobicContact CB-CG1 4.49Å; V7-V82 HydrophobicContact CG1-CG1 4.28Å; V7-V82 HydrophobicContact CG2-CG1 3.99Å
8R90.5Very high84.2Confident58 Ų5855.8 Ų55.822%0.21931%0.305CS..EExtended strand (participates in β ladder)trans-89.5127.7174.8-78176.2-71-157.76.7111D6 F10 G17 S18 L63 T64 L80 T81 N83D6-R8 PolarHBondContact O-N 3.13Å; R8-F10 HydrophobicContact CB-CE2 3.71Å; R8-F10 HydrophobicContact CB-CZ 4.23Å; R8-G17 WeakPolarHBondContact CA-O 3.39Å; R8-S18 VanDerWaalsContact CG-CB 3.49Å; R8-S18 WeakPolarHBondContact CG-OG 3.18Å; R8-L63 VanDerWaalsContact CZ-CD1 3.43Å; R8-T64 PolarHBondContact NH2-O 3.47Å; R8-L80 CarbonylContact O-C 3.57Å; R8-L80 WeakPolarHBondContact O-CA 3.18Å; R8-T81 PolarHBondContact N-O 3.18Å; R8-T81 PolarHBondContact O-N 2.94Å; R8-N83 PolarHBondContact NH2-OD1 3.45Å; R8-N83 VanDerWaalsContact NH2-OD1 3.1Å
9V90.1Very high84.1Confident1 Ų158.3 Ų58.31%0.00631%0.312CS..EExtended strand (participates in β ladder)trans-109.6126.1-179-171.10000110.6L16 G17 F30 Y78 E79 L80V9-L16 HydrophobicContact CB-CB 4.05Å; V9-L16 HydrophobicContact CB-CD1 4.31Å; V9-L16 HydrophobicContact CG1-CB 4.36Å; V9-L16 HydrophobicContact CG1-CD1 3.73Å; V9-L16 PolarHBondContact O-N 3.19Å; V9-G17 PolarHBondContact N-O 3.44Å; V9-F30 HydrophobicContact CG2-CB 4.41Å; V9-F30 HydrophobicContact CG2-CD1 3.48Å; V9-F30 VanDerWaalsContact CG2-CD1 3.48Å; V9-F30 HydrophobicContact CG2-CE1 3.84Å; V9-F30 HydrophobicContact CG2-CG 3.96Å; V9-Y78 HydrophobicContact CG1-CD1 4.23Å; V9-E79 CarbonylContact C-O 3.53Å; V9-E79 WeakPolarHBondContact CA-O 3.28Å; V9-L80 HydrophobicContact CB-CD2 4.27Å; V9-L80 HydrophobicContact CG1-CD2 3.85Å; V9-L80 HydrophobicContact CG2-CD2 3.83Å
10F88.6Confident84.5Confident16 Ų1659.9 Ų59.97%0.0731%0.313CS..EExtended strand (participates in β ladder)trans-118.7145.8175.1-58.1-90.9000111R8 F58 T59 P60 L63 E79R8-F10 HydrophobicContact CB-CE2 3.71Å; R8-F10 HydrophobicContact CB-CZ 4.23Å; F10-F58 HydrophobicContact CB-CB 4.07Å; F10-T59 HydrophobicContact CD2-CG2 4.18Å; F10-T59 WeakPolarHBondContact CD2-OG1 3.36Å; F10-T59 HydrophobicContact CE2-CG2 3.94Å; F10-T59 HydrophobicContact CZ-CG2 4.44Å; F10-P60 HydrophobicContact CE1-CG 4.39Å; F10-L63 HydrophobicContact CE2-CD2 3.6Å; F10-L63 HydrophobicContact CZ-CD2 3.51Å; F10-E79 HydrophobicContact CB-CB 4.13Å; F10-E79 PolarHBondContact N-O 3.34Å; F10-E79 PolarHBondContact O-N 3.1Å
11T86.1Confident84.9Confident7 Ų757 Ų574%0.04330%0.299CS..  trans-131.2168174.962.40000108.4S13 Q14 L16 Y78T11-S13 PolarHBondContact O-N 2.83Å; T11-S13 VanDerWaalsContact O-N 3.16Å; T11-Q14 PolarHBondContact N-O 3Å; T11-Q14 PolarHBondContact O-N 2.62Å; T11-Q14 VanDerWaalsContact OG1-CG 3.31Å; T11-Q14 WeakPolarHBondContact OG1-CG 3.27Å; T11-Q14 PolarHBondContact OG1-N 2.98Å; T11-Q14 PolarHBondContact OG1-O 2.84Å; T11-L16 HydrophobicContact CG2-CD1 3.71Å; T11-L16 HydrophobicContact CG2-CG 4.25Å; T11-Y78 HydrophobicContact CG2-CD1 3.82Å; T11-Y78 HydrophobicContact CG2-CE1 4.1Å
12P78.6Confident86.1Confident39 Ų3950.2 Ų50.225%0.25327%0.267SS..SBendtrans-53.1-35.9178.5-22.928.7000114.3F58 Q684 L685P12-F58 HydrophobicContact CB-CD1 4.34Å; P12-F58 HydrophobicContact CB-CE1 3.91Å; P12-F58 HydrophobicContact CB-CZ 4.14Å; P12-F58 HydrophobicContact CG-CD1 4.48Å; P12-F58 HydrophobicContact CG-CE1 3.83Å; P12-F58 HydrophobicContact CG-CE2 3.89Å; P12-F58 HydrophobicContact CG-CZ 3.51Å; P12-Q684 VanDerWaalsContact CD-OE1 3.28Å; P12-Q684 HydrophobicContact CG-CB 4.4Å; P12-Q684 HydrophobicContact CG-CG 4.17Å; P12-L685 HydrophobicContact CB-CD2 3.97Å; P12-L685 HydrophobicContact CG-CD2 4.19Å
13S73Confident86.4Confident54 Ų5445.2 Ų45.238%0.37824%0.243SC..SBendtrans-96.6-24.9-173.565.70000114.1T11T11-S13 PolarHBondContact O-N 2.83Å; T11-S13 VanDerWaalsContact O-N 3.16Å
14Q76.3Confident86.4Confident88 Ų8842.7 Ų42.741%0.41123%0.228SC..  trans-156.7152.8-170.462.4-173.4-1.300114.5T11 L16T11-Q14 PolarHBondContact N-O 3Å; T11-Q14 PolarHBondContact O-N 2.62Å; T11-Q14 VanDerWaalsContact OG1-CG 3.31Å; T11-Q14 WeakPolarHBondContact OG1-CG 3.27Å; T11-Q14 PolarHBondContact OG1-N 2.98Å; T11-Q14 PolarHBondContact OG1-O 2.84Å; Q14-L16 HydrophobicContact CG-CD2 4Å; Q14-L16 HydrophobicContact CG-CG 4.3Å
15S81.7Confident86.3Confident75 Ų7548.3 Ų48.352%0.52425%0.254SS..EExtended strand (participates in β ladder)trans-84.9112.2160.5168.50000108.5G17S15-G17 PolarHBondContact O-N 3Å
16L79.3Confident86.4Confident31 Ų3144.4 Ų44.416%0.16224%0.236CC..EExtended strand (participates in β ladder)trans-73.9-13.7-178.9-73.6174.3000113V9 T11 Q14 L32 V37V9-L16 HydrophobicContact CB-CB 4.05Å; V9-L16 HydrophobicContact CB-CD1 4.31Å; V9-L16 HydrophobicContact CG1-CB 4.36Å; V9-L16 HydrophobicContact CG1-CD1 3.73Å; V9-L16 PolarHBondContact O-N 3.19Å; T11-L16 HydrophobicContact CG2-CD1 3.71Å; T11-L16 HydrophobicContact CG2-CG 4.25Å; Q14-L16 HydrophobicContact CG-CD2 4Å; Q14-L16 HydrophobicContact CG-CG 4.3Å; L16-L32 HydrophobicContact CB-CD1 3.76Å; L16-L32 HydrophobicContact CB-CD2 4.04Å; L16-L32 HydrophobicContact CD1-CD1 4.46Å; L16-L32 HydrophobicContact CD2-CD1 4Å; L16-L32 HydrophobicContact CG-CD1 4.29Å; L16-L32 WeakPolarHBondContact O-CD2 3.29Å; L16-V37 HydrophobicContact CD1-CG2 4.31Å
17G78.9Confident86.5Confident19 Ų1942.5 Ų42.520%0.19622%0.224CC..EExtended strand (participates in β ladder)trans105.9-168177.300000113.4R8 V9 S15R8-G17 WeakPolarHBondContact CA-O 3.39Å; V9-G17 PolarHBondContact N-O 3.44Å; S15-G17 PolarHBondContact O-N 3Å
18S78.4Confident86.6Confident37 Ų3742.4 Ų42.426%0.25922%0.224SC..EExtended strand (participates in β ladder)trans-135.5129.8-177-162.80000110.1V7 R8V7-S18 WeakPolarHBondContact O-CA 3.31Å; R8-S18 VanDerWaalsContact CG-CB 3.49Å; R8-S18 WeakPolarHBondContact CG-OG 3.18Å
19K83.9Confident86.7Confident102 Ų10240.5 Ų40.544%0.44322%0.218SC..EExtended strand (participates in β ladder)trans-160.3-82.1164.8-174.1-178.2-176.2-179.60110E5 D6 Q31E5-K19 CarbonylContact C-O 3.6Å; D6-K19 PolarHBondContact N-O 3.28Å; K19-Q31 VanDerWaalsContact CB-O 3.31Å; K19-Q31 WeakPolarHBondContact CB-O 3.49Å; K19-Q31 HydrophobicContact CD-CB 4.22Å
20R91.2Very high86.8Confident90 Ų9040.6 Ų40.634%0.3422%0.218SC..EExtended strand (participates in β ladder)trans-148.9137.6-172.3-172.1167.167.8-178.6-2.7112.8F4 E5 Q31F4-R20 CarbonylContact O-C 3.6Å; F4-R20 WeakPolarHBondContact O-CA 3.46Å; E5-R20 WeakPolarHBondContact OE1-CD 3.36Å; E5-R20 IonicContact OE1-NH1 3.97Å; E5-R20 WeakPolarHBondContact OE2-CB 3.38Å; R20-Q31 HydrophobicContact CB-CB 4.43Å; R20-Q31 PolarHBondContact O-N 2.81Å
21L93.8Very high86.7Confident1 Ų141.8 Ų41.81%0.00522%0.224CC..EExtended strand (participates in β ladder)trans-106.7124.4168.9170.658.3000109.4S3 F4 V7 F23 L28 T29 F30 L91S3-L21 CarbonylContact C-O 3.58Å; S3-L21 WeakPolarHBondContact CA-O 3.44Å; F4-L21 HydrophobicContact CB-CB 4.4Å; F4-L21 HydrophobicContact CD2-CD2 4.43Å; F4-L21 PolarHBondContact N-O 2.76Å; F4-L21 PolarHBondContact O-N 2.6Å; V7-L21 HydrophobicContact CB-CB 4.2Å; V7-L21 HydrophobicContact CG1-CB 4.47Å; V7-L21 HydrophobicContact CG2-CB 3.85Å; L21-F23 HydrophobicContact CD2-CE2 3.98Å; L21-F23 HydrophobicContact CG-CE2 4.07Å; L21-L28 HydrophobicContact CD1-CB 3.95Å; L21-L28 HydrophobicContact CD1-CD1 3.96Å; L21-L28 HydrophobicContact CD1-CG 4.48Å; L21-T29 WeakPolarHBondContact CA-O 3.48Å; L21-F30 HydrophobicContact CB-CD1 4.29Å; L21-F30 HydrophobicContact CB-CE1 4.44Å; L21-F30 HydrophobicContact CD1-CD1 3.7Å; L21-F30 HydrophobicContact CD1-CE1 3.53Å; L21-F30 HydrophobicContact CD1-CG 4.38Å; L21-F30 HydrophobicContact CD1-CZ 4.12Å; L21-F30 HydrophobicContact CD2-CE1 4.06Å; L21-F30 HydrophobicContact CG-CD1 4.43Å; L21-F30 HydrophobicContact CG-CE1 4.21Å; L21-L91 HydrophobicContact CD2-CD1 3.58Å; L21-L91 HydrophobicContact CD2-CD2 4.04Å
22T94.4Very high86.6Confident28 Ų2841.8 Ų41.817%0.17222%0.224CC..EExtended strand (participates in β ladder)trans-118.8133.6178.8-55.80000111.1M1 L28 T29M1-T22 HydrophobicContact SD-CG2 4.41Å; T22-L28 WeakPolarHBondContact O-CA 3.39Å; T22-T29 PolarHBondContact N-O 3.47Å; T22-T29 PolarHBondContact O-N 3.08Å
23F94.5Very high86.4Confident8 Ų849.9 Ų49.94%0.03525%0.25CC..EExtended strand (participates in β ladder)trans-91105172.9-77.6-103.2000110.2M1 H2 F4 L21 Y41 L91 L94 L95 V98M1-F23 WeakPolarHBondContact CA-O 3.47Å; H2-F23 HydrophobicContact CB-CB 4.39Å; H2-F23 HydrophobicContact CB-CD2 4.49Å; H2-F23 PolarHBondContact O-N 2.96Å; F4-F23 HydrophobicContact CD2-CD2 4.26Å; F4-F23 AromaticContact CD2-CE2 3.89Å; F4-F23 HydrophobicContact CD2-CE2 3.89Å; F4-F23 HydrophobicContact CE2-CD2 4.03Å; F4-F23 AromaticContact CE2-CE2 3.62Å; F4-F23 HydrophobicContact CE2-CE2 3.62Å; L21-F23 HydrophobicContact CD2-CE2 3.98Å; L21-F23 HydrophobicContact CG-CE2 4.07Å; F23-Y41 WeakPolarHBondContact CA-OH 3.49Å; F23-Y41 HydrophobicContact CD1-CE1 4.08Å; F23-L91 HydrophobicContact CE2-CD1 3.54Å; F23-L91 HydrophobicContact CZ-CD1 3.46Å; F23-L91 VanDerWaalsContact CZ-CD1 3.46Å; F23-L94 HydrophobicContact CD1-CB 4.42Å; F23-L94 HydrophobicContact CD2-CD1 4.4Å; F23-L94 HydrophobicContact CE1-CB 3.87Å; F23-L94 HydrophobicContact CE2-CD1 4.32Å; F23-L94 HydrophobicContact CZ-CB 3.98Å; F23-L95 HydrophobicContact CE1-CD2 4.31Å; F23-L95 HydrophobicContact CZ-CD2 4.2Å; F23-L95 HydrophobicContact CZ-CG 4.37Å; F23-V98 HydrophobicContact CD1-CG1 4.25Å; F23-V98 HydrophobicContact CE1-CG2 4.2Å
24G91.8Very high86.6Confident13 Ų1355 Ų5513%0.13427%0.273CS..  trans-73.9-170172.900000113.4H27 Y41G24-H27 WeakPolarHBondContact CA-O 3.38Å; G24-H27 PolarHBondContact N-O 3.46Å; G24-Y41 PolarHBondContact N-OH 2.76Å; G24-Y41 PolarHBondContact O-OH 3.48Å
25Q90.3Very high86.7Confident145 Ų14554.1 Ų54.168%0.67828%0.276SS*.SBendtrans-73-36.7175-168.7-179.3-8.400112.2Y41Q25-Y41 WeakPolarHBondContact O-CE2 3.17Å
26H91.9Very high86.9Confident23 Ų2354.8 Ų54.811%0.10627%0.274CS..SBendtrans-134.6-1.4-174.7-62.2-70.7000114.4Y41 L106 Y108 A111H26-Y41 PolarHBondContact O-N 3.22Å; H26-L106 PolarHBondContact CE1-O 2.84Å; H26-Y108 HydrophobicContact CB-CD2 3.51Å; H26-Y108 HydrophobicContact CB-CE2 4.22Å; H26-Y108 HydrophobicContact CB-CG 3.8Å; H26-Y108 AromaticContact CD2-CD2 3.57Å; H26-Y108 AromaticContact CG-CD2 3.55Å; H26-A111 WeakPolarHBondContact NE2-CB 3.49Å
27H93Very high87.3Confident55 Ų5554.8 Ų54.826%0.25528%0.275SS..EExtended strand (participates in β ladder)trans-148154.6-175.956.5-98000110.1G24 T29 I38 I39 Y41G24-H27 WeakPolarHBondContact CA-O 3.38Å; G24-H27 PolarHBondContact N-O 3.46Å; H27-T29 PolarHBondContact CD2-OG1 3.4Å; H27-I38 HydrophobicContact CB-CG2 3.73Å; H27-I39 CarbonylContact C-O 3.6Å; H27-I39 VanDerWaalsContact CA-O 3.25Å; H27-I39 WeakPolarHBondContact CA-O 3.42Å; H27-I39 WeakPolarHBondContact CB-O 3.22Å; H27-Y41 PolarHBondContact O-OH 3.18Å
28L93.1Very high87.8Confident1 Ų158.9 Ų58.91%0.00529%0.291CS..EExtended strand (participates in β ladder)trans-97.3143.716462.889.1000109.4L21 T22 F30 I38 I39 Y41 I44 L70 L95L21-L28 HydrophobicContact CD1-CB 3.95Å; L21-L28 HydrophobicContact CD1-CD1 3.96Å; L21-L28 HydrophobicContact CD1-CG 4.48Å; T22-L28 WeakPolarHBondContact O-CA 3.39Å; L28-F30 HydrophobicContact CD1-CD2 3.7Å; L28-F30 HydrophobicContact CD1-CE1 4.21Å; L28-F30 HydrophobicContact CD1-CE2 3.11Å; L28-F30 HydrophobicContact CD1-CG 4.46Å; L28-F30 HydrophobicContact CD1-CZ 3.39Å; L28-I38 WeakPolarHBondContact O-CA 3.23Å; L28-I39 HydrophobicContact CD1-CB 3.73Å; L28-I39 HydrophobicContact CD1-CD1 4.21Å; L28-I39 HydrophobicContact CD1-CG1 4.01Å; L28-I39 HydrophobicContact CD2-CB 4.37Å; L28-I39 HydrophobicContact CG-CB 3.88Å; L28-I39 PolarHBondContact N-O 3.28Å; L28-I39 PolarHBondContact O-N 2.85Å; L28-Y41 HydrophobicContact CB-CE1 4.14Å; L28-I44 HydrophobicContact CD2-CD1 3.87Å; L28-L70 HydrophobicContact CD2-CD2 4.4Å; L28-L95 HydrophobicContact CD2-CD2 4.15Å
29T92.7Very high88.4Confident17 Ų1757.5 Ų57.510%0.10428%0.281CS..EExtended strand (participates in β ladder)trans-121.2117.3178.6-55.80000109L21 T22 H27 Q31 D36 I38L21-T29 WeakPolarHBondContact CA-O 3.48Å; T22-T29 PolarHBondContact N-O 3.47Å; T22-T29 PolarHBondContact O-N 3.08Å; H27-T29 PolarHBondContact CD2-OG1 3.4Å; T29-Q31 HydrophobicContact CG2-CG 4.21Å; T29-D36 HydrophobicContact CG2-CB 4.09Å; T29-I38 HydrophobicContact CG2-CG1 4.21Å
30F90.4Very high88.8Confident3 Ų353.6 Ų53.61%0.01326%0.264CS..EExtended strand (participates in β ladder)trans-85.9109.5164-57.1-75.7000108.1V9 L21 L28 L32 D36 V37 I39 L80V9-F30 HydrophobicContact CG2-CB 4.41Å; V9-F30 HydrophobicContact CG2-CD1 3.48Å; V9-F30 VanDerWaalsContact CG2-CD1 3.48Å; V9-F30 HydrophobicContact CG2-CE1 3.84Å; V9-F30 HydrophobicContact CG2-CG 3.96Å; L21-F30 HydrophobicContact CB-CD1 4.29Å; L21-F30 HydrophobicContact CB-CE1 4.44Å; L21-F30 HydrophobicContact CD1-CD1 3.7Å; L21-F30 HydrophobicContact CD1-CE1 3.53Å; L21-F30 HydrophobicContact CD1-CG 4.38Å; L21-F30 HydrophobicContact CD1-CZ 4.12Å; L21-F30 HydrophobicContact CD2-CE1 4.06Å; L21-F30 HydrophobicContact CG-CD1 4.43Å; L21-F30 HydrophobicContact CG-CE1 4.21Å; L28-F30 HydrophobicContact CD1-CD2 3.7Å; L28-F30 HydrophobicContact CD1-CE1 4.21Å; L28-F30 HydrophobicContact CD1-CE2 3.11Å; L28-F30 HydrophobicContact CD1-CG 4.46Å; L28-F30 HydrophobicContact CD1-CZ 3.39Å; F30-L32 HydrophobicContact CB-CD2 4.19Å; F30-L32 PolarHBondContact O-N 3.1Å; F30-D36 CarbonylContact O-C 3.54Å; F30-D36 VanDerWaalsContact O-CA 3.31Å; F30-D36 WeakPolarHBondContact O-CA 3.45Å; F30-V37 HydrophobicContact CB-CB 4.22Å; F30-V37 HydrophobicContact CD2-CB 4.11Å; F30-V37 HydrophobicContact CD2-CG1 4.08Å; F30-V37 PolarHBondContact N-O 3.38Å; F30-V37 PolarHBondContact O-N 3.15Å; F30-I39 HydrophobicContact CE2-CD1 3.71Å; F30-I39 HydrophobicContact CE2-CG1 4.17Å; F30-L80 HydrophobicContact CD1-CD2 4.42Å; F30-L80 HydrophobicContact CE1-CD1 3.91Å; F30-L80 HydrophobicContact CE1-CD2 3.41Å; F30-L80 VanDerWaalsContact CE1-CD2 3.41Å; F30-L80 HydrophobicContact CE1-CG 4.29Å; F30-L80 HydrophobicContact CE2-CD2 4.45Å; F30-L80 HydrophobicContact CZ-CD1 3.82Å; F30-L80 HydrophobicContact CZ-CD2 3.44Å; F30-L80 VanDerWaalsContact CZ-CD2 3.44Å; F30-L80 HydrophobicContact CZ-CG 4.27Å
31Q88.5Confident89Confident41 Ų4150 Ų5019%0.19225%0.251CS..EExtended strand (participates in β ladder)trans-78.2120.4169.1-62.8-173.9-27.500107.4K19 R20 T29 D36K19-Q31 VanDerWaalsContact CB-O 3.31Å; K19-Q31 WeakPolarHBondContact CB-O 3.49Å; K19-Q31 HydrophobicContact CD-CB 4.22Å; R20-Q31 HydrophobicContact CB-CB 4.43Å; R20-Q31 PolarHBondContact O-N 2.81Å; T29-Q31 HydrophobicContact CG2-CG 4.21Å; Q31-D36 VanDerWaalsContact CA-OD1 3.31Å; Q31-D36 WeakPolarHBondContact CA-OD1 3.49Å
32L82.3Confident88.9Confident8 Ų853.3 Ų53.34%0.04226%0.263CS..  trans-107.3-169.5174.4-43.1168000109.5L16 F30 S35 V37L16-L32 HydrophobicContact CB-CD1 3.76Å; L16-L32 HydrophobicContact CB-CD2 4.04Å; L16-L32 HydrophobicContact CD1-CD1 4.46Å; L16-L32 HydrophobicContact CD2-CD1 4Å; L16-L32 HydrophobicContact CG-CD1 4.29Å; L16-L32 WeakPolarHBondContact O-CD2 3.29Å; F30-L32 HydrophobicContact CB-CD2 4.19Å; F30-L32 PolarHBondContact O-N 3.1Å; L32-S35 WeakPolarHBondContact CB-O 3.44Å; L32-S35 WeakPolarHBondContact CD1-O 3.23Å; L32-S35 VanDerWaalsContact CG-O 3.25Å; L32-S35 WeakPolarHBondContact CG-O 3.43Å; L32-S35 PolarHBondContact N-O 3.26Å; L32-V37 HydrophobicContact CD1-CG2 3.7Å
33R75.7Confident88.9Confident209 Ų20952.1 Ų52.179%0.78926%0.257SS*.SBendtrans-73.9-43.8177.7-69.7-176.5179.3177.1-1.7111.8
34D75.7Confident88.9Confident162 Ų16252 Ų5287%0.86626%0.257SS*.SBendtrans-111.8-22.5-169.5-51.4-42.7000113.5
35S79.4Confident89.1Confident69 Ų6952 Ų5248%0.48325%0.253SS..  trans-154.9153.6179.954.30000111.9L32L32-S35 WeakPolarHBondContact CB-O 3.44Å; L32-S35 WeakPolarHBondContact CD1-O 3.23Å; L32-S35 VanDerWaalsContact CG-O 3.25Å; L32-S35 WeakPolarHBondContact CG-O 3.43Å; L32-S35 PolarHBondContact N-O 3.26Å
36D86.3Confident89.2Confident89 Ų8945.4 Ų45.448%0.47623%0.225SC..EExtended strand (participates in β ladder)trans-94.7134.2173.6-73.6-0.1000109.7T29 F30 Q31T29-D36 HydrophobicContact CG2-CB 4.09Å; F30-D36 CarbonylContact O-C 3.54Å; F30-D36 VanDerWaalsContact O-CA 3.31Å; F30-D36 WeakPolarHBondContact O-CA 3.45Å; Q31-D36 VanDerWaalsContact CA-OD1 3.31Å; Q31-D36 WeakPolarHBondContact CA-OD1 3.49Å
37V86.3Confident89.3Confident30 Ų3045.4 Ų45.418%0.18222%0.224CC..EExtended strand (participates in β ladder)trans-102.7121.5172.8176.20000108.7L16 F30 L32 I39L16-V37 HydrophobicContact CD1-CG2 4.31Å; F30-V37 HydrophobicContact CB-CB 4.22Å; F30-V37 HydrophobicContact CD2-CB 4.11Å; F30-V37 HydrophobicContact CD2-CG1 4.08Å; F30-V37 PolarHBondContact N-O 3.38Å; F30-V37 PolarHBondContact O-N 3.15Å; L32-V37 HydrophobicContact CD1-CG2 3.7Å; V37-I39 HydrophobicContact CG1-CG1 4.43Å
38I89.8Confident89.3Confident105 Ų10546.7 Ų46.754%0.53823%0.227SC..EExtended strand (participates in β ladder)trans-109.3128.3-178.2-58.4174.1000109H27 L28 T29H27-I38 HydrophobicContact CB-CG2 3.73Å; L28-I38 WeakPolarHBondContact O-CA 3.23Å; T29-I38 HydrophobicContact CG2-CG1 4.21Å
39I92Very high89.3Confident8 Ų847.8 Ų47.84%0.04123%0.233CC..EExtended strand (participates in β ladder)trans-121.1119.7173.2-54.6-175.1000108.4H27 L28 F30 V37 A43 I44 L70 T72 Y78H27-I39 CarbonylContact C-O 3.6Å; H27-I39 VanDerWaalsContact CA-O 3.25Å; H27-I39 WeakPolarHBondContact CA-O 3.42Å; H27-I39 WeakPolarHBondContact CB-O 3.22Å; L28-I39 HydrophobicContact CD1-CB 3.73Å; L28-I39 HydrophobicContact CD1-CD1 4.21Å; L28-I39 HydrophobicContact CD1-CG1 4.01Å; L28-I39 HydrophobicContact CD2-CB 4.37Å; L28-I39 HydrophobicContact CG-CB 3.88Å; L28-I39 PolarHBondContact N-O 3.28Å; L28-I39 PolarHBondContact O-N 2.85Å; F30-I39 HydrophobicContact CE2-CD1 3.71Å; F30-I39 HydrophobicContact CE2-CG1 4.17Å; V37-I39 HydrophobicContact CG1-CG1 4.43Å; I39-A43 HydrophobicContact CG2-CB 4.13Å; I39-I44 HydrophobicContact CG2-CG1 4.19Å; I39-L70 HydrophobicContact CD1-CD2 3.78Å; I39-T72 HydrophobicContact CD1-CG2 4.44Å; I39-T72 HydrophobicContact CG2-CG2 4.07Å; I39-Y78 HydrophobicContact CD1-CD1 4.48Å; I39-Y78 HydrophobicContact CD1-CD2 3.78Å; I39-Y78 HydrophobicContact CD1-CE1 4.3Å; I39-Y78 HydrophobicContact CD1-CE2 3.56Å; I39-Y78 HydrophobicContact CD1-CG 4.24Å
40M92.7Very high89.2Confident20 Ų2047 Ų4710%0.09923%0.228CC..EExtended strand (participates in β ladder)trans-63.1141.1171.7-72-176.7-100.100110.2R42 A43 Y108 F600 E602M40-R42 PolarHBondContact O-N 2.92Å; M40-A43 HydrophobicContact CB-CB 4.23Å; M40-A43 VanDerWaalsContact O-CB 3.27Å; M40-A43 WeakPolarHBondContact O-CB 3.46Å; M40-A43 PolarHBondContact O-N 3.38Å; M40-Y108 HydrophobicContact CG-CD1 4.33Å; M40-Y108 HydrophobicContact SD-CD1 3.79Å; M40-Y108 HydrophobicContact SD-CE1 4.28Å; M40-F600 HydrophobicContact CE-CD2 3.6Å; M40-F600 HydrophobicContact CE-CE2 4.1Å; M40-E602 HydrophobicContact SD-CG 4.38Å
41Y93.7Very high88.9Confident14 Ų1451.8 Ų51.86%0.05525%0.25CS..G310 helixtrans-56.1-37.3176.2-62.5-28.7000112.1F23 G24 Q25 H26 H27 L28 A43 I44 V98F23-Y41 WeakPolarHBondContact CA-OH 3.49Å; F23-Y41 HydrophobicContact CD1-CE1 4.08Å; G24-Y41 PolarHBondContact N-OH 2.76Å; G24-Y41 PolarHBondContact O-OH 3.48Å; Q25-Y41 WeakPolarHBondContact O-CE2 3.17Å; H26-Y41 PolarHBondContact O-N 3.22Å; H27-Y41 PolarHBondContact O-OH 3.18Å; L28-Y41 HydrophobicContact CB-CE1 4.14Å; Y41-A43 PolarHBondContact O-N 3.49Å; Y41-I44 WeakPolarHBondContact O-CB 3.35Å; Y41-I44 PolarHBondContact O-N 3.22Å; Y41-I44 VanDerWaalsContact O-N 3.15Å; Y41-V98 HydrophobicContact CD1-CB 3.9Å; Y41-V98 HydrophobicContact CD1-CG2 3.61Å; Y41-V98 HydrophobicContact CD2-CB 3.74Å; Y41-V98 HydrophobicContact CD2-CG1 4.22Å; Y41-V98 HydrophobicContact CD2-CG2 4.38Å; Y41-V98 HydrophobicContact CE1-CB 4.04Å; Y41-V98 HydrophobicContact CE1-CG1 4.23Å; Y41-V98 HydrophobicContact CE1-CG2 3.81Å; Y41-V98 HydrophobicContact CE2-CB 3.9Å; Y41-V98 HydrophobicContact CE2-CG1 3.85Å; Y41-V98 HydrophobicContact CG-CB 3.75Å; Y41-V98 HydrophobicContact CG-CG2 3.92Å
42R92.6Very high88.7Confident71 Ų7151.3 Ų51.327%0.26825%0.252SS..G310 helixtrans-67.1-21.6177.4-17060.6176-158-1.8114M40 I44 K73 F600M40-R42 PolarHBondContact O-N 2.92Å; R42-I44 VanDerWaalsContact C-N 3.29Å; R42-K73 VanDerWaalsContact O-CD 3.29Å; R42-K73 WeakPolarHBondContact O-CD 3.37Å; R42-K73 WeakPolarHBondContact O-CE 3.4Å; R42-K73 PolarHBondContact O-NZ 2.88Å; R42-F600 HydrophobicContact CB-CB 4.08Å; R42-F600 HydrophobicContact CG-CB 3.9Å
43A94.3Very high88.7Confident4 Ų453.9 Ų53.93%0.03327%0.269CS..G310 helixtrans-76-20.3176.300000112I39 M40 Y41 D45 T72 K73 F600I39-A43 HydrophobicContact CG2-CB 4.13Å; M40-A43 HydrophobicContact CB-CB 4.23Å; M40-A43 VanDerWaalsContact O-CB 3.27Å; M40-A43 WeakPolarHBondContact O-CB 3.46Å; M40-A43 PolarHBondContact O-N 3.38Å; Y41-A43 PolarHBondContact O-N 3.49Å; A43-D45 PolarHBondContact O-N 2.98Å; A43-T72 CarbonylContact O-C 3.52Å; A43-T72 WeakPolarHBondContact O-CA 3.29Å; A43-T72 VanDerWaalsContact O-CB 3.31Å; A43-T72 WeakPolarHBondContact O-CB 3.29Å; A43-K73 PolarHBondContact O-N 2.96Å; A43-F600 HydrophobicContact CB-CB 4.24Å; A43-F600 HydrophobicContact CB-CD1 4.1Å; A43-F600 HydrophobicContact CB-CD2 3.53Å; A43-F600 HydrophobicContact CB-CE1 4.3Å; A43-F600 HydrophobicContact CB-CE2 3.74Å; A43-F600 HydrophobicContact CB-CG 3.69Å; A43-F600 HydrophobicContact CB-CZ 4.11Å
44I94.8Very high89Confident6 Ų650.1 Ų50.13%0.03127%0.269CS..EExtended strand (participates in β ladder)trans-70124.2176.6-56.4172.6000108.6L28 I39 Y41 R42 F47 L70 L95L28-I44 HydrophobicContact CD2-CD1 3.87Å; I39-I44 HydrophobicContact CG2-CG1 4.19Å; Y41-I44 WeakPolarHBondContact O-CB 3.35Å; Y41-I44 PolarHBondContact O-N 3.22Å; Y41-I44 VanDerWaalsContact O-N 3.15Å; R42-I44 VanDerWaalsContact C-N 3.29Å; I44-F47 HydrophobicContact CG2-CD1 4.36Å; I44-L70 HydrophobicContact CB-CD1 4.38Å; I44-L70 HydrophobicContact CD1-CD1 4.21Å; I44-L70 HydrophobicContact CG1-CD1 4.04Å; I44-L70 HydrophobicContact CG2-CD1 3.58Å; I44-L95 HydrophobicContact CD1-CD2 4Å
45D94.9Very high89.3Confident11 Ų1146.6 Ų46.66%0.05925%0.247CC..EExtended strand (participates in β ladder)trans-106.1-25.7178.7-156.738.5000112.2A43 Y71 K73 N551 S552 A553 F554 S555A43-D45 PolarHBondContact O-N 2.98Å; D45-Y71 PolarHBondContact N-O 2.67Å; D45-K73 HydrophobicContact CB-CG 3.72Å; D45-N551 WeakPolarHBondContact OD1-CA 3.15Å; D45-S552 VanDerWaalsContact CG-N 3.34Å; D45-S552 PolarHBondContact OD1-N 3.09Å; D45-S552 WeakPolarHBondContact OD2-CA 3.44Å; D45-S552 WeakPolarHBondContact OD2-CB 3.49Å; D45-S552 PolarHBondContact OD2-N 2.89Å; D45-A553 PolarHBondContact OD2-N 2.99Å; D45-F554 HydrophobicContact CB-CB 4.33Å; D45-F554 WeakPolarHBondContact OD2-CA 3.26Å; D45-F554 PolarHBondContact OD2-N 2.95Å; D45-S555 WeakPolarHBondContact O-CA 3.21Å; D45-S555 PolarHBondContact OD2-N 3.49Å
46G93.4Very high89.6Confident8 Ų844.5 Ų44.58%0.08223%0.229CC..EExtended strand (participates in β ladder)trans-177.4167175.200000111.9Y71G46-Y71 PolarHBondContact N-O 3.34Å; G46-Y71 PolarHBondContact O-N 3.2Å
47F94.2Very high89.5Confident23 Ų2344.2 Ų44.210%0.10122%0.221CC..EExtended strand (participates in β ladder)trans-150.2161.8174.155.4-88.4000110.5I44 I68 V69 L70 E92 L95 E96 I556I44-F47 HydrophobicContact CG2-CD1 4.36Å; F47-I68 HydrophobicContact CB-CG2 4.27Å; F47-V69 CarbonylContact C-O 3.54Å; F47-V69 WeakPolarHBondContact CA-O 3.36Å; F47-V69 WeakPolarHBondContact CB-O 3.41Å; F47-L70 HydrophobicContact CB-CD1 4.09Å; F47-E92 HydrophobicContact CD2-CG 4.34Å; F47-E92 HydrophobicContact CE2-CG 3.8Å; F47-L95 HydrophobicContact CD1-CB 3.97Å; F47-L95 HydrophobicContact CD2-CB 4.37Å; F47-L95 HydrophobicContact CD2-CD1 4.49Å; F47-L95 HydrophobicContact CE1-CB 3.83Å; F47-L95 HydrophobicContact CE2-CB 4.23Å; F47-L95 HydrophobicContact CG-CB 4.25Å; F47-L95 HydrophobicContact CG-CD1 4.32Å; F47-L95 HydrophobicContact CZ-CB 3.96Å; F47-E96 HydrophobicContact CZ-CB 3.84Å; F47-E96 VanDerWaalsContact CZ-OE2 3.22Å; F47-E96 WeakPolarHBondContact CZ-OE2 3.38Å; F47-I556 WeakPolarHBondContact O-CD1 2.94Å
48R92.8Very high89.4Confident82 Ų8244.6 Ų44.631%0.30922%0.22SC..EExtended strand (participates in β ladder)trans-148.1141.9175.163.7-179.2-171.3162.611.6111E55 I68 V69 Y71R48-E55 PolarHBondContact NH2-O 3.45Å; R48-I68 CarbonylContact O-C 3.53Å; R48-I68 WeakPolarHBondContact O-CA 3.46Å; R48-V69 HydrophobicContact CG-CB 3.8Å; R48-V69 HydrophobicContact CG-CG2 4.06Å; R48-V69 PolarHBondContact N-O 3.43Å; R48-V69 PolarHBondContact O-N 2.76Å; R48-Y71 HydrophobicContact CG-CE2 4.11Å; R48-Y71 VanDerWaalsContact CZ-OH 3.29Å; R48-Y71 PolarHBondContact NE-OH 3.07Å
49L93.5Very high89.2Confident24 Ų2439.9 Ų39.913%0.12620%0.196CC..EExtended strand (participates in β ladder)trans-84.5124.3168178.160.4000110.1E51 I68 L85 A88L49-E51 HydrophobicContact CD2-CG 4.23Å; L49-E51 HydrophobicContact CG-CG 4.15Å; L49-I68 HydrophobicContact CD1-CG1 3.95Å; L49-L85 HydrophobicContact CD2-CD1 4.17Å; L49-A88 HydrophobicContact CD1-CB 3.82Å
50C90Very high88.9Confident0 Ų042.4 Ų42.40%021%0.213CC..EExtended strand (participates in β ladder)trans-99.9110.2169.9-70.30000109.1E55 T67C50-E55 WeakPolarHBondContact CA-OE2 3.38Å; C50-E55 HydrophobicContact CB-CB 3.95Å; C50-T67 WeakPolarHBondContact CB-O 3.19Å; C50-T67 PolarHBondContact N-O 3.17Å; C50-T67 PolarHBondContact O-N 2.95Å
51E83.3Confident88.4Confident104 Ų10446.1 Ų46.149%0.48624%0.242SC..  trans-84.4-29.4178.5-62.2-172.817400111.5L49 R89L49-E51 HydrophobicContact CD2-CG 4.23Å; L49-E51 HydrophobicContact CG-CG 4.15Å; E51-R89 IonicContact OE1-CZ 2.93Å; E51-R89 IonicContact OE1-NH2 3.98Å; E51-R89 PolarHBondContact OE1-NH2 3.45Å
52S84.6Confident88Confident31 Ų3153.1 Ų53.122%0.21728%0.278CS..SBendtrans-96.7142.1178.174.30000112.5T54 E55S52-T54 PolarHBondContact O-N 3.31Å; S52-T54 PolarHBondContact OG-OG1 3.33Å; S52-T54 VanDerWaalsContact OG-OG1 3.08Å; S52-E55 PolarHBondContact O-N 2.94Å; S52-E55 WeakPolarHBondContact OG-CG 3.43Å; S52-E55 PolarHBondContact OG-OE1 3.41Å
53P81.9Confident87.6Confident62 Ų6251.2 Ų51.240%0.40327%0.273SS..G310 helixtrans-61.8-22.8172.7-24.434.2000114.4E55 R56P53-E55 VanDerWaalsContact C-N 3.33Å; P53-R56 PolarHBondContact O-N 2.97Å
54T81.9Confident87.3Confident129 Ų12956.4 Ų56.479%0.79130%0.304SS*.G310 helixtrans-75.2-20-178.948.90000113.4S52 R56S52-T54 PolarHBondContact O-N 3.31Å; S52-T54 PolarHBondContact OG-OG1 3.33Å; S52-T54 VanDerWaalsContact OG-OG1 3.08Å; T54-R56 VanDerWaalsContact C-N 3.34Å
55E82.7Confident87Confident89 Ų8956.9 Ų56.942%0.41631%0.311SS..G310 helixtrans-82-13.9176-74.2164-132.600113.8R48 C50 S52 P53R48-E55 PolarHBondContact NH2-O 3.45Å; C50-E55 WeakPolarHBondContact CA-OE2 3.38Å; C50-E55 HydrophobicContact CB-CB 3.95Å; S52-E55 PolarHBondContact O-N 2.94Å; S52-E55 WeakPolarHBondContact OG-CG 3.43Å; S52-E55 PolarHBondContact OG-OE1 3.41Å; P53-E55 VanDerWaalsContact C-N 3.33Å
56R86.2Confident86.9Confident24 Ų2459.7 Ų59.79%0.09132%0.321CS..  trans-76140.8-178.8-54.5179.3-163.4165.33.7110.3P53 T54 L63 G65 T67P53-R56 PolarHBondContact O-N 2.97Å; T54-R56 VanDerWaalsContact C-N 3.34Å; R56-L63 PolarHBondContact NH1-O 3.16Å; R56-G65 PolarHBondContact NH2-O 2.97Å; R56-T67 VanDerWaalsContact CD-OG1 3.32Å; R56-T67 WeakPolarHBondContact CD-OG1 3.44Å; R56-T67 HydrophobicContact CG-CG2 4.48Å; R56-T67 PolarHBondContact NE-OG1 3.14Å
57R83.4Confident87Confident84 Ų8459.3 Ų59.332%0.31732%0.317SS..SBendtrans-100.8-40.4-179.5-65.7-179.1170.7-174.3-4.8112.7E79 Y326R57-E79 WeakPolarHBondContact CA-OE1 3.46Å; R57-E79 WeakPolarHBondContact CB-OE1 3.45Å; R57-E79 PolarHBondContact N-OE1 3.36Å; R57-Y326 PolarHBondContact NH2-OH 3.06Å
58F85.4Confident87Confident37 Ų3758.2 Ų58.216%0.16231%0.313CS..SBendtrans-117.3-33.6-170.4-46.5-45.9000112.4F10 P12 P60 I77 E79F10-F58 HydrophobicContact CB-CB 4.07Å; P12-F58 HydrophobicContact CB-CD1 4.34Å; P12-F58 HydrophobicContact CB-CE1 3.91Å; P12-F58 HydrophobicContact CB-CZ 4.14Å; P12-F58 HydrophobicContact CG-CD1 4.48Å; P12-F58 HydrophobicContact CG-CE1 3.83Å; P12-F58 HydrophobicContact CG-CE2 3.89Å; P12-F58 HydrophobicContact CG-CZ 3.51Å; F58-P60 WeakPolarHBondContact O-CD 3.25Å; F58-I77 HydrophobicContact CE2-CB 3.94Å; F58-I77 HydrophobicContact CE2-CG2 3.74Å; F58-I77 HydrophobicContact CZ-CB 4.42Å; F58-I77 HydrophobicContact CZ-CG2 4.4Å; F58-E79 HydrophobicContact CD2-CG 3.86Å; F58-E79 PolarHBondContact N-OE1 3.44Å; F58-E79 PolarHBondContact N-OE2 3.31Å
59T85.4Confident87Confident6 Ų654.3 Ų54.34%0.03730%0.298CS..SBendtrans-63.7124.3177.6-56.60000109.4F10 S61 L63 E79 T81F10-T59 HydrophobicContact CD2-CG2 4.18Å; F10-T59 WeakPolarHBondContact CD2-OG1 3.36Å; F10-T59 HydrophobicContact CE2-CG2 3.94Å; F10-T59 HydrophobicContact CZ-CG2 4.44Å; T59-S61 PolarHBondContact O-N 3.39Å; T59-L63 HydrophobicContact CG2-CB 4.06Å; T59-L63 HydrophobicContact CG2-CD2 3.64Å; T59-L63 HydrophobicContact CG2-CG 4.45Å; T59-E79 VanDerWaalsContact CB-OE2 3.28Å; T59-E79 WeakPolarHBondContact CB-OE2 3.22Å; T59-E79 PolarHBondContact N-OE2 3.44Å; T59-E79 PolarHBondContact OG1-OE2 3.41Å; T59-T81 WeakPolarHBondContact CG2-OG1 3.25Å; T59-T81 PolarHBondContact OG1-OG1 3.05Å
60P85.3Confident87Confident61 Ų6153.2 Ų53.240%0.39629%0.292SS..  trans-56.7136178.3-26.134.9000111.9F10 F58 I62 L63F10-P60 HydrophobicContact CE1-CG 4.39Å; F58-P60 WeakPolarHBondContact O-CD 3.25Å; P60-I62 HydrophobicContact CB-CG2 3.96Å; P60-I62 PolarHBondContact O-N 2.78Å; P60-I62 VanDerWaalsContact O-N 3.11Å; P60-L63 VanDerWaalsContact O-CB 3.23Å; P60-L63 WeakPolarHBondContact O-CB 3.44Å; P60-L63 PolarHBondContact O-N 2.85Å
61S83.1Confident87.3Confident99 Ų9954.2 Ų54.269%0.69230%0.296SS*.THydrogen-bonded Turntrans-62.3-21.7-178.4-49.60000113.8T59 L63T59-S61 PolarHBondContact O-N 3.39Å; S61-L63 PolarHBondContact O-N 3.04Å
62I84.6Confident87.8Confident160 Ų16049.3 Ų49.382%0.82127%0.273SS*.THydrogen-bonded Turntrans-70-18.7174.7-166.2160.1000112.9P60 T64P60-I62 HydrophobicContact CB-CG2 3.96Å; P60-I62 PolarHBondContact O-N 2.78Å; P60-I62 VanDerWaalsContact O-N 3.11Å; I62-T64 PolarHBondContact O-N 2.87Å
63L84.9Confident88.3Confident32 Ų3248.2 Ų48.217%0.16826%0.264CS..  trans-78.5118.8-176.7-158.265.5000110.7R8 F10 R56 T59 P60 S61 T81R8-L63 VanDerWaalsContact CZ-CD1 3.43Å; F10-L63 HydrophobicContact CE2-CD2 3.6Å; F10-L63 HydrophobicContact CZ-CD2 3.51Å; R56-L63 PolarHBondContact NH1-O 3.16Å; T59-L63 HydrophobicContact CG2-CB 4.06Å; T59-L63 HydrophobicContact CG2-CD2 3.64Å; T59-L63 HydrophobicContact CG2-CG 4.45Å; P60-L63 VanDerWaalsContact O-CB 3.23Å; P60-L63 WeakPolarHBondContact O-CB 3.44Å; P60-L63 PolarHBondContact O-N 2.85Å; S61-L63 PolarHBondContact O-N 3.04Å; L63-T81 HydrophobicContact CD2-CG2 3.92Å; L63-T81 HydrophobicContact CG-CG2 4.46Å
64T86.3Confident88.8Confident112 Ų11247.7 Ų47.769%0.68726%0.258SS*.  trans-76.6153.5171.457.80000110.9R8 I62R8-T64 PolarHBondContact NH2-O 3.47Å; I62-T64 PolarHBondContact O-N 2.87Å
65G89.7Confident89.3Confident16 Ų1642 Ų4217%0.16522%0.223CC..SBendtrans128.9-168.5-179.400000112.6R56 V82R56-G65 PolarHBondContact NH2-O 2.97Å; G65-V82 CarbonylContact C-O 3.59Å; G65-V82 WeakPolarHBondContact CA-O 3.4Å
66Y93.1Very high89.6Confident70 Ų7038.4 Ų38.428%0.27521%0.206SC..EExtended strand (participates in β ladder)trans-120.5139179.1-62.3-91.3000108.6T81 V82 S84 L85 A88Y66-T81 CarbonylContact O-C 3.51Å; Y66-T81 WeakPolarHBondContact O-CA 3.47Å; Y66-V82 PolarHBondContact N-O 3.27Å; Y66-V82 PolarHBondContact O-N 2.7Å; Y66-S84 VanDerWaalsContact CD2-C 3.46Å; Y66-L85 HydrophobicContact CD1-CB 4.37Å; Y66-L85 HydrophobicContact CD1-CD1 3.76Å; Y66-L85 HydrophobicContact CD2-CB 4.13Å; Y66-L85 VanDerWaalsContact CD2-N 3.27Å; Y66-L85 HydrophobicContact CE1-CB 3.94Å; Y66-L85 HydrophobicContact CE1-CD1 3.73Å; Y66-L85 HydrophobicContact CE1-CD2 4.46Å; Y66-L85 HydrophobicContact CE1-CG 4.24Å; Y66-L85 HydrophobicContact CE2-CB 3.7Å; Y66-L85 HydrophobicContact CG-CB 4.45Å; Y66-L85 HydrophobicContact CG-CD1 4.34Å; Y66-A88 HydrophobicContact CG-CB 4.46Å
67T94.1Very high89.9Confident0 Ų037.3 Ų37.30%020%0.202CC..EExtended strand (participates in β ladder)trans-117.2124.7-173.2-58.70000110.1C50 R56 E79 L80 T81C50-T67 WeakPolarHBondContact CB-O 3.19Å; C50-T67 PolarHBondContact N-O 3.17Å; C50-T67 PolarHBondContact O-N 2.95Å; R56-T67 VanDerWaalsContact CD-OG1 3.32Å; R56-T67 WeakPolarHBondContact CD-OG1 3.44Å; R56-T67 HydrophobicContact CG-CG2 4.48Å; R56-T67 PolarHBondContact NE-OG1 3.14Å; T67-E79 HydrophobicContact CG2-CB 3.69Å; T67-E79 HydrophobicContact CG2-CG 4.03Å; T67-L80 CarbonylContact C-O 3.59Å; T67-L80 VanDerWaalsContact CA-O 3.3Å; T67-L80 WeakPolarHBondContact CA-O 3.47Å; T67-T81 PolarHBondContact OG1-OG1 2.81Å
68I94.6Very high90.2Very high1 Ų134.6 Ų34.61%0.00519%0.192CC..EExtended strand (participates in β ladder)trans-96.7120.5168.1-59.5-178.6000107.9F47 R48 L49 L80 A88 L91 L95F47-I68 HydrophobicContact CB-CG2 4.27Å; R48-I68 CarbonylContact O-C 3.53Å; R48-I68 WeakPolarHBondContact O-CA 3.46Å; L49-I68 HydrophobicContact CD1-CG1 3.95Å; I68-L80 HydrophobicContact CB-CB 4.4Å; I68-L80 PolarHBondContact N-O 3.42Å; I68-L80 PolarHBondContact O-N 3.33Å; I68-A88 WeakPolarHBondContact CD1-O 3.49Å; I68-L91 HydrophobicContact CD1-CB 3.76Å; I68-L91 HydrophobicContact CD1-CD2 3.63Å; I68-L91 HydrophobicContact CD1-CG 3.6Å; I68-L95 HydrophobicContact CG2-CD1 3.98Å
69V93.5Very high90.5Very high0 Ų032.9 Ų32.90%018%0.184CC..EExtended strand (participates in β ladder)trans-89.8118.5172.9-167.90000108F47 R48 Y71 I77 Y78 E79F47-V69 CarbonylContact C-O 3.54Å; F47-V69 WeakPolarHBondContact CA-O 3.36Å; F47-V69 WeakPolarHBondContact CB-O 3.41Å; R48-V69 HydrophobicContact CG-CB 3.8Å; R48-V69 HydrophobicContact CG-CG2 4.06Å; R48-V69 PolarHBondContact N-O 3.43Å; R48-V69 PolarHBondContact O-N 2.76Å; V69-Y71 HydrophobicContact CB-CE2 4.17Å; V69-Y71 HydrophobicContact CG1-CD2 4.5Å; V69-Y71 HydrophobicContact CG1-CE1 4.15Å; V69-Y71 HydrophobicContact CG1-CE2 3.83Å; V69-I77 HydrophobicContact CG1-CG2 3.51Å; V69-Y78 CarbonylContact C-O 3.59Å; V69-Y78 WeakPolarHBondContact CA-O 3.26Å; V69-E79 HydrophobicContact CG1-CG 4.25Å; V69-E79 HydrophobicContact CG2-CG 4.09Å
70L94.1Very high90.9Very high0 Ų032.6 Ų32.60%018%0.183CC..EExtended strand (participates in β ladder)trans-101.4128.9176.7-174.569.7000109.3L28 I39 I44 F47 I77 Y78 L95L28-L70 HydrophobicContact CD2-CD2 4.4Å; I39-L70 HydrophobicContact CD1-CD2 3.78Å; I44-L70 HydrophobicContact CB-CD1 4.38Å; I44-L70 HydrophobicContact CD1-CD1 4.21Å; I44-L70 HydrophobicContact CG1-CD1 4.04Å; I44-L70 HydrophobicContact CG2-CD1 3.58Å; F47-L70 HydrophobicContact CB-CD1 4.09Å; L70-I77 WeakPolarHBondContact O-CA 3.33Å; L70-Y78 HydrophobicContact CD2-CD2 4.44Å; L70-Y78 PolarHBondContact N-O 2.95Å; L70-Y78 PolarHBondContact O-N 2.98Å; L70-L95 HydrophobicContact CD1-CD2 4.35Å
71Y94.3Very high91.3Very high21 Ų2129.7 Ų29.78%0.08216%0.164CC..EExtended strand (participates in β ladder)trans-112.4133.8176.4-59.6-87.5000109.8D45 G46 R48 V69 I77 F554D45-Y71 PolarHBondContact N-O 2.67Å; G46-Y71 PolarHBondContact N-O 3.34Å; G46-Y71 PolarHBondContact O-N 3.2Å; R48-Y71 HydrophobicContact CG-CE2 4.11Å; R48-Y71 VanDerWaalsContact CZ-OH 3.29Å; R48-Y71 PolarHBondContact NE-OH 3.07Å; V69-Y71 HydrophobicContact CB-CE2 4.17Å; V69-Y71 HydrophobicContact CG1-CD2 4.5Å; V69-Y71 HydrophobicContact CG1-CE1 4.15Å; V69-Y71 HydrophobicContact CG1-CE2 3.83Å; Y71-I77 HydrophobicContact CD1-CD1 4.2Å; Y71-I77 HydrophobicContact CD1-CG1 3.89Å; Y71-I77 HydrophobicContact CD1-CG2 4.16Å; Y71-I77 HydrophobicContact CE1-CD1 4Å; Y71-I77 HydrophobicContact CE1-CG1 4.13Å; Y71-I77 HydrophobicContact CE1-CG2 3.96Å; Y71-F554 VanDerWaalsContact CB-CB 3.47Å; Y71-F554 HydrophobicContact CD1-CB 4.12Å; Y71-F554 AromaticContact CD1-CD1 3.77Å; Y71-F554 HydrophobicContact CD1-CD1 3.77Å; Y71-F554 AromaticContact CD1-CD2 3.86Å; Y71-F554 HydrophobicContact CD1-CD2 3.86Å; Y71-F554 HydrophobicContact CD1-CE1 4.06Å; Y71-F554 HydrophobicContact CD1-CE2 4.08Å; Y71-F554 AromaticContact CD1-CG 3.67Å; Y71-F554 HydrophobicContact CD1-CG 3.67Å; Y71-F554 HydrophobicContact CD1-CZ 4.19Å; Y71-F554 HydrophobicContact CE1-CD1 4.31Å; Y71-F554 HydrophobicContact CE1-CE1 4.41Å; Y71-F554 HydrophobicContact CG-CB 3.92Å; Y71-F554 HydrophobicContact CG-CD1 4.43Å; Y71-F554 HydrophobicContact CG-CD2 4.23Å; Y71-F554 AromaticContact CG-CG 3.98Å; Y71-F554 HydrophobicContact CG-CG 3.98Å
72T94.2Very high91.8Very high2 Ų225.1 Ų25.11%0.01213%0.132CC..EExtended strand (participates in β ladder)trans-115.2161.6-179.457.70000112.5I39 A43 D74 F75 N76 Y78I39-T72 HydrophobicContact CD1-CG2 4.44Å; I39-T72 HydrophobicContact CG2-CG2 4.07Å; A43-T72 CarbonylContact O-C 3.52Å; A43-T72 WeakPolarHBondContact O-CA 3.29Å; A43-T72 VanDerWaalsContact O-CB 3.31Å; A43-T72 WeakPolarHBondContact O-CB 3.29Å; T72-D74 VanDerWaalsContact C-N 3.28Å; T72-D74 WeakPolarHBondContact CB-OD1 3.38Å; T72-D74 PolarHBondContact O-N 3.19Å; T72-D74 PolarHBondContact OG1-OD1 3.49Å; T72-F75 PolarHBondContact O-N 2.73Å; T72-N76 PolarHBondContact N-O 3.26Å; T72-N76 WeakPolarHBondContact OG1-CA 3.45Å; T72-N76 VanDerWaalsContact OG1-CB 3.3Å; T72-N76 WeakPolarHBondContact OG1-CB 3.45Å; T72-N76 PolarHBondContact OG1-N 2.94Å; T72-N76 PolarHBondContact OG1-O 2.85Å; T72-N76 VanDerWaalsContact OG1-O 3.04Å; T72-Y78 HydrophobicContact CG2-CD2 4.24Å; T72-Y78 HydrophobicContact CG2-CE2 3.87Å
73K95Very high92.1Very high8 Ų822.1 Ų22.14%0.03512%0.117CC..THydrogen-bonded Turntrans-71.5-20.1-174.7-68.3-179.9179.9175.80114.1R42 A43 D45 F75 R550 S552 Y599 F600R42-K73 VanDerWaalsContact O-CD 3.29Å; R42-K73 WeakPolarHBondContact O-CD 3.37Å; R42-K73 WeakPolarHBondContact O-CE 3.4Å; R42-K73 PolarHBondContact O-NZ 2.88Å; A43-K73 PolarHBondContact O-N 2.96Å; D45-K73 HydrophobicContact CB-CG 3.72Å; K73-F75 WeakPolarHBondContact O-CE1 3.4Å; K73-R550 WeakPolarHBondContact CE-O 3.41Å; K73-R550 PolarHBondContact NZ-O 2.94Å; K73-S552 PolarHBondContact O-OG 2.9Å; K73-Y599 HydrophobicContact CB-CD1 4.49Å; K73-Y599 HydrophobicContact CD-CD1 4.14Å; K73-F600 HydrophobicContact CB-CD1 3.74Å; K73-F600 HydrophobicContact CB-CE1 3.86Å; K73-F600 HydrophobicContact CD-CD1 4.33Å
74D92.1Very high92.4Very high51 Ų5122.8 Ų22.827%0.27313%0.125SC..THydrogen-bonded Turntrans-87.418.3168.760.2-7.5000112.6T72 N76 F600T72-D74 VanDerWaalsContact C-N 3.28Å; T72-D74 WeakPolarHBondContact CB-OD1 3.38Å; T72-D74 PolarHBondContact O-N 3.19Å; T72-D74 PolarHBondContact OG1-OD1 3.49Å; D74-N76 PolarHBondContact O-N 2.72Å; D74-N76 PolarHBondContact OD1-ND2 2.89Å; D74-N76 PolarHBondContact OD2-ND2 3.49Å; D74-F600 HydrophobicContact CB-CE1 3.91Å; D74-F600 HydrophobicContact CB-CZ 3.74Å
75F92.6Very high92.7Very high10 Ų1020.5 Ų20.54%0.04411%0.108CC..SBendtrans68.212.5172.5-37.1-59.8000115.7T72 K73 F321 I325 S552 A553 F554 L680 Y681T72-F75 PolarHBondContact O-N 2.73Å; K73-F75 WeakPolarHBondContact O-CE1 3.4Å; F75-F321 AromaticContact CE1-CE1 3.92Å; F75-F321 HydrophobicContact CE1-CE1 3.92Å; F75-F321 AromaticContact CE1-CZ 3.93Å; F75-F321 HydrophobicContact CE1-CZ 3.93Å; F75-F321 AromaticContact CZ-CE1 3.99Å; F75-F321 HydrophobicContact CZ-CE1 3.99Å; F75-F321 AromaticContact CZ-CZ 3.59Å; F75-F321 HydrophobicContact CZ-CZ 3.59Å; F75-I325 HydrophobicContact CB-CG2 4.24Å; F75-I325 HydrophobicContact CD1-CB 4.47Å; F75-I325 HydrophobicContact CD1-CD1 3.91Å; F75-I325 HydrophobicContact CD1-CG1 3.99Å; F75-I325 HydrophobicContact CD1-CG2 3.66Å; F75-I325 HydrophobicContact CD2-CD1 4.19Å; F75-I325 HydrophobicContact CE1-CD1 3.88Å; F75-I325 HydrophobicContact CE1-CG1 3.9Å; F75-I325 HydrophobicContact CE1-CG2 4.39Å; F75-I325 HydrophobicContact CE2-CD1 4.18Å; F75-I325 HydrophobicContact CG-CD1 4.07Å; F75-I325 HydrophobicContact CG-CG2 4.12Å; F75-I325 HydrophobicContact CZ-CD1 4.04Å; F75-I325 HydrophobicContact CZ-CG1 4.47Å; F75-S552 WeakPolarHBondContact CE1-OG 3.49Å; F75-A553 HydrophobicContact CD1-CB 4.2Å; F75-A553 HydrophobicContact CE1-CB 3.95Å; F75-F554 HydrophobicContact CB-CE2 4.22Å; F75-L680 WeakPolarHBondContact CD2-O 3.5Å; F75-L680 HydrophobicContact CE2-CD1 4.45Å; F75-L680 HydrophobicContact CE2-CG 4.27Å; F75-Y681 HydrophobicContact CD2-CD1 4.29Å; F75-Y681 AromaticContact CE2-CD1 3.9Å; F75-Y681 HydrophobicContact CE2-CD1 3.9Å; F75-Y681 HydrophobicContact CE2-CE1 4.28Å
76N90.1Very high92.9Very high12 Ų1223.3 Ų23.36%0.06413%0.125CC..  trans-76.5147.1171.2-62.1-54.6000111.4T72 D74 Y78 Q684T72-N76 PolarHBondContact N-O 3.26Å; T72-N76 WeakPolarHBondContact OG1-CA 3.45Å; T72-N76 VanDerWaalsContact OG1-CB 3.3Å; T72-N76 WeakPolarHBondContact OG1-CB 3.45Å; T72-N76 PolarHBondContact OG1-N 2.94Å; T72-N76 PolarHBondContact OG1-O 2.85Å; T72-N76 VanDerWaalsContact OG1-O 3.04Å; D74-N76 PolarHBondContact O-N 2.72Å; D74-N76 PolarHBondContact OD1-ND2 2.89Å; D74-N76 PolarHBondContact OD2-ND2 3.49Å; N76-Y78 HydrophobicContact CB-CD2 4.46Å; N76-Y78 HydrophobicContact CB-CE2 3.57Å; N76-Q684 HydrophobicContact CB-CG 4.45Å; N76-Q684 VanDerWaalsContact OD1-CB 3.25Å; N76-Q684 WeakPolarHBondContact OD1-CB 3.41Å; N76-Q684 WeakPolarHBondContact OD1-CG 3.42Å
77I91.3Very high92.9Very high2 Ų222.2 Ų22.21%0.0113%0.126CC..EExtended strand (participates in β ladder)trans-125.4123.7178.2-50.9178.1000108.4F58 V69 L70 Y71 F554 Q684F58-I77 HydrophobicContact CE2-CB 3.94Å; F58-I77 HydrophobicContact CE2-CG2 3.74Å; F58-I77 HydrophobicContact CZ-CB 4.42Å; F58-I77 HydrophobicContact CZ-CG2 4.4Å; V69-I77 HydrophobicContact CG1-CG2 3.51Å; L70-I77 WeakPolarHBondContact O-CA 3.33Å; Y71-I77 HydrophobicContact CD1-CD1 4.2Å; Y71-I77 HydrophobicContact CD1-CG1 3.89Å; Y71-I77 HydrophobicContact CD1-CG2 4.16Å; Y71-I77 HydrophobicContact CE1-CD1 4Å; Y71-I77 HydrophobicContact CE1-CG1 4.13Å; Y71-I77 HydrophobicContact CE1-CG2 3.96Å; I77-F554 HydrophobicContact CD1-CE2 4.5Å; I77-F554 HydrophobicContact CD1-CZ 3.96Å; I77-F554 HydrophobicContact CG1-CE2 4.12Å; I77-F554 HydrophobicContact CG1-CZ 4.09Å; I77-Q684 PolarHBondContact O-NE2 2.94Å; I77-Q684 PolarHBondContact O-OE1 2.94Å
78Y90.8Very high92.9Very high27 Ų2722.2 Ų22.211%0.10613%0.126CC..EExtended strand (participates in β ladder)trans-118.2134.4177.9-54.3-94.6000109.7V9 T11 I39 V69 L70 T72 N76V9-Y78 HydrophobicContact CG1-CD1 4.23Å; T11-Y78 HydrophobicContact CG2-CD1 3.82Å; T11-Y78 HydrophobicContact CG2-CE1 4.1Å; I39-Y78 HydrophobicContact CD1-CD1 4.48Å; I39-Y78 HydrophobicContact CD1-CD2 3.78Å; I39-Y78 HydrophobicContact CD1-CE1 4.3Å; I39-Y78 HydrophobicContact CD1-CE2 3.56Å; I39-Y78 HydrophobicContact CD1-CG 4.24Å; V69-Y78 CarbonylContact C-O 3.59Å; V69-Y78 WeakPolarHBondContact CA-O 3.26Å; L70-Y78 HydrophobicContact CD2-CD2 4.44Å; L70-Y78 PolarHBondContact N-O 2.95Å; L70-Y78 PolarHBondContact O-N 2.98Å; T72-Y78 HydrophobicContact CG2-CD2 4.24Å; T72-Y78 HydrophobicContact CG2-CE2 3.87Å; N76-Y78 HydrophobicContact CB-CD2 4.46Å; N76-Y78 HydrophobicContact CB-CE2 3.57Å
79E92.4Very high92.9Very high0 Ų026.9 Ų26.90%014%0.143CC..EExtended strand (participates in β ladder)trans-107.2113.9172.4-73.4-168.4171.500110V9 F10 R57 F58 T59 T67 V69V9-E79 CarbonylContact C-O 3.53Å; V9-E79 WeakPolarHBondContact CA-O 3.28Å; F10-E79 HydrophobicContact CB-CB 4.13Å; F10-E79 PolarHBondContact N-O 3.34Å; F10-E79 PolarHBondContact O-N 3.1Å; R57-E79 WeakPolarHBondContact CA-OE1 3.46Å; R57-E79 WeakPolarHBondContact CB-OE1 3.45Å; R57-E79 PolarHBondContact N-OE1 3.36Å; F58-E79 HydrophobicContact CD2-CG 3.86Å; F58-E79 PolarHBondContact N-OE1 3.44Å; F58-E79 PolarHBondContact N-OE2 3.31Å; T59-E79 VanDerWaalsContact CB-OE2 3.28Å; T59-E79 WeakPolarHBondContact CB-OE2 3.22Å; T59-E79 PolarHBondContact N-OE2 3.44Å; T59-E79 PolarHBondContact OG1-OE2 3.41Å; T67-E79 HydrophobicContact CG2-CB 3.69Å; T67-E79 HydrophobicContact CG2-CG 4.03Å; V69-E79 HydrophobicContact CG1-CG 4.25Å; V69-E79 HydrophobicContact CG2-CG 4.09Å
80L93.1Very high93Very high1 Ų129.3 Ų29.31%0.00516%0.16CC..EExtended strand (participates in β ladder)trans-100.8105.5-177.7-47.7-177000108.9V7 R8 V9 F30 T67 I68 L91V7-L80 HydrophobicContact CG1-CB 4.12Å; R8-L80 CarbonylContact O-C 3.57Å; R8-L80 WeakPolarHBondContact O-CA 3.18Å; V9-L80 HydrophobicContact CB-CD2 4.27Å; V9-L80 HydrophobicContact CG1-CD2 3.85Å; V9-L80 HydrophobicContact CG2-CD2 3.83Å; F30-L80 HydrophobicContact CD1-CD2 4.42Å; F30-L80 HydrophobicContact CE1-CD1 3.91Å; F30-L80 HydrophobicContact CE1-CD2 3.41Å; F30-L80 VanDerWaalsContact CE1-CD2 3.41Å; F30-L80 HydrophobicContact CE1-CG 4.29Å; F30-L80 HydrophobicContact CE2-CD2 4.45Å; F30-L80 HydrophobicContact CZ-CD1 3.82Å; F30-L80 HydrophobicContact CZ-CD2 3.44Å; F30-L80 VanDerWaalsContact CZ-CD2 3.44Å; F30-L80 HydrophobicContact CZ-CG 4.27Å; T67-L80 CarbonylContact C-O 3.59Å; T67-L80 VanDerWaalsContact CA-O 3.3Å; T67-L80 WeakPolarHBondContact CA-O 3.47Å; I68-L80 HydrophobicContact CB-CB 4.4Å; I68-L80 PolarHBondContact N-O 3.42Å; I68-L80 PolarHBondContact O-N 3.33Å; L80-L91 HydrophobicContact CD1-CD2 4.39Å
81T92.8Very high93Very high0 Ų029.3 Ų29.30%016%0.16CC..EExtended strand (participates in β ladder)trans-99.2126-179.4-59.40000111.3R8 T59 L63 Y66 T67R8-T81 PolarHBondContact N-O 3.18Å; R8-T81 PolarHBondContact O-N 2.94Å; T59-T81 WeakPolarHBondContact CG2-OG1 3.25Å; T59-T81 PolarHBondContact OG1-OG1 3.05Å; L63-T81 HydrophobicContact CD2-CG2 3.92Å; L63-T81 HydrophobicContact CG-CG2 4.46Å; Y66-T81 CarbonylContact O-C 3.51Å; Y66-T81 WeakPolarHBondContact O-CA 3.47Å; T67-T81 PolarHBondContact OG1-OG1 2.81Å
82V93.4Very high93Very high3 Ų330.5 Ų30.52%0.01817%0.167CC..EExtended strand (participates in β ladder)trans-123.4155.9178.8-610000111.1V7 G65 Y66 V87 A88V7-V82 HydrophobicContact CB-CG1 4.49Å; V7-V82 HydrophobicContact CG1-CG1 4.28Å; V7-V82 HydrophobicContact CG2-CG1 3.99Å; G65-V82 CarbonylContact C-O 3.59Å; G65-V82 WeakPolarHBondContact CA-O 3.4Å; Y66-V82 PolarHBondContact N-O 3.27Å; Y66-V82 PolarHBondContact O-N 2.7Å; V82-V87 HydrophobicContact CB-CG1 3.99Å; V82-V87 HydrophobicContact CG1-CG1 4.05Å; V82-V87 HydrophobicContact CG2-CB 4.43Å; V82-V87 HydrophobicContact CG2-CG1 4.19Å; V82-A88 HydrophobicContact CG2-CB 3.66Å
83N91Very high93Very high96 Ų9637 Ų3751%0.51320%0.196SC..SBendtrans-81.7-19.3-170.5-63.3-25.2000114.4R8R8-N83 PolarHBondContact NH2-OD1 3.45Å; R8-N83 VanDerWaalsContact NH2-OD1 3.1Å
84S91.5Very high92.9Very high47 Ų4738.3 Ų38.333%0.32920%0.204SC..  trans-128.1143.5-175.2178.60000112.3Y66 S86 V87 A88Y66-S84 VanDerWaalsContact CD2-C 3.46Å; S84-S86 VanDerWaalsContact C-N 3.28Å; S84-S86 PolarHBondContact O-N 2.65Å; S84-S86 PolarHBondContact OG-N 3.08Å; S84-S86 PolarHBondContact OG-OG 3.01Å; S84-V87 PolarHBondContact O-N 2.98Å; S84-A88 PolarHBondContact O-N 3.39Å
85L92.8Very high93Very high63 Ų6335.9 Ų35.933%0.3319%0.191SC..Hα-helixtrans-62.5-37.3173.6-177.457.7000111.4L49 Y66 V87 A88 R89L49-L85 HydrophobicContact CD2-CD1 4.17Å; Y66-L85 HydrophobicContact CD1-CB 4.37Å; Y66-L85 HydrophobicContact CD1-CD1 3.76Å; Y66-L85 HydrophobicContact CD2-CB 4.13Å; Y66-L85 VanDerWaalsContact CD2-N 3.27Å; Y66-L85 HydrophobicContact CE1-CB 3.94Å; Y66-L85 HydrophobicContact CE1-CD1 3.73Å; Y66-L85 HydrophobicContact CE1-CD2 4.46Å; Y66-L85 HydrophobicContact CE1-CG 4.24Å; Y66-L85 HydrophobicContact CE2-CB 3.7Å; Y66-L85 HydrophobicContact CG-CB 4.45Å; Y66-L85 HydrophobicContact CG-CD1 4.34Å; L85-V87 VanDerWaalsContact C-N 3.32Å; L85-V87 PolarHBondContact O-N 3.15Å; L85-A88 WeakPolarHBondContact O-CB 3.43Å; L85-A88 PolarHBondContact O-N 2.73Å; L85-R89 HydrophobicContact CD1-CG 4.06Å; L85-R89 HydrophobicContact CG-CG 4.26Å; L85-R89 VanDerWaalsContact O-CG 3.32Å; L85-R89 WeakPolarHBondContact O-CG 3.41Å; L85-R89 PolarHBondContact O-N 3.09Å
86S94.1Very high93Very high76 Ų7640 Ų4053%0.53121%0.21SC..Hα-helixtrans-59.8-45.5178.659.40000111.2S84 R89 S90S84-S86 VanDerWaalsContact C-N 3.28Å; S84-S86 PolarHBondContact O-N 2.65Å; S84-S86 PolarHBondContact OG-N 3.08Å; S84-S86 PolarHBondContact OG-OG 3.01Å; S86-R89 PolarHBondContact O-N 3.33Å; S86-S90 PolarHBondContact O-N 3.39Å; S86-S90 PolarHBondContact O-OG 3.35Å
87V93.7Very high93Very high46 Ų4642.4 Ų42.428%0.27923%0.232SC..Hα-helixtrans-63.5-43.9176173.50000110.8F4 V82 S84 L85 R89 S90 L91F4-V87 HydrophobicContact CD1-CG1 3.69Å; F4-V87 HydrophobicContact CE1-CG1 4.18Å; V82-V87 HydrophobicContact CB-CG1 3.99Å; V82-V87 HydrophobicContact CG1-CG1 4.05Å; V82-V87 HydrophobicContact CG2-CB 4.43Å; V82-V87 HydrophobicContact CG2-CG1 4.19Å; S84-V87 PolarHBondContact O-N 2.98Å; L85-V87 VanDerWaalsContact C-N 3.32Å; L85-V87 PolarHBondContact O-N 3.15Å; V87-R89 VanDerWaalsContact C-N 3.34Å; V87-R89 PolarHBondContact O-N 3.1Å; V87-S90 PolarHBondContact O-N 2.87Å; V87-L91 VanDerWaalsContact O-CB 3.31Å; V87-L91 WeakPolarHBondContact O-CB 3.49Å; V87-L91 PolarHBondContact O-N 3.4Å
88A94Very high93Very high0 Ų043.4 Ų43.40%024%0.238CC..Hα-helixtrans-59.8-43.7177.500000111.9L49 Y66 I68 V82 S84 L85 L91 E92L49-A88 HydrophobicContact CD1-CB 3.82Å; Y66-A88 HydrophobicContact CG-CB 4.46Å; I68-A88 WeakPolarHBondContact CD1-O 3.49Å; V82-A88 HydrophobicContact CG2-CB 3.66Å; S84-A88 PolarHBondContact O-N 3.39Å; L85-A88 WeakPolarHBondContact O-CB 3.43Å; L85-A88 PolarHBondContact O-N 2.73Å; A88-L91 PolarHBondContact O-N 3.2Å; A88-E92 WeakPolarHBondContact O-CB 3.28Å; A88-E92 PolarHBondContact O-N 2.96Å
89R95.1Very high92.8Very high100 Ų10044.2 Ų44.238%0.37725%0.248SC..Hα-helixtrans-68.9-39.3177.7-67.1-62.8-175.1165.11.7112.7E51 L85 S86 V87 L91 E92 Q93E51-R89 IonicContact OE1-CZ 2.93Å; E51-R89 IonicContact OE1-NH2 3.98Å; E51-R89 PolarHBondContact OE1-NH2 3.45Å; L85-R89 HydrophobicContact CD1-CG 4.06Å; L85-R89 HydrophobicContact CG-CG 4.26Å; L85-R89 VanDerWaalsContact O-CG 3.32Å; L85-R89 WeakPolarHBondContact O-CG 3.41Å; L85-R89 PolarHBondContact O-N 3.09Å; S86-R89 PolarHBondContact O-N 3.33Å; V87-R89 VanDerWaalsContact C-N 3.34Å; V87-R89 PolarHBondContact O-N 3.1Å; R89-L91 VanDerWaalsContact C-N 3.32Å; R89-E92 WeakPolarHBondContact CD-OE2 3.35Å; R89-E92 IonicContact CZ-OE2 3.33Å; R89-E92 IonicContact NE-OE2 2.7Å; R89-E92 IonicContact NH1-OE2 2.91Å; R89-E92 PolarHBondContact NH1-OE2 2.86Å; R89-E92 PolarHBondContact O-N 2.93Å; R89-Q93 WeakPolarHBondContact O-CG 3.31Å; R89-Q93 PolarHBondContact O-N 3.24Å
90S94.8Very high92.4Very high51 Ų5146.4 Ų46.436%0.35726%0.263SS..Hα-helixtrans-63.5-39.5172.7-63.90000112S86 V87 Q93 L94S86-S90 PolarHBondContact O-N 3.39Å; S86-S90 PolarHBondContact O-OG 3.35Å; V87-S90 PolarHBondContact O-N 2.87Å; S90-Q93 PolarHBondContact O-N 2.91Å; S90-L94 WeakPolarHBondContact O-CG 3.43Å; S90-L94 PolarHBondContact O-N 3.15Å; S90-L94 VanDerWaalsContact O-N 3.11Å
91L94.3Very high92.1Very high0 Ų048.7 Ų48.70%028%0.275CS..Hα-helixtrans-66.5-42.8176.6-179.857000111.4F4 L21 F23 I68 L80 V87 A88 R89 Q93 L94 L95F4-L91 HydrophobicContact CD2-CD1 4.12Å; F4-L91 HydrophobicContact CE2-CB 4.5Å; F4-L91 HydrophobicContact CE2-CD1 3.92Å; F4-L91 HydrophobicContact CZ-CB 4.31Å; L21-L91 HydrophobicContact CD2-CD1 3.58Å; L21-L91 HydrophobicContact CD2-CD2 4.04Å; F23-L91 HydrophobicContact CE2-CD1 3.54Å; F23-L91 HydrophobicContact CZ-CD1 3.46Å; F23-L91 VanDerWaalsContact CZ-CD1 3.46Å; I68-L91 HydrophobicContact CD1-CB 3.76Å; I68-L91 HydrophobicContact CD1-CD2 3.63Å; I68-L91 HydrophobicContact CD1-CG 3.6Å; L80-L91 HydrophobicContact CD1-CD2 4.39Å; V87-L91 VanDerWaalsContact O-CB 3.31Å; V87-L91 WeakPolarHBondContact O-CB 3.49Å; V87-L91 PolarHBondContact O-N 3.4Å; A88-L91 PolarHBondContact O-N 3.2Å; R89-L91 VanDerWaalsContact C-N 3.32Å; L91-Q93 PolarHBondContact O-N 3.33Å; L91-L94 PolarHBondContact O-N 3.26Å; L91-L95 HydrophobicContact CD1-CD1 4.28Å; L91-L95 HydrophobicContact CD1-CG 4.27Å; L91-L95 HydrophobicContact CG-CD1 4.09Å; L91-L95 WeakPolarHBondContact O-CB 3.16Å; L91-L95 VanDerWaalsContact O-CG 3.28Å; L91-L95 WeakPolarHBondContact O-CG 3.46Å; L91-L95 PolarHBondContact O-N 3.41Å
92E93.9Very high91.6Very high46 Ų4655.8 Ų55.822%0.21531%0.313CS..Hα-helixtrans-56.7-47.3173.4-173.5178.2-131.600111.8F47 A88 R89 L94 L95 E96F47-E92 HydrophobicContact CD2-CG 4.34Å; F47-E92 HydrophobicContact CE2-CG 3.8Å; A88-E92 WeakPolarHBondContact O-CB 3.28Å; A88-E92 PolarHBondContact O-N 2.96Å; R89-E92 WeakPolarHBondContact CD-OE2 3.35Å; R89-E92 IonicContact CZ-OE2 3.33Å; R89-E92 IonicContact NE-OE2 2.7Å; R89-E92 IonicContact NH1-OE2 2.91Å; R89-E92 PolarHBondContact NH1-OE2 2.86Å; R89-E92 PolarHBondContact O-N 2.93Å; E92-L94 PolarHBondContact O-N 3.46Å; E92-L95 PolarHBondContact O-N 3.34Å; E92-E96 PolarHBondContact O-N 2.91Å
93Q93.6Very high91.3Very high137 Ų13759.4 Ų59.464%0.6433%0.332SS*.Hα-helixtrans-61.7-42178-73.8173.7-5.800112.8R89 S90 L91 A97R89-Q93 WeakPolarHBondContact O-CG 3.31Å; R89-Q93 PolarHBondContact O-N 3.24Å; S90-Q93 PolarHBondContact O-N 2.91Å; L91-Q93 PolarHBondContact O-N 3.33Å; Q93-A97 PolarHBondContact O-N 3.26Å; Q93-A97 VanDerWaalsContact O-N 3.1Å
94L93.8Very high91.2Very high36 Ų3656.4 Ų56.419%0.18832%0.317CS..Hα-helixtrans-68.6-40.2176.8-73.1172.7000111.9H2 F4 F23 S90 L91 E92 E96 A97 V98H2-L94 HydrophobicContact CB-CD1 3.76Å; F4-L94 HydrophobicContact CE2-CD1 3.53Å; F4-L94 HydrophobicContact CZ-CD1 3.54Å; F23-L94 HydrophobicContact CD1-CB 4.42Å; F23-L94 HydrophobicContact CD2-CD1 4.4Å; F23-L94 HydrophobicContact CE1-CB 3.87Å; F23-L94 HydrophobicContact CE2-CD1 4.32Å; F23-L94 HydrophobicContact CZ-CB 3.98Å; S90-L94 WeakPolarHBondContact O-CG 3.43Å; S90-L94 PolarHBondContact O-N 3.15Å; S90-L94 VanDerWaalsContact O-N 3.11Å; L91-L94 PolarHBondContact O-N 3.26Å; E92-L94 PolarHBondContact O-N 3.46Å; L94-E96 VanDerWaalsContact C-N 3.34Å; L94-A97 PolarHBondContact O-N 3.48Å; L94-V98 WeakPolarHBondContact O-CG1 3.17Å; L94-V98 WeakPolarHBondContact O-CG2 3.29Å; L94-V98 PolarHBondContact O-N 3.29Å
95L94.2Very high91.1Very high1 Ų157.2 Ų57.21%0.00532%0.32CS..Hα-helixtrans-61.8-41.6175.9-73.4170.6000111.7F23 L28 I44 F47 I68 L70 L91 E92 V98 S99F23-L95 HydrophobicContact CE1-CD2 4.31Å; F23-L95 HydrophobicContact CZ-CD2 4.2Å; F23-L95 HydrophobicContact CZ-CG 4.37Å; L28-L95 HydrophobicContact CD2-CD2 4.15Å; I44-L95 HydrophobicContact CD1-CD2 4Å; F47-L95 HydrophobicContact CD1-CB 3.97Å; F47-L95 HydrophobicContact CD2-CB 4.37Å; F47-L95 HydrophobicContact CD2-CD1 4.49Å; F47-L95 HydrophobicContact CE1-CB 3.83Å; F47-L95 HydrophobicContact CE2-CB 4.23Å; F47-L95 HydrophobicContact CG-CB 4.25Å; F47-L95 HydrophobicContact CG-CD1 4.32Å; F47-L95 HydrophobicContact CZ-CB 3.96Å; I68-L95 HydrophobicContact CG2-CD1 3.98Å; L70-L95 HydrophobicContact CD1-CD2 4.35Å; L91-L95 HydrophobicContact CD1-CD1 4.28Å; L91-L95 HydrophobicContact CD1-CG 4.27Å; L91-L95 HydrophobicContact CG-CD1 4.09Å; L91-L95 WeakPolarHBondContact O-CB 3.16Å; L91-L95 VanDerWaalsContact O-CG 3.28Å; L91-L95 WeakPolarHBondContact O-CG 3.46Å; L91-L95 PolarHBondContact O-N 3.41Å; E92-L95 PolarHBondContact O-N 3.34Å; L95-V98 PolarHBondContact O-N 2.9Å; L95-S99 VanDerWaalsContact O-CB 3.27Å; L95-S99 WeakPolarHBondContact O-CB 3.06Å; L95-S99 PolarHBondContact O-N 2.88Å; L95-S99 PolarHBondContact O-OG 2.87Å
96E92.5Very high91.1Very high95 Ų9559 Ų5944%0.44433%0.33SS..Hα-helixtrans-60.4-45.9173.7-171.764-15100110.8F47 E92 L94 V98 S100F47-E96 HydrophobicContact CZ-CB 3.84Å; F47-E96 VanDerWaalsContact CZ-OE2 3.22Å; F47-E96 WeakPolarHBondContact CZ-OE2 3.38Å; E92-E96 PolarHBondContact O-N 2.91Å; L94-E96 VanDerWaalsContact C-N 3.34Å; E96-V98 PolarHBondContact O-N 3.04Å; E96-S100 WeakPolarHBondContact O-CB 3.47Å; E96-S100 PolarHBondContact O-N 2.87Å; E96-S100 PolarHBondContact O-OG 3.09Å
97A90.6Very high91Very high63 Ų6356 Ų5652%0.52131%0.308SS..Hα-helixtrans-64.3-38.4-178.900000113.4Q93 L94Q93-A97 PolarHBondContact O-N 3.26Å; Q93-A97 VanDerWaalsContact O-N 3.1Å; L94-A97 PolarHBondContact O-N 3.48Å
98V90.4Very high91Very high24 Ų2456.6 Ų56.615%0.14531%0.305CS..Hα-helixtrans-87.3-24.1-176.9-57.70000114F23 Y41 L94 L95 E96 I101F23-V98 HydrophobicContact CD1-CG1 4.25Å; F23-V98 HydrophobicContact CE1-CG2 4.2Å; Y41-V98 HydrophobicContact CD1-CB 3.9Å; Y41-V98 HydrophobicContact CD1-CG2 3.61Å; Y41-V98 HydrophobicContact CD2-CB 3.74Å; Y41-V98 HydrophobicContact CD2-CG1 4.22Å; Y41-V98 HydrophobicContact CD2-CG2 4.38Å; Y41-V98 HydrophobicContact CE1-CB 4.04Å; Y41-V98 HydrophobicContact CE1-CG1 4.23Å; Y41-V98 HydrophobicContact CE1-CG2 3.81Å; Y41-V98 HydrophobicContact CE2-CB 3.9Å; Y41-V98 HydrophobicContact CE2-CG1 3.85Å; Y41-V98 HydrophobicContact CG-CB 3.75Å; Y41-V98 HydrophobicContact CG-CG2 3.92Å; L94-V98 WeakPolarHBondContact O-CG1 3.17Å; L94-V98 WeakPolarHBondContact O-CG2 3.29Å; L94-V98 PolarHBondContact O-N 3.29Å; L95-V98 PolarHBondContact O-N 2.9Å; E96-V98 PolarHBondContact O-N 3.04Å; V98-I101 WeakPolarHBondContact O-CD1 3.45Å
99S87.7Confident90.9Very high43 Ų4356.9 Ų56.930%0.30131%0.307SS..Hα-helixtrans-85.1-12.817961.40000113.8L95L95-S99 VanDerWaalsContact O-CB 3.27Å; L95-S99 WeakPolarHBondContact O-CB 3.06Å; L95-S99 PolarHBondContact O-N 2.88Å; L95-S99 PolarHBondContact O-OG 2.87Å
100S83.5Confident90.8Very high46 Ų4654.1 Ų54.132%0.32230%0.298SS..  trans-101.826.4-175.558.10000114.8E96 D102E96-S100 WeakPolarHBondContact O-CB 3.47Å; E96-S100 PolarHBondContact O-N 2.87Å; E96-S100 PolarHBondContact O-OG 3.09Å; S100-D102 PolarHBondContact O-N 3.05Å; S100-D102 VanDerWaalsContact O-N 3.11Å
101I85.6Confident90.7Very high49 Ų4953.7 Ų53.725%0.25130%0.297SS..  trans-70.6107.7178.7-57.4170.5000110.2V98 L106 L107V98-I101 WeakPolarHBondContact O-CD1 3.45Å; I101-L106 HydrophobicContact CG2-CB 3.97Å; I101-L107 HydrophobicContact CB-CD2 4.4Å; I101-L107 HydrophobicContact CG2-CD2 4.07Å
102D82.5Confident90.5Very high149 Ų14956.1 Ų56.180%0.79731%0.307SS*.  trans-87.7-32178.6-73.2-31.1000113.3S100 V104S100-D102 PolarHBondContact O-N 3.05Å; S100-D102 VanDerWaalsContact O-N 3.11Å; D102-V104 PolarHBondContact O-N 3.5Å
103D88.6Confident90.1Very high79 Ų7962.6 Ų62.642%0.42233%0.334SS..  trans-72.2112178.1-173.6-13.1000110.5T105 L106D103-T105 PolarHBondContact O-N 2.79Å; D103-T105 WeakPolarHBondContact OD1-CB 3.45Å; D103-T105 PolarHBondContact OD1-N 2.83Å; D103-T105 PolarHBondContact OD1-OG1 2.78Å; D103-T105 PolarHBondContact OD2-OG1 2.87Å; D103-L106 HydrophobicContact CB-CB 4.46Å; D103-L106 HydrophobicContact CB-CD1 3.96Å; D103-L106 HydrophobicContact CB-CG 3.98Å; D103-L106 PolarHBondContact O-N 3.19Å; D103-L106 VanDerWaalsContact O-N 3.11Å
104V88.9Confident89.3Confident33 Ų3357.8 Ų57.820%0.232%0.316CS..G310 helixtrans-58.1-32.2-179.7177.10000111.7D102 L106 L107 F110 L617D102-V104 PolarHBondContact O-N 3.5Å; V104-L106 VanDerWaalsContact C-N 3.25Å; V104-L106 PolarHBondContact O-N 3.47Å; V104-L107 HydrophobicContact CB-CD1 4.42Å; V104-L107 HydrophobicContact CG1-CD1 4.18Å; V104-L107 VanDerWaalsContact O-CB 3.3Å; V104-L107 WeakPolarHBondContact O-CB 3.22Å; V104-L107 VanDerWaalsContact O-CG 3.27Å; V104-L107 WeakPolarHBondContact O-CG 3.35Å; V104-L107 PolarHBondContact O-N 2.88Å; V104-F110 HydrophobicContact CG1-CE2 3.99Å; V104-F110 WeakPolarHBondContact O-CD2 3.34Å; V104-F110 WeakPolarHBondContact O-CE2 3.42Å; V104-L617 HydrophobicContact CB-CD1 4.47Å; V104-L617 HydrophobicContact CG1-CD1 3.93Å
105T89.4Confident88.1Confident64 Ų6464.1 Ų64.139%0.39335%0.35SS..G310 helixtrans-72.8-16.9-178.169.30000113.6D103 F110 L617D103-T105 PolarHBondContact O-N 2.79Å; D103-T105 WeakPolarHBondContact OD1-CB 3.45Å; D103-T105 PolarHBondContact OD1-N 2.83Å; D103-T105 PolarHBondContact OD1-OG1 2.78Å; D103-T105 PolarHBondContact OD2-OG1 2.87Å; T105-F110 WeakPolarHBondContact O-CB 3.4Å; T105-L617 HydrophobicContact CG2-CD2 4.22Å
106L91.5Very high86.6Confident102 Ų10269 Ų6953%0.53437%0.373SS..G310 helixtrans-89.7-2.3175.7-59.8-177.9000113H26 I101 D103 V104H26-L106 PolarHBondContact CE1-O 2.84Å; I101-L106 HydrophobicContact CG2-CB 3.97Å; D103-L106 HydrophobicContact CB-CB 4.46Å; D103-L106 HydrophobicContact CB-CD1 3.96Å; D103-L106 HydrophobicContact CB-CG 3.98Å; D103-L106 PolarHBondContact O-N 3.19Å; D103-L106 VanDerWaalsContact O-N 3.11Å; V104-L106 VanDerWaalsContact C-N 3.25Å; V104-L106 PolarHBondContact O-N 3.47Å
107L92.2Very high84.5Confident13 Ų1370 Ų707%0.06839%0.39CS..SBendtrans-72.3153.5179.3-60.3178.6000111.7I101 V104 P109 F110 L607I101-L107 HydrophobicContact CB-CD2 4.4Å; I101-L107 HydrophobicContact CG2-CD2 4.07Å; V104-L107 HydrophobicContact CB-CD1 4.42Å; V104-L107 HydrophobicContact CG1-CD1 4.18Å; V104-L107 VanDerWaalsContact O-CB 3.3Å; V104-L107 WeakPolarHBondContact O-CB 3.22Å; V104-L107 VanDerWaalsContact O-CG 3.27Å; V104-L107 WeakPolarHBondContact O-CG 3.35Å; V104-L107 PolarHBondContact O-N 2.88Å; L107-P109 VanDerWaalsContact C-N 3.32Å; L107-P109 VanDerWaalsContact O-N 3.15Å; L107-F110 PolarHBondContact O-N 2.94Å; L107-F110 VanDerWaalsContact O-N 3.08Å; L107-L607 HydrophobicContact CD1-CD2 4.13Å
108Y93.2Very high82.8Confident57 Ų5770.9 Ų70.922%0.22439%0.392CS..Hα-helixtrans-52.3-37.7-175.2-171.5-144.1000115.3H26 M40 F110 A111 Y112 E602H26-Y108 HydrophobicContact CB-CD2 3.51Å; H26-Y108 HydrophobicContact CB-CE2 4.22Å; H26-Y108 HydrophobicContact CB-CG 3.8Å; H26-Y108 AromaticContact CD2-CD2 3.57Å; H26-Y108 AromaticContact CG-CD2 3.55Å; M40-Y108 HydrophobicContact CG-CD1 4.33Å; M40-Y108 HydrophobicContact SD-CD1 3.79Å; M40-Y108 HydrophobicContact SD-CE1 4.28Å; Y108-F110 PolarHBondContact O-N 3.1Å; Y108-F110 VanDerWaalsContact O-N 3.1Å; Y108-A111 HydrophobicContact CD2-CB 4.47Å; Y108-A111 CarbonylContact O-C 3.48Å; Y108-A111 PolarHBondContact O-N 3.24Å; Y108-Y112 HydrophobicContact CE1-CD2 4.18Å; Y108-Y112 HydrophobicContact CE2-CD2 4.38Å; Y108-Y112 AromaticContact CZ-CD2 3.81Å; Y108-Y112 WeakPolarHBondContact O-CB 3.37Å; Y108-Y112 PolarHBondContact O-N 3.1Å; Y108-E602 HydrophobicContact CD1-CB 4.35Å; Y108-E602 HydrophobicContact CD1-CG 3.82Å; Y108-E602 HydrophobicContact CE1-CB 4.16Å; Y108-E602 HydrophobicContact CE1-CG 3.37Å
109P92.9Very high80.9Confident7 Ų777.9 Ų77.95%0.04543%0.428CS..Hα-helixtrans-55.5-28177.4-30.237.5000116.1L107 S601 E602 L607 T623L107-P109 VanDerWaalsContact C-N 3.32Å; L107-P109 VanDerWaalsContact O-N 3.15Å; P109-S601 WeakPolarHBondContact CD-O 3.44Å; P109-S601 VanDerWaalsContact CG-O 3.25Å; P109-S601 WeakPolarHBondContact CG-O 3.44Å; P109-E602 WeakPolarHBondContact CA-O 3.28Å; P109-L607 HydrophobicContact CB-CD1 3.83Å; P109-L607 HydrophobicContact CG-CD1 4Å; P109-T623 HydrophobicContact CB-CG2 4.24Å
110F93Very high79.2Confident42 Ų4278.4 Ų78.418%0.18443%0.427CS..Hα-helixtrans-80.7-18.7176.7-71.2-85.3000113.3V104 T105 L107 Y108 L607 I619 K622 T623V104-F110 HydrophobicContact CG1-CE2 3.99Å; V104-F110 WeakPolarHBondContact O-CD2 3.34Å; V104-F110 WeakPolarHBondContact O-CE2 3.42Å; T105-F110 WeakPolarHBondContact O-CB 3.4Å; L107-F110 PolarHBondContact O-N 2.94Å; L107-F110 VanDerWaalsContact O-N 3.08Å; Y108-F110 PolarHBondContact O-N 3.1Å; Y108-F110 VanDerWaalsContact O-N 3.1Å; F110-L607 HydrophobicContact CD2-CD1 4.35Å; F110-L607 HydrophobicContact CE2-CD1 3.72Å; F110-L607 HydrophobicContact CZ-CD1 4.36Å; F110-I619 HydrophobicContact CZ-CG1 4.09Å; F110-K622 HydrophobicContact CD1-CB 3.86Å; F110-K622 HydrophobicContact CD1-CD 4.37Å; F110-K622 HydrophobicContact CE1-CB 4.02Å; F110-K622 HydrophobicContact CE1-CD 4.27Å; F110-T623 HydrophobicContact CD1-CG2 3.81Å; F110-T623 HydrophobicContact CD2-CG2 4.4Å; F110-T623 HydrophobicContact CE1-CG2 3.86Å; F110-T623 HydrophobicContact CE2-CG2 4.43Å; F110-T623 HydrophobicContact CG-CG2 4.1Å; F110-T623 HydrophobicContact CZ-CG2 4.19Å
111A92.1Very high77.6Confident42 Ų4282 Ų8235%0.34745%0.45SS..Hα-helixtrans-101.3-14.3175.900000112.8H26 Y108 K113H26-A111 WeakPolarHBondContact NE2-CB 3.49Å; Y108-A111 HydrophobicContact CD2-CB 4.47Å; Y108-A111 CarbonylContact O-C 3.48Å; Y108-A111 PolarHBondContact O-N 3.24Å; A111-K113 PolarHBondContact O-N 3.14Å
112Y91.1Very high76.3Confident50 Ų5083.7 Ų83.720%0.19646%0.462CS..  trans-68.9126-177.1-179.2-110.7000111.1Y108 E602 Y603 I624Y108-Y112 HydrophobicContact CE1-CD2 4.18Å; Y108-Y112 HydrophobicContact CE2-CD2 4.38Å; Y108-Y112 AromaticContact CZ-CD2 3.81Å; Y108-Y112 WeakPolarHBondContact O-CB 3.37Å; Y108-Y112 PolarHBondContact O-N 3.1Å; Y112-E602 WeakPolarHBondContact CB-O 3.39Å; Y112-E602 HydrophobicContact CD1-CB 3.95Å; Y112-E602 VanDerWaalsContact CD1-O 3.3Å; Y112-E602 WeakPolarHBondContact CD1-O 3.34Å; Y112-E602 HydrophobicContact CD2-CB 3.75Å; Y112-E602 HydrophobicContact CD2-CG 4.09Å; Y112-E602 HydrophobicContact CE1-CB 4.07Å; Y112-E602 HydrophobicContact CE2-CB 3.86Å; Y112-E602 HydrophobicContact CE2-CG 4.06Å; Y112-E602 HydrophobicContact CG-CB 3.79Å; Y112-Y603 HydrophobicContact CE1-CD1 4.3Å; Y112-Y603 AromaticContact CE1-CE1 3.81Å; Y112-Y603 HydrophobicContact CE1-CE1 3.81Å; Y112-I624 HydrophobicContact CD1-CD1 3.89Å; Y112-I624 HydrophobicContact CE1-CD1 3.96Å
113K85.5Confident75.2Confident183 Ų18378.6 Ų78.680%0.79643%0.434SS*.  trans-119.1119.5173-62.4-167.7178.3-173.10108.4A111A111-K113 PolarHBondContact O-N 3.14Å
114S76.7Confident73.9Confident35 Ų3581.4 Ų81.425%0.24544%0.443CS..  trans-76.1139.6171.1174.70000110Q116 I624S114-Q116 PolarHBondContact O-N 3.32Å; S114-Q116 PolarHBondContact OG-N 3.21Å; S114-Q116 VanDerWaalsContact OG-N 3.09Å; S114-Q116 PolarHBondContact OG-O 3.25Å; S114-I624 VanDerWaalsContact CB-CD1 3.46Å
115N67.6Low72.3Confident169 Ų16983.7 Ų83.790%0.90446%0.457SS*.SBendtrans-71.2-12.5172.1-68.4-19.6000112.7
116Q62.9Low70.9Confident104 Ų10484.6 Ų84.649%0.48646%0.462SS..  trans-107.797.4-174.9-65.4173.2-20.800109.4S114 S118S114-Q116 PolarHBondContact O-N 3.32Å; S114-Q116 PolarHBondContact OG-N 3.21Å; S114-Q116 VanDerWaalsContact OG-N 3.09Å; S114-Q116 PolarHBondContact OG-O 3.25Å; Q116-S118 PolarHBondContact O-N 3.4Å
117S49.7Very low70.2Confident115 Ų11583.5 Ų83.580%0.80446%0.457SS*.  trans-75.611.3-180-70.20000115.1L119S117-L119 VanDerWaalsContact C-N 3.33Å; S117-L119 PolarHBondContact O-N 3.45Å
118S54Low69.8Low82 Ų8284.7 Ų84.757%0.57346%0.461SS*.  trans-73.891.4173.643.70000109.2Q116 L120Q116-S118 PolarHBondContact O-N 3.4Å; S118-L120 VanDerWaalsContact C-N 3.28Å; S118-L120 PolarHBondContact O-N 3.06Å
119L51.4Low69.4Low171 Ų17183.1 Ų83.190%0.89546%0.457SS*.  trans-57.391.1165.3-68.1165.4000108.3S117S117-L119 VanDerWaalsContact C-N 3.33Å; S117-L119 PolarHBondContact O-N 3.45Å
120L51.1Low69.1Low55 Ų5587.3 Ų87.329%0.28848%0.479SS..PPolyproline II helixtrans-66.1146.4162.1-70.5173.6000108.1S118 V122S118-L120 VanDerWaalsContact C-N 3.28Å; S118-L120 PolarHBondContact O-N 3.06Å; L120-V122 PolarHBondContact O-N 3.19Å
121P50.3Low68.9Low122 Ų12286 Ų8679%0.79247%0.474SS*.PPolyproline II helixtrans-57.7116-177.421.9-30.7000109.7I123P121-I123 PolarHBondContact O-N 3.15Å
122V58.8Low68.9Low84 Ų8484.2 Ų84.251%0.50946%0.459SS..PPolyproline II helixtrans-64.1127.4167.9179.30000106.6L120 K124L120-V122 PolarHBondContact O-N 3.19Å; V122-K124 PolarHBondContact O-N 3.4Å
123I59.2Low69Low41 Ų4185.4 Ų85.421%0.2147%0.468CS..  trans-54.7114.5172.1-60.7171.4000106.9P121P121-I123 PolarHBondContact O-N 3.15Å
124K60.4Low69.2Low139 Ų13979.9 Ų79.960%0.60445%0.446SS*.  trans-77.2150.6178.8-64.2179-178.8174.50108.5V122 T126 D127V122-K124 PolarHBondContact O-N 3.4Å; K124-T126 PolarHBondContact O-N 3.01Å; K124-D127 WeakPolarHBondContact CB-OD2 3.38Å; K124-D127 PolarHBondContact N-OD2 3.34Å; K124-D127 WeakPolarHBondContact O-CB 3.48Å; K124-D127 PolarHBondContact O-N 2.83Å
125T56.1Low70Confident80 Ų8078.4 Ų78.449%0.49144%0.435SS..THydrogen-bonded Turntrans-57.9-20.9174.950.40000113.2
126T58.8Low71.2Confident83 Ų8372.2 Ų72.251%0.50940%0.401SS..THydrogen-bonded Turntrans-87.1-9.1177.8530000114.6K124 W128K124-T126 PolarHBondContact O-N 3.01Å; T126-W128 VanDerWaalsContact C-N 3.28Å; T126-W128 PolarHBondContact O-N 2.81Å
127D76.8Confident72.6Confident79 Ų7972 Ų7242%0.42241%0.412SS..  trans-82.479.7-179.4-59-23.8000108.4K124K124-D127 WeakPolarHBondContact CB-OD2 3.38Å; K124-D127 PolarHBondContact N-OD2 3.34Å; K124-D127 WeakPolarHBondContact O-CB 3.48Å; K124-D127 PolarHBondContact O-N 2.83Å
128W84.1Confident74.5Confident39 Ų3970.9 Ų70.915%0.14840%0.4CS..  trans-61.6143178-64.6108.8000110.6T126 I132 N133 I161T126-W128 VanDerWaalsContact C-N 3.28Å; T126-W128 PolarHBondContact O-N 2.81Å; W128-I132 HydrophobicContact CB-CB 4.13Å; W128-I132 HydrophobicContact CB-CG2 3.82Å; W128-I132 HydrophobicContact CD2-CG2 4.1Å; W128-I132 HydrophobicContact CE3-CG2 4.04Å; W128-I132 HydrophobicContact CG-CG2 4.02Å; W128-N133 PolarHBondContact O-ND2 3.31Å; W128-I161 HydrophobicContact CD2-CD1 3.75Å; W128-I161 HydrophobicContact CE3-CD1 3.84Å; W128-I161 HydrophobicContact CG-CD1 4.35Å; W128-I161 HydrophobicContact CH2-CD1 4.13Å; W128-I161 HydrophobicContact CH2-CG1 4.12Å; W128-I161 HydrophobicContact CZ2-CD1 4.03Å; W128-I161 HydrophobicContact CZ2-CG1 3.99Å; W128-I161 HydrophobicContact CZ3-CD1 4.04Å; W128-I161 HydrophobicContact CZ3-CG1 4.46Å
129P85.5Confident76.1Confident24 Ų2469.3 Ų69.316%0.15640%0.396CS..  trans-55.9154.5173.3-27.436.3000112.9N131 I132 N133 T532 Q536P129-N131 VanDerWaalsContact C-N 3.29Å; P129-N131 WeakPolarHBondContact CB-OD1 3.46Å; P129-N131 PolarHBondContact O-N 3.22Å; P129-I132 HydrophobicContact CB-CG1 4.35Å; P129-I132 HydrophobicContact CG-CG1 4.42Å; P129-I132 WeakPolarHBondContact O-CA 3.49Å; P129-I132 WeakPolarHBondContact O-CB 3.38Å; P129-I132 PolarHBondContact O-N 3.48Å; P129-N133 PolarHBondContact O-N 2.93Å; P129-T532 HydrophobicContact CG-CG2 4.04Å; P129-Q536 HydrophobicContact CG-CG 4.07Å
130N86.8Confident78Confident94 Ų9463.9 Ų63.950%0.50337%0.373SS..Hα-helixtrans-51.7-47-178.7-71.2-21.8000112.5I132 N133 E134 E523N130-I132 PolarHBondContact O-N 3.19Å; N130-N133 PolarHBondContact O-N 3.06Å; N130-N133 VanDerWaalsContact O-N 3.14Å; N130-E134 WeakPolarHBondContact O-CG 3.41Å; N130-E134 PolarHBondContact O-N 3.34Å; N130-E523 PolarHBondContact ND2-OE1 3.38Å
131N87.7Confident80.2Confident16 Ų1662.5 Ų62.59%0.08636%0.364CS..Hα-helixtrans-60.4-29.8178.769.2-75.2000112.8P129 L135 Y188 Y189P129-N131 VanDerWaalsContact C-N 3.29Å; P129-N131 WeakPolarHBondContact CB-OD1 3.46Å; P129-N131 PolarHBondContact O-N 3.22Å; N131-L135 PolarHBondContact O-N 3.07Å; N131-Y188 HydrophobicContact CB-CE2 4.24Å; N131-Y188 WeakPolarHBondContact ND2-CD2 3.4Å; N131-Y189 PolarHBondContact ND2-N 3.28Å; N131-Y189 VanDerWaalsContact O-CD1 3.28Å; N131-Y189 WeakPolarHBondContact O-CD1 3.48Å
132I92.9Very high82.3Confident4 Ų459.8 Ų59.82%0.02134%0.338CS..Hα-helixtrans-80.2-40.4176.4-63.1-57.8000111W128 P129 N130 E134 L135 L136 I161 L186W128-I132 HydrophobicContact CB-CB 4.13Å; W128-I132 HydrophobicContact CB-CG2 3.82Å; W128-I132 HydrophobicContact CD2-CG2 4.1Å; W128-I132 HydrophobicContact CE3-CG2 4.04Å; W128-I132 HydrophobicContact CG-CG2 4.02Å; P129-I132 HydrophobicContact CB-CG1 4.35Å; P129-I132 HydrophobicContact CG-CG1 4.42Å; P129-I132 WeakPolarHBondContact O-CA 3.49Å; P129-I132 WeakPolarHBondContact O-CB 3.38Å; P129-I132 PolarHBondContact O-N 3.48Å; N130-I132 PolarHBondContact O-N 3.19Å; I132-E134 VanDerWaalsContact C-N 3.26Å; I132-E134 PolarHBondContact O-N 3.48Å; I132-L135 WeakPolarHBondContact O-CB 2.97Å; I132-L135 PolarHBondContact O-N 2.94Å; I132-L135 VanDerWaalsContact O-N 3.08Å; I132-L136 HydrophobicContact CG2-CD1 4.34Å; I132-L136 WeakPolarHBondContact O-CG 3.35Å; I132-L136 PolarHBondContact O-N 3.42Å; I132-I161 HydrophobicContact CG2-CD1 3.05Å; I132-L186 HydrophobicContact CD1-CD2 4.01Å; I132-L186 HydrophobicContact CD1-CG 4.32Å
133N92Very high84.1Confident74 Ų7459.7 Ų59.740%0.39633%0.334SS..Hα-helixtrans-59.9-39.1173.1-70.1-38.8000111.7W128 P129 N130 L136 S137W128-N133 PolarHBondContact O-ND2 3.31Å; P129-N133 PolarHBondContact O-N 2.93Å; N130-N133 PolarHBondContact O-N 3.06Å; N130-N133 VanDerWaalsContact O-N 3.14Å; N133-L136 PolarHBondContact O-N 3.34Å; N133-S137 PolarHBondContact O-N 3.24Å
134E90.2Very high85.8Confident68 Ų6857.9 Ų57.932%0.31833%0.325SS..Hα-helixtrans-63.4-38.7172.5-71.3-173.4167.200112.6N130 I132 L136 S137 V138 K191N130-E134 WeakPolarHBondContact O-CG 3.41Å; N130-E134 PolarHBondContact O-N 3.34Å; I132-E134 VanDerWaalsContact C-N 3.26Å; I132-E134 PolarHBondContact O-N 3.48Å; E134-L136 VanDerWaalsContact C-N 3.35Å; E134-S137 PolarHBondContact O-N 2.81Å; E134-S137 PolarHBondContact O-OG 3.29Å; E134-V138 WeakPolarHBondContact O-CG2 3.26Å; E134-V138 PolarHBondContact O-N 3.16Å; E134-K191 IonicContact OE1-NZ 3.43Å; E134-K191 PolarHBondContact OE1-NZ 3.42Å; E134-K191 WeakPolarHBondContact OE2-CD 3.2Å; E134-K191 WeakPolarHBondContact OE2-CE 3.32Å; E134-K191 IonicContact OE2-NZ 3.95Å; E134-K191 PolarHBondContact OE2-NZ 2.96Å
135L92.9Very high87.5Confident3 Ų357.2 Ų57.22%0.01632%0.323CS..Hα-helixtrans-64.1-42.1174.9-177.362.6000111.7N131 I132 S137 V138 W141 L186 Y189N131-L135 PolarHBondContact O-N 3.07Å; I132-L135 WeakPolarHBondContact O-CB 2.97Å; I132-L135 PolarHBondContact O-N 2.94Å; I132-L135 VanDerWaalsContact O-N 3.08Å; L135-S137 VanDerWaalsContact C-N 3.32Å; L135-S137 PolarHBondContact O-N 3.15Å; L135-V138 PolarHBondContact O-N 3.26Å; L135-W141 HydrophobicContact CD1-CG 4.07Å; L135-W141 HydrophobicContact CD2-CB 4.29Å; L135-W141 HydrophobicContact CD2-CD2 3.75Å; L135-W141 HydrophobicContact CD2-CE3 4.28Å; L135-W141 HydrophobicContact CD2-CG 3.73Å; L135-W141 HydrophobicContact CG-CB 4.13Å; L135-W141 HydrophobicContact CG-CD2 4.3Å; L135-W141 HydrophobicContact CG-CG 3.76Å; L135-L186 HydrophobicContact CD2-CD2 3.5Å; L135-Y189 HydrophobicContact CB-CD1 3.84Å; L135-Y189 HydrophobicContact CB-CE1 4.29Å; L135-Y189 HydrophobicContact CB-CG 3.94Å; L135-Y189 HydrophobicContact CD1-CD1 4.21Å; L135-Y189 HydrophobicContact CD1-CD2 3.69Å; L135-Y189 HydrophobicContact CD1-CE1 4.15Å; L135-Y189 HydrophobicContact CD1-CE2 3.62Å; L135-Y189 HydrophobicContact CD1-CG 3.97Å; L135-Y189 HydrophobicContact CD2-CD2 4.33Å; L135-Y189 HydrophobicContact CD2-CG 4.25Å; L135-Y189 HydrophobicContact CG-CD2 4.4Å; L135-Y189 HydrophobicContact CG-CG 4.28Å
136L93.3Very high89.5Confident39 Ų3956 Ų5620%0.20431%0.314CS..Hα-helixtrans-66.5-34.1178.7-69.2171.3000111.8I132 N133 E134 V138 G139 W141 I143 I161I132-L136 HydrophobicContact CG2-CD1 4.34Å; I132-L136 WeakPolarHBondContact O-CG 3.35Å; I132-L136 PolarHBondContact O-N 3.42Å; N133-L136 PolarHBondContact O-N 3.34Å; E134-L136 VanDerWaalsContact C-N 3.35Å; L136-V138 VanDerWaalsContact C-N 3.27Å; L136-V138 PolarHBondContact O-N 3.47Å; L136-G139 PolarHBondContact O-N 2.96Å; L136-G139 VanDerWaalsContact O-N 3.08Å; L136-W141 HydrophobicContact CD2-CB 4.48Å; L136-I143 HydrophobicContact CD1-CD1 4.18Å; L136-I143 HydrophobicContact CD1-CG1 4.17Å; L136-I143 HydrophobicContact CD2-CG1 4.11Å; L136-I161 HydrophobicContact CD1-CD1 4.04Å; L136-I161 HydrophobicContact CD2-CD1 4.29Å; L136-I161 HydrophobicContact CD2-CG1 4.45Å; L136-I161 HydrophobicContact CD2-CG2 4.05Å; L136-I161 HydrophobicContact CG-CD1 4.32Å
137S92.2Very high91.3Very high101 Ų10152 Ų5271%0.70629%0.289SS*.Hα-helixtrans-69.1-23.3178.6750000113.6N133 E134 L135 G139N133-S137 PolarHBondContact O-N 3.24Å; E134-S137 PolarHBondContact O-N 2.81Å; E134-S137 PolarHBondContact O-OG 3.29Å; L135-S137 VanDerWaalsContact C-N 3.32Å; L135-S137 PolarHBondContact O-N 3.15Å; S137-G139 PolarHBondContact O-N 3.15Å
138V88.9Confident92.3Very high90 Ų9053.4 Ų53.455%0.54529%0.293SS..THydrogen-bonded Turntrans-68.4-23.1171.7178.30000111.8E134 L135 L136 S140E134-V138 WeakPolarHBondContact O-CG2 3.26Å; E134-V138 PolarHBondContact O-N 3.16Å; L135-V138 PolarHBondContact O-N 3.26Å; L136-V138 VanDerWaalsContact C-N 3.27Å; L136-V138 PolarHBondContact O-N 3.47Å; V138-S140 VanDerWaalsContact C-N 3.3Å; V138-S140 PolarHBondContact O-N 3.19Å
139G88.4Confident92.9Very high49 Ų4957.5 Ų57.551%0.50532%0.318SS..THydrogen-bonded Turntrans78.72.7175.400000115.8L136 S137L136-G139 PolarHBondContact O-N 2.96Å; L136-G139 VanDerWaalsContact O-N 3.08Å; S137-G139 PolarHBondContact O-N 3.15Å
140S91.6Very high93.4Very high57 Ų5757.1 Ų57.140%0.39931%0.314SS..SBendtrans-84.3-10.9175.754.80000113.7V138 V164V138-S140 VanDerWaalsContact C-N 3.3Å; V138-S140 PolarHBondContact O-N 3.19Å; S140-V164 PolarHBondContact O-N 3.43Å
141W96.4Very high93.9Very high26 Ų2657.6 Ų57.610%0.09832%0.324CS..EExtended strand (participates in β ladder)trans-123.4151.1177.1-6673000110.7L135 L136 I161 V162 P163 L186 T196 I267L135-W141 HydrophobicContact CD1-CG 4.07Å; L135-W141 HydrophobicContact CD2-CB 4.29Å; L135-W141 HydrophobicContact CD2-CD2 3.75Å; L135-W141 HydrophobicContact CD2-CE3 4.28Å; L135-W141 HydrophobicContact CD2-CG 3.73Å; L135-W141 HydrophobicContact CG-CB 4.13Å; L135-W141 HydrophobicContact CG-CD2 4.3Å; L135-W141 HydrophobicContact CG-CG 3.76Å; L136-W141 HydrophobicContact CD2-CB 4.48Å; W141-I161 HydrophobicContact CB-CG2 3.99Å; W141-I161 HydrophobicContact CE3-CG2 3.87Å; W141-V162 CarbonylContact C-O 3.57Å; W141-V162 WeakPolarHBondContact CA-O 3.3Å; W141-P163 HydrophobicContact CD2-CG 4.19Å; W141-P163 HydrophobicContact CE3-CG 3.96Å; W141-P163 VanDerWaalsContact CE3-N 3.34Å; W141-P163 HydrophobicContact CH2-CG 3.79Å; W141-P163 HydrophobicContact CZ2-CG 3.96Å; W141-P163 VanDerWaalsContact CZ3-CD 3.43Å; W141-P163 HydrophobicContact CZ3-CG 3.8Å; W141-L186 HydrophobicContact CE3-CD2 3.96Å; W141-L186 HydrophobicContact CH2-CD1 4.2Å; W141-L186 HydrophobicContact CZ3-CB 4.25Å; W141-L186 HydrophobicContact CZ3-CD1 4.22Å; W141-L186 HydrophobicContact CZ3-CD2 3.9Å; W141-L186 HydrophobicContact CZ3-CG 4.35Å; W141-T196 HydrophobicContact CH2-CG2 3.98Å; W141-T196 HydrophobicContact CZ2-CG2 3.62Å; W141-I267 HydrophobicContact CH2-CG1 4.48Å; W141-I267 HydrophobicContact CH2-CG2 4.24Å
142R95.6Very high94.3Very high65 Ų6558.2 Ų58.225%0.24533%0.327CS..EExtended strand (participates in β ladder)trans-130153.9-179.964.4176179.4103.9-2.4111.5I161 V162 V164 C166 D168R142-I161 WeakPolarHBondContact O-CA 3.38Å; R142-V162 HydrophobicContact CG-CG2 3.88Å; R142-V162 PolarHBondContact N-O 2.92Å; R142-V162 PolarHBondContact O-N 2.88Å; R142-V164 HydrophobicContact CB-CG2 4.09Å; R142-V164 HydrophobicContact CG-CG2 4.39Å; R142-C166 PolarHBondContact NH2-O 2.99Å; R142-D168 IonicContact CZ-OD1 2.76Å; R142-D168 IonicContact NH1-OD1 2.66Å; R142-D168 PolarHBondContact NH1-OD1 3.16Å; R142-D168 VanDerWaalsContact NH1-OD1 3.16Å; R142-D168 IonicContact NH2-OD1 3.46Å; R142-D168 PolarHBondContact NH2-OD1 3.39Å
143I95.6Very high94.5Very high83 Ų8358.1 Ų58.143%0.42633%0.327SS..EExtended strand (participates in β ladder)trans-79.3129.8166.7-56.8172.6000108.1L136 I161L136-I143 HydrophobicContact CD1-CD1 4.18Å; L136-I143 HydrophobicContact CD1-CG1 4.17Å; L136-I143 HydrophobicContact CD2-CG1 4.11Å; I143-I161 HydrophobicContact CG1-CG1 4.36Å
144S96.4Very high94.7Very high3 Ų358.8 Ų58.82%0.02133%0.331CS..EExtended strand (participates in β ladder)trans-110.8141.2173.7-178.20000110.3L146 T159 F160S144-L146 WeakPolarHBondContact OG-CG 3.5Å; S144-L146 PolarHBondContact OG-N 2.81Å; S144-T159 VanDerWaalsContact O-CA 3.28Å; S144-T159 WeakPolarHBondContact O-CA 3.48Å; S144-F160 PolarHBondContact N-O 2.81Å; S144-F160 PolarHBondContact O-N 3.4Å; S144-F160 VanDerWaalsContact O-N 3.08Å
145Q95.9Very high95Very high124 Ų12456.2 Ų56.258%0.57932%0.32SS*.  trans-110.513.2177-58.3-177.9-51.800112N147 E148 T159Q145-N147 PolarHBondContact O-N 2.77Å; Q145-E148 VanDerWaalsContact O-CB 3.29Å; Q145-E148 WeakPolarHBondContact O-CB 3.46Å; Q145-E148 PolarHBondContact O-N 3.46Å; Q145-T159 HydrophobicContact CG-CG2 3.98Å
146L97.2Very high95.2Very high54 Ų5456.1 Ų56.128%0.28332%0.32SS..THydrogen-bonded Turntrans-58.7-19.5-176.2-71.5173.6000114.6S144 L152 F160 D168 I171S144-L146 WeakPolarHBondContact OG-CG 3.5Å; S144-L146 PolarHBondContact OG-N 2.81Å; L146-L152 HydrophobicContact CB-CD1 3.6Å; L146-L152 HydrophobicContact CD1-CD1 4.46Å; L146-F160 HydrophobicContact CB-CE1 4.23Å; L146-F160 HydrophobicContact CB-CZ 4.08Å; L146-F160 HydrophobicContact CD1-CZ 4.41Å; L146-D168 HydrophobicContact CD1-CB 3.59Å; L146-D168 WeakPolarHBondContact CD1-OD1 3.49Å; L146-D168 HydrophobicContact CD2-CB 3.79Å; L146-D168 HydrophobicContact CG-CB 4.18Å; L146-I171 HydrophobicContact CD1-CB 4.09Å; L146-I171 HydrophobicContact CD1-CD1 3.81Å; L146-I171 HydrophobicContact CD1-CG2 4.19Å
147N97.4Very high95.3Very high0 Ų054.9 Ų54.90%031%0.314CS..THydrogen-bonded Turntrans-102.119.4178.4-161.245.4000112.7Q145 N149 Y150 S151 L152 C153 Y156 P157 K158 F160Q145-N147 PolarHBondContact O-N 2.77Å; N147-N149 PolarHBondContact O-N 3.04Å; N147-N149 VanDerWaalsContact O-N 3.1Å; N147-Y150 PolarHBondContact O-N 2.91Å; N147-Y150 WeakPolarHBondContact OD1-CA 3.47Å; N147-S151 PolarHBondContact OD1-N 3.34Å; N147-L152 HydrophobicContact CB-CB 4.45Å; N147-L152 WeakPolarHBondContact OD1-CB 3.29Å; N147-L152 PolarHBondContact OD1-N 2.96Å; N147-C153 PolarHBondContact ND2-O 3.4Å; N147-C153 PolarHBondContact OD1-N 3.33Å; N147-C153 PolarHBondContact OD1-O 2.79Å; N147-Y156 PolarHBondContact ND2-O 3.02Å; N147-P157 PolarHBondContact ND2-O 3.22Å; N147-K158 CarbonylContact C-O 3.55Å; N147-K158 WeakPolarHBondContact O-CA 3.27Å; N147-F160 HydrophobicContact CB-CD1 4.16Å; N147-F160 HydrophobicContact CB-CE1 3.78Å
148E96.4Very high95.5Very high109 Ų10953.3 Ų53.351%0.50930%0.295SS..THydrogen-bonded Turntrans-51.3-36.6-177.5-177.9173.2-162.900113.7Q145 K158Q145-E148 VanDerWaalsContact O-CB 3.29Å; Q145-E148 WeakPolarHBondContact O-CB 3.46Å; Q145-E148 PolarHBondContact O-N 3.46Å; E148-K158 PolarHBondContact N-O 3.05Å; E148-K158 WeakPolarHBondContact O-CD 3.47Å; E148-K158 WeakPolarHBondContact O-CE 3.41Å; E148-K158 WeakPolarHBondContact O-CG 3.23Å
149N96.7Very high95.7Very high124 Ų12450.5 Ų50.566%0.66328%0.278SS*.THydrogen-bonded Turntrans-100.817.9177.8-63.3-39.1000113.5N147 S151N147-N149 PolarHBondContact O-N 3.04Å; N147-N149 VanDerWaalsContact O-N 3.1Å; N149-S151 PolarHBondContact O-N 3.01Å; N149-S151 PolarHBondContact O-OG 2.79Å
150Y97.4Very high96.1Very high17 Ų1748.2 Ų48.27%0.06725%0.254CS..SBendtrans57.818.4180-63.1-71.7000114.9N147 C153 N154 Y156 K158 L611 Q612 E615N147-Y150 PolarHBondContact O-N 2.91Å; N147-Y150 WeakPolarHBondContact OD1-CA 3.47Å; Y150-C153 CarbonylContact O-C 3.54Å; Y150-N154 PolarHBondContact O-N 2.92Å; Y150-Y156 WeakPolarHBondContact CD1-O 3.28Å; Y150-Y156 WeakPolarHBondContact CE1-O 3.39Å; Y150-K158 HydrophobicContact CE1-CG 3.96Å; Y150-K158 HydrophobicContact CE2-CD 4.27Å; Y150-K158 HydrophobicContact CE2-CG 3.89Å; Y150-L611 HydrophobicContact CE1-CB 4.16Å; Y150-Q612 HydrophobicContact CD1-CB 3.81Å; Y150-Q612 HydrophobicContact CD1-CG 4.46Å; Y150-Q612 HydrophobicContact CD2-CB 3.72Å; Y150-Q612 HydrophobicContact CD2-CG 3.58Å; Y150-Q612 HydrophobicContact CE1-CB 4Å; Y150-Q612 HydrophobicContact CE2-CB 3.9Å; Y150-Q612 HydrophobicContact CE2-CG 4.05Å; Y150-Q612 HydrophobicContact CG-CB 3.66Å; Y150-Q612 HydrophobicContact CG-CG 3.81Å; Y150-E615 WeakPolarHBondContact CE2-OE2 3.35Å; Y150-E615 PolarHBondContact OH-OE1 3.16Å
151S96.3Very high96.3Very high103 Ų10345.9 Ų45.972%0.7224%0.237SC*.  trans-81.8-24.5-171.9-59.80000113.5N147 N149N147-S151 PolarHBondContact OD1-N 3.34Å; N149-S151 PolarHBondContact O-N 3.01Å; N149-S151 PolarHBondContact O-OG 2.79Å
152L96.3Very high96.3Very high29 Ų2944.9 Ų44.915%0.15223%0.233CC..SBendtrans-80.2-46.4174.4-62.7-177.1000110.9L146 N147 I171 I172 G181 F183L146-L152 HydrophobicContact CB-CD1 3.6Å; L146-L152 HydrophobicContact CD1-CD1 4.46Å; N147-L152 HydrophobicContact CB-CB 4.45Å; N147-L152 WeakPolarHBondContact OD1-CB 3.29Å; N147-L152 PolarHBondContact OD1-N 2.96Å; L152-I171 HydrophobicContact CD1-CG2 4.27Å; L152-I172 HydrophobicContact CD2-CB 4.49Å; L152-I172 HydrophobicContact CD2-CG1 3.9Å; L152-G181 WeakPolarHBondContact O-CA 3.46Å; L152-F183 HydrophobicContact CB-CE1 4.29Å
153C97.3Very high96.3Very high3 Ų342 Ų422%0.0222%0.224CC..  trans-151.9115.1175.7-1760000109.8N147 Y150 S155 Y156 G180 G181 R182N147-C153 PolarHBondContact ND2-O 3.4Å; N147-C153 PolarHBondContact OD1-N 3.33Å; N147-C153 PolarHBondContact OD1-O 2.79Å; Y150-C153 CarbonylContact O-C 3.54Å; C153-S155 PolarHBondContact O-N 3.38Å; C153-S155 PolarHBondContact SG-OG 3Å; C153-Y156 HydrophobicContact CB-CD2 3.93Å; C153-Y156 HydrophobicContact CB-CG 3.96Å; C153-Y156 PolarHBondContact O-N 3.39Å; C153-G180 PolarHBondContact SG-O 2.85Å; C153-G181 WeakPolarHBondContact CB-O 3.02Å; C153-R182 WeakPolarHBondContact SG-CG 3.45Å
154N96.7Very high96.3Very high87 Ų8742 Ų4247%0.46523%0.227SC..THydrogen-bonded Turntrans-67.8-19.6-177.562.7-3.3000114.9Y150 Q612Y150-N154 PolarHBondContact O-N 2.92Å; N154-Q612 VanDerWaalsContact CB-OE1 3.26Å
155S96.3Very high96.2Very high15 Ų1548.1 Ų48.111%0.10525%0.253CS..THydrogen-bonded Turntrans-97.1-6.7-179.256.80000113.5C153 R182 A541 G542C153-S155 PolarHBondContact O-N 3.38Å; C153-S155 PolarHBondContact SG-OG 3Å; S155-R182 PolarHBondContact OG-NH1 2.86Å; S155-A541 CarbonylContact O-C 3.48Å; S155-G542 VanDerWaalsContact O-CA 3.24Å; S155-G542 WeakPolarHBondContact O-CA 3.33Å; S155-G542 PolarHBondContact O-N 3.05Å
156Y96.9Very high96.2Very high0 Ų042.3 Ų42.30%023%0.226CC..SBendtrans-94.8161.6175-81.72.8000111.4N147 Y150 C153 R182 F183 L185N147-Y156 PolarHBondContact ND2-O 3.02Å; Y150-Y156 WeakPolarHBondContact CD1-O 3.28Å; Y150-Y156 WeakPolarHBondContact CE1-O 3.39Å; C153-Y156 HydrophobicContact CB-CD2 3.93Å; C153-Y156 HydrophobicContact CB-CG 3.96Å; C153-Y156 PolarHBondContact O-N 3.39Å; Y156-R182 HydrophobicContact CD1-CG 4.45Å; Y156-R182 HydrophobicContact CE1-CB 4.22Å; Y156-R182 HydrophobicContact CE1-CG 3.93Å; Y156-R182 HydrophobicContact CE2-CB 4.45Å; Y156-F183 HydrophobicContact CD2-CD1 4.37Å; Y156-F183 AromaticContact CD2-CE1 3.9Å; Y156-F183 HydrophobicContact CD2-CE1 3.9Å; Y156-F183 HydrophobicContact CD2-CE2 4.37Å; Y156-F183 AromaticContact CD2-CZ 3.89Å; Y156-F183 HydrophobicContact CD2-CZ 3.89Å; Y156-F183 HydrophobicContact CE2-CD1 4.24Å; Y156-F183 HydrophobicContact CE2-CD2 4.34Å; Y156-F183 HydrophobicContact CE2-CE1 4.19Å; Y156-F183 HydrophobicContact CE2-CE2 4.29Å; Y156-F183 HydrophobicContact CE2-CG 4.3Å; Y156-F183 HydrophobicContact CE2-CZ 4.21Å; Y156-F183 WeakPolarHBondContact CE2-O 3.46Å; Y156-F183 PolarHBondContact OH-O 3.31Å; Y156-L185 HydrophobicContact CD1-CD2 3.89Å; Y156-L185 HydrophobicContact CD2-CB 4.46Å; Y156-L185 HydrophobicContact CD2-CD1 4.38Å; Y156-L185 HydrophobicContact CD2-CD2 4.38Å; Y156-L185 HydrophobicContact CE1-CB 4.27Å; Y156-L185 HydrophobicContact CE1-CD2 3.74Å; Y156-L185 HydrophobicContact CE2-CB 3.74Å; Y156-L185 HydrophobicContact CE2-CD1 4.45Å; Y156-L185 HydrophobicContact CE2-CD2 4.28Å; Y156-L185 HydrophobicContact CE2-CG 4.38Å; Y156-L185 HydrophobicContact CG-CD2 4.21Å
157P95.4Very high96Very high14 Ų1443.7 Ų43.79%0.09123%0.234CC..  trans-66.1161.4176.129.7-36.2000112.1N147 T159 N540 L611N147-P157 PolarHBondContact ND2-O 3.22Å; P157-T159 WeakPolarHBondContact CB-O 3.31Å; P157-T159 WeakPolarHBondContact CG-O 3.33Å; P157-T159 PolarHBondContact O-N 3.04Å; P157-N540 VanDerWaalsContact CD-O 3.3Å; P157-N540 WeakPolarHBondContact CD-O 3.48Å; P157-L611 HydrophobicContact CB-CD1 3.65Å
158K95.4Very high96Very high68 Ų6846.9 Ų46.930%0.29625%0.251SS..SBendtrans-58.3-39.9172.4-72.2-172.1174.4160.40112.5N147 E148 Y150 E615N147-K158 CarbonylContact C-O 3.55Å; N147-K158 WeakPolarHBondContact O-CA 3.27Å; E148-K158 PolarHBondContact N-O 3.05Å; E148-K158 WeakPolarHBondContact O-CD 3.47Å; E148-K158 WeakPolarHBondContact O-CE 3.41Å; E148-K158 WeakPolarHBondContact O-CG 3.23Å; Y150-K158 HydrophobicContact CE1-CG 3.96Å; Y150-K158 HydrophobicContact CE2-CD 4.27Å; Y150-K158 HydrophobicContact CE2-CG 3.89Å; K158-E615 WeakPolarHBondContact CE-OE1 3.45Å; K158-E615 WeakPolarHBondContact CE-OE2 3.41Å; K158-E615 IonicContact NZ-OE1 2.78Å; K158-E615 PolarHBondContact NZ-OE1 2.97Å; K158-E615 IonicContact NZ-OE2 3.43Å; K158-E615 PolarHBondContact NZ-OE2 3.25Å
159T95.1Very high96Very high30 Ų3046.6 Ų46.618%0.18425%0.25CC..SBendtrans-118.1140-178.9590000110.3S144 Q145 P157S144-T159 VanDerWaalsContact O-CA 3.28Å; S144-T159 WeakPolarHBondContact O-CA 3.48Å; Q145-T159 HydrophobicContact CG-CG2 3.98Å; P157-T159 WeakPolarHBondContact CB-O 3.31Å; P157-T159 WeakPolarHBondContact CG-O 3.33Å; P157-T159 PolarHBondContact O-N 3.04Å
160F95.4Very high96.1Very high2 Ų241.3 Ų41.31%0.00922%0.221CC..EExtended strand (participates in β ladder)trans-149.6166.7-178.358.6-85.3000110S144 L146 N147 V162 I171 F183 L185S144-F160 PolarHBondContact N-O 2.81Å; S144-F160 PolarHBondContact O-N 3.4Å; S144-F160 VanDerWaalsContact O-N 3.08Å; L146-F160 HydrophobicContact CB-CE1 4.23Å; L146-F160 HydrophobicContact CB-CZ 4.08Å; L146-F160 HydrophobicContact CD1-CZ 4.41Å; N147-F160 HydrophobicContact CB-CD1 4.16Å; N147-F160 HydrophobicContact CB-CE1 3.78Å; F160-V162 HydrophobicContact CD2-CG1 3.65Å; F160-V162 HydrophobicContact CE2-CG1 3.53Å; F160-I171 HydrophobicContact CE2-CD1 4.23Å; F160-I171 HydrophobicContact CE2-CG2 4.13Å; F160-I171 HydrophobicContact CZ-CG2 4Å; F160-F183 HydrophobicContact CD1-CZ 4.27Å; F160-F183 AromaticContact CD2-CE2 3.8Å; F160-F183 HydrophobicContact CD2-CE2 3.8Å; F160-F183 HydrophobicContact CD2-CZ 4Å; F160-F183 AromaticContact CE1-CZ 3.97Å; F160-F183 HydrophobicContact CE1-CZ 3.97Å; F160-F183 AromaticContact CE2-CE2 3.58Å; F160-F183 HydrophobicContact CE2-CE2 3.58Å; F160-F183 AromaticContact CE2-CZ 3.66Å; F160-F183 HydrophobicContact CE2-CZ 3.66Å; F160-F183 HydrophobicContact CG-CE2 4.44Å; F160-F183 HydrophobicContact CG-CZ 4.3Å; F160-F183 HydrophobicContact CZ-CE2 4.07Å; F160-F183 AromaticContact CZ-CZ 3.66Å; F160-F183 HydrophobicContact CZ-CZ 3.66Å; F160-L185 HydrophobicContact CB-CD1 3.7Å
161I95.7Very high96.1Very high7 Ų740.5 Ų40.54%0.03622%0.218CC..EExtended strand (participates in β ladder)trans-111.1131.6-172.1-62.2172000110.2W128 I132 L136 W141 R142 I143 L186W128-I161 HydrophobicContact CD2-CD1 3.75Å; W128-I161 HydrophobicContact CE3-CD1 3.84Å; W128-I161 HydrophobicContact CG-CD1 4.35Å; W128-I161 HydrophobicContact CH2-CD1 4.13Å; W128-I161 HydrophobicContact CH2-CG1 4.12Å; W128-I161 HydrophobicContact CZ2-CD1 4.03Å; W128-I161 HydrophobicContact CZ2-CG1 3.99Å; W128-I161 HydrophobicContact CZ3-CD1 4.04Å; W128-I161 HydrophobicContact CZ3-CG1 4.46Å; I132-I161 HydrophobicContact CG2-CD1 3.05Å; L136-I161 HydrophobicContact CD1-CD1 4.04Å; L136-I161 HydrophobicContact CD2-CD1 4.29Å; L136-I161 HydrophobicContact CD2-CG1 4.45Å; L136-I161 HydrophobicContact CD2-CG2 4.05Å; L136-I161 HydrophobicContact CG-CD1 4.32Å; W141-I161 HydrophobicContact CB-CG2 3.99Å; W141-I161 HydrophobicContact CE3-CG2 3.87Å; R142-I161 WeakPolarHBondContact O-CA 3.38Å; I143-I161 HydrophobicContact CG1-CG1 4.36Å; I161-L186 HydrophobicContact CB-CD2 4.01Å; I161-L186 HydrophobicContact CG2-CD2 3.7Å
162V96.5Very high96.1Very high5 Ų537.4 Ų37.43%0.0319%0.193CC..EExtended strand (participates in β ladder)trans-138.3156-179-66.80000111.1W141 R142 F160 I171W141-V162 CarbonylContact C-O 3.57Å; W141-V162 WeakPolarHBondContact CA-O 3.3Å; R142-V162 HydrophobicContact CG-CG2 3.88Å; R142-V162 PolarHBondContact N-O 2.92Å; R142-V162 PolarHBondContact O-N 2.88Å; F160-V162 HydrophobicContact CD2-CG1 3.65Å; F160-V162 HydrophobicContact CE2-CG1 3.53Å; V162-I171 HydrophobicContact CB-CD1 4.39Å; V162-I171 HydrophobicContact CG1-CD1 3.97Å; V162-I171 HydrophobicContact CG2-CD1 4.09Å
163P96.2Very high96.1Very high6 Ų637.5 Ų37.54%0.03919%0.193CC..EExtended strand (participates in β ladder)trans-58.4145.8172.3-21.331.5000111.6W141 K165 C166 I267W141-P163 HydrophobicContact CD2-CG 4.19Å; W141-P163 HydrophobicContact CE3-CG 3.96Å; W141-P163 VanDerWaalsContact CE3-N 3.34Å; W141-P163 HydrophobicContact CH2-CG 3.79Å; W141-P163 HydrophobicContact CZ2-CG 3.96Å; W141-P163 VanDerWaalsContact CZ3-CD 3.43Å; W141-P163 HydrophobicContact CZ3-CG 3.8Å; P163-K165 PolarHBondContact O-N 2.66Å; P163-C166 WeakPolarHBondContact O-CB 3.37Å; P163-C166 PolarHBondContact O-N 2.85Å; P163-I267 HydrophobicContact CG-CG1 4.01Å
164V96Very high96Very high81 Ų8137.4 Ų37.449%0.49119%0.192SC..THydrogen-bonded Turntrans-60.4-30.4175.2173.60000111.5S140 R142 C166S140-V164 PolarHBondContact O-N 3.43Å; R142-V164 HydrophobicContact CB-CG2 4.09Å; R142-V164 HydrophobicContact CG-CG2 4.39Å; V164-C166 PolarHBondContact O-N 2.84Å
165K94.2Very high96Very high132 Ų13233.6 Ų33.657%0.57417%0.172SC*.THydrogen-bonded Turntrans-65.6-15.9176.6-65.2177.2-179.1176.60113.7P163 C266 D270P163-K165 PolarHBondContact O-N 2.66Å; K165-C266 HydrophobicContact CB-CB 4.12Å; K165-D270 IonicContact NZ-OD1 3.08Å; K165-D270 PolarHBondContact NZ-OD1 3.4Å
166C94.6Very high95.9Very high2 Ų238.1 Ų38.11%0.01419%0.187CC..  trans-86.4120.6179.6-60.20000110.3R142 P163 V164 L263 C266R142-C166 PolarHBondContact NH2-O 2.99Å; P163-C166 WeakPolarHBondContact O-CB 3.37Å; P163-C166 PolarHBondContact O-N 2.85Å; V164-C166 PolarHBondContact O-N 2.84Å; C166-L263 HydrophobicContact CB-CD1 4.07Å; C166-L263 VanDerWaalsContact SG-CD1 3.57Å; C166-C266 WeakPolarHBondContact SG-CB 3.5Å
167D94.5Very high95.7Very high84 Ų8438.1 Ų38.145%0.44919%0.187SC..  trans-76162169.171.838000111.3Q169 M170D167-Q169 VanDerWaalsContact C-N 3.28Å; D167-Q169 PolarHBondContact O-N 3.45Å; D167-Q169 PolarHBondContact OD1-N 3.45Å; D167-Q169 VanDerWaalsContact OD1-N 3.1Å; D167-M170 HydrophobicContact CB-SD 4.23Å; D167-M170 VanDerWaalsContact CG-SD 3.51Å; D167-M170 PolarHBondContact N-SD 2.76Å; D167-M170 PolarHBondContact O-N 3Å; D167-M170 WeakPolarHBondContact OD1-CB 3.46Å; D167-M170 WeakPolarHBondContact OD1-CG 3.46Å; D167-M170 PolarHBondContact OD1-N 2.95Å
168D96.9Very high95.6Very high66 Ų6637.6 Ų37.635%0.35318%0.183SC..Hα-helixtrans-70-28.3-177.4-69.9-14000112.3R142 L146 I171 I172R142-D168 IonicContact CZ-OD1 2.76Å; R142-D168 IonicContact NH1-OD1 2.66Å; R142-D168 PolarHBondContact NH1-OD1 3.16Å; R142-D168 VanDerWaalsContact NH1-OD1 3.16Å; R142-D168 IonicContact NH2-OD1 3.46Å; R142-D168 PolarHBondContact NH2-OD1 3.39Å; L146-D168 HydrophobicContact CD1-CB 3.59Å; L146-D168 WeakPolarHBondContact CD1-OD1 3.49Å; L146-D168 HydrophobicContact CD2-CB 3.79Å; L146-D168 HydrophobicContact CG-CB 4.18Å; D168-I171 PolarHBondContact O-N 2.97Å; D168-I172 VanDerWaalsContact O-CG1 3.3Å; D168-I172 WeakPolarHBondContact O-CG1 3.26Å; D168-I172 PolarHBondContact O-N 3.41Å; D168-I172 VanDerWaalsContact O-N 3.09Å
169Q97Very high95.5Very high104 Ų10436.5 Ų36.549%0.48618%0.179SC..Hα-helixtrans-69.1-36.5179.6-169.163.815.100111.8D167 I171 I172 E173D167-Q169 VanDerWaalsContact C-N 3.28Å; D167-Q169 PolarHBondContact O-N 3.45Å; D167-Q169 PolarHBondContact OD1-N 3.45Å; D167-Q169 VanDerWaalsContact OD1-N 3.1Å; Q169-I171 VanDerWaalsContact C-N 3.28Å; Q169-I171 PolarHBondContact O-N 3.46Å; Q169-I172 PolarHBondContact O-N 2.92Å; Q169-E173 PolarHBondContact NE2-OE1 3.25Å; Q169-E173 WeakPolarHBondContact O-CG 3.37Å; Q169-E173 PolarHBondContact O-N 3.33Å
170M97Very high95.4Very high13 Ų1337.3 Ų37.36%0.06419%0.193CC..Hα-helixtrans-57.6-44174.1-74.8159.3129.700110.9D167 S174 Q262D167-M170 HydrophobicContact CB-SD 4.23Å; D167-M170 VanDerWaalsContact CG-SD 3.51Å; D167-M170 PolarHBondContact N-SD 2.76Å; D167-M170 PolarHBondContact O-N 3Å; D167-M170 WeakPolarHBondContact OD1-CB 3.46Å; D167-M170 WeakPolarHBondContact OD1-CG 3.46Å; D167-M170 PolarHBondContact OD1-N 2.95Å; M170-S174 VanDerWaalsContact O-CB 3.3Å; M170-S174 WeakPolarHBondContact O-CB 3.08Å; M170-S174 PolarHBondContact O-N 3.24Å; M170-Q262 HydrophobicContact CE-CB 3.15Å; M170-Q262 HydrophobicContact CE-CG 4.22Å
171I97.4Very high95.4Very high0 Ų037.7 Ų37.70%020%0.198CC..Hα-helixtrans-68.3-43.8-179.7-59.4164.7000110.2L146 L152 F160 V162 D168 Q169 S174 S175 F183 L263L146-I171 HydrophobicContact CD1-CB 4.09Å; L146-I171 HydrophobicContact CD1-CD1 3.81Å; L146-I171 HydrophobicContact CD1-CG2 4.19Å; L152-I171 HydrophobicContact CD1-CG2 4.27Å; F160-I171 HydrophobicContact CE2-CD1 4.23Å; F160-I171 HydrophobicContact CE2-CG2 4.13Å; F160-I171 HydrophobicContact CZ-CG2 4Å; V162-I171 HydrophobicContact CB-CD1 4.39Å; V162-I171 HydrophobicContact CG1-CD1 3.97Å; V162-I171 HydrophobicContact CG2-CD1 4.09Å; D168-I171 PolarHBondContact O-N 2.97Å; Q169-I171 VanDerWaalsContact C-N 3.28Å; Q169-I171 PolarHBondContact O-N 3.46Å; I171-S174 PolarHBondContact O-N 3.14Å; I171-S175 WeakPolarHBondContact O-CB 3.47Å; I171-S175 PolarHBondContact O-N 3.21Å; I171-F183 HydrophobicContact CG2-CD1 4.36Å; I171-F183 HydrophobicContact CG2-CD2 4.17Å; I171-F183 HydrophobicContact CG2-CE1 4.18Å; I171-F183 HydrophobicContact CG2-CE2 3.98Å; I171-F183 HydrophobicContact CG2-CG 4.37Å; I171-F183 HydrophobicContact CG2-CZ 3.99Å; I171-L263 HydrophobicContact CG1-CD1 4.3Å
172I97.6Very high95.5Very high37 Ų3737.7 Ų37.719%0.1920%0.197CC..Hα-helixtrans-61.1-44.6177.4-67.6163.8000111.5L152 D168 Q169 S175 R176L152-I172 HydrophobicContact CD2-CB 4.49Å; L152-I172 HydrophobicContact CD2-CG1 3.9Å; D168-I172 VanDerWaalsContact O-CG1 3.3Å; D168-I172 WeakPolarHBondContact O-CG1 3.26Å; D168-I172 PolarHBondContact O-N 3.41Å; D168-I172 VanDerWaalsContact O-N 3.09Å; Q169-I172 PolarHBondContact O-N 2.92Å; I172-S175 PolarHBondContact O-N 3.2Å; I172-S175 PolarHBondContact O-OG 3.2Å; I172-R176 WeakPolarHBondContact O-CG 3.25Å; I172-R176 PolarHBondContact O-N 2.69Å
173E95.9Very high95.5Very high32 Ų3237.5 Ų37.515%0.1520%0.196CC..Hα-helixtrans-74.5-33.4179.8-67.5-55.4146.200112.5Q169 R176 F177 S259Q169-E173 PolarHBondContact NE2-OE1 3.25Å; Q169-E173 WeakPolarHBondContact O-CG 3.37Å; Q169-E173 PolarHBondContact O-N 3.33Å; E173-R176 PolarHBondContact O-N 3.4Å; E173-R176 IonicContact OE1-CZ 3.85Å; E173-R176 IonicContact OE1-NH1 3.64Å; E173-R176 PolarHBondContact OE1-NH1 2.87Å; E173-R176 IonicContact OE2-NH1 3.15Å; E173-F177 WeakPolarHBondContact O-CB 3.41Å; E173-F177 PolarHBondContact O-N 3.24Å; E173-F177 VanDerWaalsContact O-N 3.1Å; E173-S259 VanDerWaalsContact CB-CB 3.49Å
174S95.5Very high95.5Very high0 Ų037.6 Ų37.60%020%0.196CC..Hα-helixtrans-64.7-41.5171.11780000111.5M170 I171 R176 F177 R178 F183 D260 L263M170-S174 VanDerWaalsContact O-CB 3.3Å; M170-S174 WeakPolarHBondContact O-CB 3.08Å; M170-S174 PolarHBondContact O-N 3.24Å; I171-S174 PolarHBondContact O-N 3.14Å; S174-R176 VanDerWaalsContact C-N 3.34Å; S174-R176 PolarHBondContact O-N 3.11Å; S174-F177 PolarHBondContact O-N 2.98Å; S174-F177 VanDerWaalsContact O-N 3.11Å; S174-R178 WeakPolarHBondContact O-CB 3.08Å; S174-R178 WeakPolarHBondContact O-CG 3.24Å; S174-R178 PolarHBondContact O-N 3.26Å; S174-F183 WeakPolarHBondContact OG-CB 3.46Å; S174-D260 WeakPolarHBondContact CB-OD1 3.39Å; S174-D260 PolarHBondContact OG-OD1 3Å; S174-L263 WeakPolarHBondContact OG-CD2 3.45Å
175S96.1Very high95.6Very high7 Ų734.1 Ų34.15%0.04918%0.175CC..Hα-helixtrans-61.6-42.3177.478.50000111.6I171 I172 F177 R178 G181I171-S175 WeakPolarHBondContact O-CB 3.47Å; I171-S175 PolarHBondContact O-N 3.21Å; I172-S175 PolarHBondContact O-N 3.2Å; I172-S175 PolarHBondContact O-OG 3.2Å; S175-F177 VanDerWaalsContact C-N 3.27Å; S175-F177 PolarHBondContact O-N 3.02Å; S175-R178 PolarHBondContact O-N 2.8Å; S175-R178 VanDerWaalsContact O-O 3.13Å; S175-G181 VanDerWaalsContact O-CA 3.26Å; S175-G181 WeakPolarHBondContact O-CA 3.46Å
176R93.8Very high95.8Very high110 Ų11028.5 Ų28.542%0.41515%0.151SC..Hα-helixtrans-64.6-30.6175.1-69.3169.5178.5-179.5-3.4113.4I172 E173 S174 F252I172-R176 WeakPolarHBondContact O-CG 3.25Å; I172-R176 PolarHBondContact O-N 2.69Å; E173-R176 PolarHBondContact O-N 3.4Å; E173-R176 IonicContact OE1-CZ 3.85Å; E173-R176 IonicContact OE1-NH1 3.64Å; E173-R176 PolarHBondContact OE1-NH1 2.87Å; E173-R176 IonicContact OE2-NH1 3.15Å; S174-R176 VanDerWaalsContact C-N 3.34Å; S174-R176 PolarHBondContact O-N 3.11Å; R176-F252 HydrophobicContact CB-CE2 4.37Å
177F93Very high95.8Very high1 Ų129.2 Ų29.20%0.00416%0.155CC..Hα-helixtrans-81.5-24.3180-179.1-120.4000113.1E173 S174 S175 P203 L204 F252 G255 C257 D260E173-F177 WeakPolarHBondContact O-CB 3.41Å; E173-F177 PolarHBondContact O-N 3.24Å; E173-F177 VanDerWaalsContact O-N 3.1Å; S174-F177 PolarHBondContact O-N 2.98Å; S174-F177 VanDerWaalsContact O-N 3.11Å; S175-F177 VanDerWaalsContact C-N 3.27Å; S175-F177 PolarHBondContact O-N 3.02Å; F177-P203 HydrophobicContact CD1-CB 3.99Å; F177-P203 HydrophobicContact CE1-CB 3.33Å; F177-P203 HydrophobicContact CE1-CG 4.38Å; F177-P203 HydrophobicContact CE2-CB 4.01Å; F177-P203 HydrophobicContact CZ-CB 3.33Å; F177-P203 HydrophobicContact CZ-CG 4.4Å; F177-P203 WeakPolarHBondContact O-CA 3.42Å; F177-L204 WeakPolarHBondContact O-CB 3.31Å; F177-L204 PolarHBondContact O-N 2.75Å; F177-F252 HydrophobicContact CB-CE2 4.12Å; F177-F252 HydrophobicContact CB-CZ 4.14Å; F177-F252 HydrophobicContact CD2-CD2 4.27Å; F177-F252 HydrophobicContact CD2-CE2 4.44Å; F177-F252 HydrophobicContact CD2-CG 4.32Å; F177-G255 WeakPolarHBondContact CZ-O 3.47Å; F177-C257 HydrophobicContact CB-CB 3.86Å; F177-C257 HydrophobicContact CD1-CB 3.48Å; F177-C257 VanDerWaalsContact CD1-CB 3.48Å; F177-C257 HydrophobicContact CD2-CB 3.72Å; F177-C257 HydrophobicContact CE1-CB 3.83Å; F177-C257 HydrophobicContact CE2-CB 4.09Å; F177-C257 HydrophobicContact CG-CB 3.39Å; F177-C257 HydrophobicContact CZ-CB 4.13Å; F177-D260 HydrophobicContact CD1-CB 3.89Å; F177-D260 HydrophobicContact CE1-CB 4.37Å
178R93.6Very high95.9Very high2 Ų225.8 Ų25.81%0.00814%0.136CC..BIsolated β-bridgetrans-98.7141.8-173.8-64.6-82.9-176.4173.7-8.8111.4S174 S175 G180 G181 A201 D260 E296S174-R178 WeakPolarHBondContact O-CB 3.08Å; S174-R178 WeakPolarHBondContact O-CG 3.24Å; S174-R178 PolarHBondContact O-N 3.26Å; S175-R178 PolarHBondContact O-N 2.8Å; S175-R178 VanDerWaalsContact O-O 3.13Å; R178-G180 PolarHBondContact O-N 3.34Å; R178-G181 PolarHBondContact O-N 2.88Å; R178-A201 VanDerWaalsContact CD-O 3.3Å; R178-A201 WeakPolarHBondContact CD-O 3.31Å; R178-A201 PolarHBondContact NH1-O 3.27Å; R178-D260 IonicContact CZ-OD1 2.82Å; R178-D260 IonicContact CZ-OD2 3.68Å; R178-D260 IonicContact NE-OD1 3.74Å; R178-D260 PolarHBondContact NE-OD1 2.93Å; R178-D260 IonicContact NE-OD2 3.61Å; R178-D260 IonicContact NH2-OD1 3.32Å; R178-D260 IonicContact NH2-OD2 3.66Å; R178-D260 PolarHBondContact NH2-OD2 3.21Å; R178-E296 IonicContact CZ-OE1 3.97Å; R178-E296 IonicContact NH1-OE1 2.99Å; R178-E296 PolarHBondContact NH1-OE1 3.03Å; R178-E296 IonicContact NH2-OE1 3.62Å; R178-E296 PolarHBondContact NH2-OE1 2.94Å
179H92.7Very high95.8Very high46 Ų4623.3 Ų23.321%0.21312%0.121CC..G310 helixtrans-57.1125-177.5-174.491000111.7G181 R182 A201 E202 L204H179-G181 VanDerWaalsContact C-N 3.27Å; H179-G181 PolarHBondContact O-N 2.78Å; H179-R182 PolarHBondContact O-N 2.87Å; H179-A201 HydrophobicContact CB-CB 4Å; H179-A201 VanDerWaalsContact O-CB 3.31Å; H179-A201 WeakPolarHBondContact O-CB 3.5Å; H179-E202 HydrophobicContact CB-CG 4.24Å; H179-E202 WeakPolarHBondContact CB-O 3.25Å; H179-E202 PolarHBondContact N-O 2.89Å; H179-L204 HydrophobicContact CB-CD2 3.83Å; H179-L204 HydrophobicContact CB-CG 4.4Å
180G94.1Very high95.5Very high46 Ų4618.7 Ų18.747%0.47410%0.1SC..G310 helixtrans67.620.4-179.700000114.8C153 R178 R182C153-G180 PolarHBondContact SG-O 2.85Å; R178-G180 PolarHBondContact O-N 3.34Å; G180-R182 PolarHBondContact O-N 2.84Å
181G96Very high94.9Very high11 Ų1123.4 Ų23.411%0.11312%0.12CC..G310 helixtrans79.13.1-177.800000113.9L152 C153 S175 R178 H179 F183L152-G181 WeakPolarHBondContact O-CA 3.46Å; C153-G181 WeakPolarHBondContact CB-O 3.02Å; S175-G181 VanDerWaalsContact O-CA 3.26Å; S175-G181 WeakPolarHBondContact O-CA 3.46Å; R178-G181 PolarHBondContact O-N 2.88Å; H179-G181 VanDerWaalsContact C-N 3.27Å; H179-G181 PolarHBondContact O-N 2.78Å; G181-F183 VanDerWaalsContact C-N 3.26Å; G181-F183 WeakPolarHBondContact O-CD1 3.44Å; G181-F183 PolarHBondContact O-N 2.83Å
182R96.5Very high94.2Very high6 Ų627.7 Ų27.72%0.02315%0.148CC..  trans-84.868.1-167-68.5178.169.491.50.7112.2C153 S155 Y156 H179 G180 T200 A201 K504 G505 A541C153-R182 WeakPolarHBondContact SG-CG 3.45Å; S155-R182 PolarHBondContact OG-NH1 2.86Å; Y156-R182 HydrophobicContact CD1-CG 4.45Å; Y156-R182 HydrophobicContact CE1-CB 4.22Å; Y156-R182 HydrophobicContact CE1-CG 3.93Å; Y156-R182 HydrophobicContact CE2-CB 4.45Å; H179-R182 PolarHBondContact O-N 2.87Å; G180-R182 PolarHBondContact O-N 2.84Å; R182-T200 PolarHBondContact O-OG1 3.22Å; R182-A201 HydrophobicContact CB-CB 3.69Å; R182-A201 PolarHBondContact O-N 3.38Å; R182-K504 WeakPolarHBondContact CD-O 3.13Å; R182-K504 PolarHBondContact NE-O 3.47Å; R182-K504 VanDerWaalsContact NE-O 3.09Å; R182-G505 PolarHBondContact NE-O 2.82Å; R182-G505 PolarHBondContact NH2-O 3.1Å; R182-A541 VanDerWaalsContact CZ-O 3.23Å; R182-A541 PolarHBondContact NH1-O 3.19Å; R182-A541 PolarHBondContact NH2-O 3.33Å
183F96.9Very high93.5Very high2 Ų229.9 Ų29.91%0.00915%0.154CC..  trans-58.3165.8170.263.4-95.2000111.6L152 Y156 F160 I171 S174 G181 L185L152-F183 HydrophobicContact CB-CE1 4.29Å; Y156-F183 HydrophobicContact CD2-CD1 4.37Å; Y156-F183 AromaticContact CD2-CE1 3.9Å; Y156-F183 HydrophobicContact CD2-CE1 3.9Å; Y156-F183 HydrophobicContact CD2-CE2 4.37Å; Y156-F183 AromaticContact CD2-CZ 3.89Å; Y156-F183 HydrophobicContact CD2-CZ 3.89Å; Y156-F183 HydrophobicContact CE2-CD1 4.24Å; Y156-F183 HydrophobicContact CE2-CD2 4.34Å; Y156-F183 HydrophobicContact CE2-CE1 4.19Å; Y156-F183 HydrophobicContact CE2-CE2 4.29Å; Y156-F183 HydrophobicContact CE2-CG 4.3Å; Y156-F183 HydrophobicContact CE2-CZ 4.21Å; Y156-F183 WeakPolarHBondContact CE2-O 3.46Å; Y156-F183 PolarHBondContact OH-O 3.31Å; F160-F183 HydrophobicContact CD1-CZ 4.27Å; F160-F183 AromaticContact CD2-CE2 3.8Å; F160-F183 HydrophobicContact CD2-CE2 3.8Å; F160-F183 HydrophobicContact CD2-CZ 4Å; F160-F183 AromaticContact CE1-CZ 3.97Å; F160-F183 HydrophobicContact CE1-CZ 3.97Å; F160-F183 AromaticContact CE2-CE2 3.58Å; F160-F183 HydrophobicContact CE2-CE2 3.58Å; F160-F183 AromaticContact CE2-CZ 3.66Å; F160-F183 HydrophobicContact CE2-CZ 3.66Å; F160-F183 HydrophobicContact CG-CE2 4.44Å; F160-F183 HydrophobicContact CG-CZ 4.3Å; F160-F183 HydrophobicContact CZ-CE2 4.07Å; F160-F183 AromaticContact CZ-CZ 3.66Å; F160-F183 HydrophobicContact CZ-CZ 3.66Å; I171-F183 HydrophobicContact CG2-CD1 4.36Å; I171-F183 HydrophobicContact CG2-CD2 4.17Å; I171-F183 HydrophobicContact CG2-CE1 4.18Å; I171-F183 HydrophobicContact CG2-CE2 3.98Å; I171-F183 HydrophobicContact CG2-CG 4.37Å; I171-F183 HydrophobicContact CG2-CZ 3.99Å; S174-F183 WeakPolarHBondContact OG-CB 3.46Å; G181-F183 VanDerWaalsContact C-N 3.26Å; G181-F183 WeakPolarHBondContact O-CD1 3.44Å; G181-F183 PolarHBondContact O-N 2.83Å; F183-L185 PolarHBondContact O-N 3.3Å; F183-L185 VanDerWaalsContact O-N 3.12Å
184P97.4Very high93.1Very high7 Ų734.2 Ų34.25%0.04517%0.174CC..  trans-54.8116.5178.8-26.534.7000112.8L198 I199 L263 L264 I267P184-L198 HydrophobicContact CB-CD2 4.09Å; P184-I199 CarbonylContact C-O 3.46Å; P184-I199 WeakPolarHBondContact CA-O 3.16Å; P184-L263 HydrophobicContact CG-CD2 4.27Å; P184-L264 HydrophobicContact CB-CD2 4.15Å; P184-L264 HydrophobicContact CG-CD2 3.48Å; P184-L264 VanDerWaalsContact CG-CD2 3.48Å; P184-I267 HydrophobicContact CB-CD1 4.01Å
185L97.4Very high92.8Very high9 Ų934.3 Ų34.35%0.04718%0.175CC..EExtended strand (participates in β ladder)trans-111123.5-179.8-179.469.6000110Y156 F160 F183 L187 L198 I199 A541Y156-L185 HydrophobicContact CD1-CD2 3.89Å; Y156-L185 HydrophobicContact CD2-CB 4.46Å; Y156-L185 HydrophobicContact CD2-CD1 4.38Å; Y156-L185 HydrophobicContact CD2-CD2 4.38Å; Y156-L185 HydrophobicContact CE1-CB 4.27Å; Y156-L185 HydrophobicContact CE1-CD2 3.74Å; Y156-L185 HydrophobicContact CE2-CB 3.74Å; Y156-L185 HydrophobicContact CE2-CD1 4.45Å; Y156-L185 HydrophobicContact CE2-CD2 4.28Å; Y156-L185 HydrophobicContact CE2-CG 4.38Å; Y156-L185 HydrophobicContact CG-CD2 4.21Å; F160-L185 HydrophobicContact CB-CD1 3.7Å; F183-L185 PolarHBondContact O-N 3.3Å; F183-L185 VanDerWaalsContact O-N 3.12Å; L185-L187 HydrophobicContact CD2-CD2 4.19Å; L185-L187 HydrophobicContact CG-CD2 4.39Å; L185-L198 CarbonylContact O-C 3.52Å; L185-L198 WeakPolarHBondContact O-CA 3.27Å; L185-L198 VanDerWaalsContact O-CB 3.31Å; L185-L198 WeakPolarHBondContact O-CB 3.44Å; L185-I199 HydrophobicContact CB-CG1 4.07Å; L185-I199 HydrophobicContact CD2-CD1 4.33Å; L185-I199 PolarHBondContact N-O 3.34Å; L185-I199 PolarHBondContact O-N 3.15Å; L185-A541 HydrophobicContact CD2-CB 4.49Å
186L97.4Very high92.7Very high14 Ų1434 Ų347%0.07317%0.173CC..EExtended strand (participates in β ladder)trans-68129.8174.8-17972000110.7I132 L135 W141 I161 T196 L198I132-L186 HydrophobicContact CD1-CD2 4.01Å; I132-L186 HydrophobicContact CD1-CG 4.32Å; L135-L186 HydrophobicContact CD2-CD2 3.5Å; W141-L186 HydrophobicContact CE3-CD2 3.96Å; W141-L186 HydrophobicContact CH2-CD1 4.2Å; W141-L186 HydrophobicContact CZ3-CB 4.25Å; W141-L186 HydrophobicContact CZ3-CD1 4.22Å; W141-L186 HydrophobicContact CZ3-CD2 3.9Å; W141-L186 HydrophobicContact CZ3-CG 4.35Å; I161-L186 HydrophobicContact CB-CD2 4.01Å; I161-L186 HydrophobicContact CG2-CD2 3.7Å; L186-T196 HydrophobicContact CD1-CG2 3.72Å; L186-L198 HydrophobicContact CB-CD2 4.47Å; L186-L198 HydrophobicContact CD1-CG 4.25Å
187L96.3Very high92.9Very high17 Ų1728.8 Ų28.89%0.08915%0.153CC..EExtended strand (participates in β ladder)trans-116.1-39.5175.7-61.8-176.9000113L185 L197 I199 A513 T537 A541L185-L187 HydrophobicContact CD2-CD2 4.19Å; L185-L187 HydrophobicContact CG-CD2 4.39Å; L187-L197 PolarHBondContact N-O 2.99Å; L187-I199 HydrophobicContact CD1-CB 4.18Å; L187-I199 HydrophobicContact CD1-CD1 4.03Å; L187-I199 HydrophobicContact CD1-CG1 3.83Å; L187-I199 HydrophobicContact CD1-CG2 3.39Å; L187-I199 HydrophobicContact CD2-CD1 4.23Å; L187-I199 HydrophobicContact CD2-CG1 4.24Å; L187-I199 HydrophobicContact CG-CD1 4.42Å; L187-I199 HydrophobicContact CG-CG1 4.02Å; L187-I199 HydrophobicContact CG-CG2 4.34Å; L187-A513 HydrophobicContact CD1-CB 3.72Å; L187-T537 HydrophobicContact CD1-CG2 3.89Å; L187-A541 HydrophobicContact CD2-CB 4.46Å
188Y95.9Very high93.2Very high11 Ų1128.9 Ų28.94%0.04315%0.153CC..EExtended strand (participates in β ladder)trans-145.5149.1-174171-106.4000111.8N131 H190 L197 Q517 N521N131-Y188 HydrophobicContact CB-CE2 4.24Å; N131-Y188 WeakPolarHBondContact ND2-CD2 3.4Å; Y188-H190 HydrophobicContact CD1-CB 4.39Å; Y188-H190 HydrophobicContact CE1-CB 3.61Å; Y188-H190 PolarHBondContact OH-ND1 2.93Å; Y188-L197 HydrophobicContact CD1-CB 4.23Å; Y188-L197 HydrophobicContact CD1-CD2 4.48Å; Y188-L197 PolarHBondContact N-O 2.81Å; Y188-L197 PolarHBondContact O-N 3.32Å; Y188-Q517 HydrophobicContact CD1-CG 4.24Å; Y188-Q517 HydrophobicContact CD2-CG 4.23Å; Y188-Q517 HydrophobicContact CG-CG 3.84Å; Y188-N521 HydrophobicContact CE2-CB 3.97Å
189Y94Very high93.4Very high14 Ų1428.8 Ų28.86%0.05515%0.153CC..EExtended strand (participates in β ladder)trans-122.6116.2177174.1-120.1000108.8N131 L135 K191 Q194 T195 T196N131-Y189 PolarHBondContact ND2-N 3.28Å; N131-Y189 VanDerWaalsContact O-CD1 3.28Å; N131-Y189 WeakPolarHBondContact O-CD1 3.48Å; L135-Y189 HydrophobicContact CB-CD1 3.84Å; L135-Y189 HydrophobicContact CB-CE1 4.29Å; L135-Y189 HydrophobicContact CB-CG 3.94Å; L135-Y189 HydrophobicContact CD1-CD1 4.21Å; L135-Y189 HydrophobicContact CD1-CD2 3.69Å; L135-Y189 HydrophobicContact CD1-CE1 4.15Å; L135-Y189 HydrophobicContact CD1-CE2 3.62Å; L135-Y189 HydrophobicContact CD1-CG 3.97Å; L135-Y189 HydrophobicContact CD2-CD2 4.33Å; L135-Y189 HydrophobicContact CD2-CG 4.25Å; L135-Y189 HydrophobicContact CG-CD2 4.4Å; L135-Y189 HydrophobicContact CG-CG 4.28Å; Y189-K191 HydrophobicContact CD1-CB 4.4Å; Y189-K191 HydrophobicContact CE1-CB 4.03Å; Y189-K191 HydrophobicContact CE1-CG 4.29Å; Y189-K191 PolarHBondContact O-N 3.39Å; Y189-Q194 HydrophobicContact CE2-CB 4.17Å; Y189-Q194 WeakPolarHBondContact OH-CB 3.47Å; Y189-Q194 WeakPolarHBondContact OH-CG 3.47Å; Y189-T195 WeakPolarHBondContact CD2-O 3.27Å; Y189-T196 HydrophobicContact CD2-CG2 3.96Å
190H90.4Very high93.6Very high7 Ų726.6 Ų26.63%0.03214%0.143CC..EExtended strand (participates in β ladder)trans-90.788.2178.7-173.661.6000109.6Y188 P192 R193 Q194 T195 D458Y188-H190 HydrophobicContact CD1-CB 4.39Å; Y188-H190 HydrophobicContact CE1-CB 3.61Å; Y188-H190 PolarHBondContact OH-ND1 2.93Å; H190-P192 VanDerWaalsContact C-CD 3.42Å; H190-R193 PolarHBondContact O-N 3.4Å; H190-Q194 PolarHBondContact O-N 3.39Å; H190-T195 WeakPolarHBondContact CB-OG1 3.39Å; H190-T195 PolarHBondContact N-O 3.01Å; H190-T195 PolarHBondContact O-N 3.39Å; H190-D458 IonicContact CE1-OD1 3.48Å; H190-D458 IonicContact NE2-OD1 2.83Å; H190-D458 PolarHBondContact NE2-OD1 3.41Å
191K85.2Confident93.6Very high112 Ų11224.4 Ų24.449%0.48712%0.12SC..G310 helixtrans-49.1-46.1-175.6-172.5-161.1-156.4155.50114.6E134 Y189 R193 Q194E134-K191 IonicContact OE1-NZ 3.43Å; E134-K191 PolarHBondContact OE1-NZ 3.42Å; E134-K191 WeakPolarHBondContact OE2-CD 3.2Å; E134-K191 WeakPolarHBondContact OE2-CE 3.32Å; E134-K191 IonicContact OE2-NZ 3.95Å; E134-K191 PolarHBondContact OE2-NZ 2.96Å; Y189-K191 HydrophobicContact CD1-CB 4.4Å; Y189-K191 HydrophobicContact CE1-CB 4.03Å; Y189-K191 HydrophobicContact CE1-CG 4.29Å; Y189-K191 PolarHBondContact O-N 3.39Å; K191-R193 PolarHBondContact O-N 2.96Å; K191-Q194 PolarHBondContact O-N 2.81Å; K191-Q194 VanDerWaalsContact O-N 3.1Å
192P82.7Confident93.4Very high91 Ų9123.9 Ų23.959%0.59112%0.115SC*.G310 helixtrans-55.8-31-176.3-27.136.4000114H190H190-P192 VanDerWaalsContact C-CD 3.42Å
193R82.5Confident93.1Very high82 Ų8223.8 Ų23.831%0.30912%0.115SC..G310 helixtrans-110.8-2.8178.4-54.6-50.9-164.6154.825.2114.7H190 K191 T195 L457 D458 L460H190-R193 PolarHBondContact O-N 3.4Å; K191-R193 PolarHBondContact O-N 2.96Å; R193-T195 HydrophobicContact CB-CG2 3.77Å; R193-T195 PolarHBondContact O-N 3.45Å; R193-L457 WeakPolarHBondContact CG-O 3.4Å; R193-D458 WeakPolarHBondContact CG-O 3.43Å; R193-D458 VanDerWaalsContact CZ-O 3.27Å; R193-D458 PolarHBondContact NE-O 2.76Å; R193-D458 PolarHBondContact NH2-O 3.39Å; R193-L460 VanDerWaalsContact NH2-CA 3.33Å; R193-L460 VanDerWaalsContact NH2-CG 3.34Å
194Q87Confident92.6Very high124 Ų12425.7 Ų25.758%0.57913%0.125SC*.THydrogen-bonded Turntrans52.834.7-171.2-48.6-177.729.600112.4Y189 H190 K191Y189-Q194 HydrophobicContact CE2-CB 4.17Å; Y189-Q194 WeakPolarHBondContact OH-CB 3.47Å; Y189-Q194 WeakPolarHBondContact OH-CG 3.47Å; H190-Q194 PolarHBondContact O-N 3.39Å; K191-Q194 PolarHBondContact O-N 2.81Å; K191-Q194 VanDerWaalsContact O-N 3.1Å
195T90.3Very high91.5Very high1 Ų128.2 Ų28.21%0.00614%0.137CC..EExtended strand (participates in β ladder)trans-99.9151.6179.451.20000110.5Y189 H190 R193 L457 G495Y189-T195 WeakPolarHBondContact CD2-O 3.27Å; H190-T195 WeakPolarHBondContact CB-OG1 3.39Å; H190-T195 PolarHBondContact N-O 3.01Å; H190-T195 PolarHBondContact O-N 3.39Å; R193-T195 HydrophobicContact CB-CG2 3.77Å; R193-T195 PolarHBondContact O-N 3.45Å; T195-L457 PolarHBondContact OG1-O 3.03Å; T195-L457 VanDerWaalsContact OG1-O 3.1Å; T195-G495 VanDerWaalsContact CG2-O 3.25Å; T195-G495 WeakPolarHBondContact CG2-O 3Å
196T94.8Very high89.6Confident2 Ų230.5 Ų30.51%0.01215%0.15CC..EExtended strand (participates in β ladder)trans-115.5142.5-177.647.90000111.4W141 L186 Y189 C497 V498W141-T196 HydrophobicContact CH2-CG2 3.98Å; W141-T196 HydrophobicContact CZ2-CG2 3.62Å; L186-T196 HydrophobicContact CD1-CG2 3.72Å; Y189-T196 HydrophobicContact CD2-CG2 3.96Å; T196-C497 CarbonylContact O-C 3.32Å; T196-C497 WeakPolarHBondContact O-CA 3.27Å; T196-C497 PolarHBondContact OG1-SG 3.27Å; T196-V498 PolarHBondContact O-N 3.43Å
197L97.3Very high87.1Confident0 Ų034.5 Ų34.50%017%0.168CC..EExtended strand (participates in β ladder)trans-107123171.3176.764.8000108.8L187 Y188 L457 V498 V500 A513 I516 Q517L187-L197 PolarHBondContact N-O 2.99Å; Y188-L197 HydrophobicContact CD1-CB 4.23Å; Y188-L197 HydrophobicContact CD1-CD2 4.48Å; Y188-L197 PolarHBondContact N-O 2.81Å; Y188-L197 PolarHBondContact O-N 3.32Å; L197-L457 HydrophobicContact CB-CD1 4.09Å; L197-L457 HydrophobicContact CD1-CD1 4.37Å; L197-V498 CarbonylContact C-O 3.52Å; L197-V498 WeakPolarHBondContact CA-O 3.38Å; L197-V498 HydrophobicContact CD1-CB 4.05Å; L197-V498 HydrophobicContact CD1-CG1 3.92Å; L197-V500 HydrophobicContact CD1-CG2 3.79Å; L197-A513 HydrophobicContact CD2-CB 4.23Å; L197-I516 HydrophobicContact CD1-CD1 3.94Å; L197-I516 HydrophobicContact CD1-CG2 4.49Å; L197-I516 HydrophobicContact CD2-CB 4.08Å; L197-I516 HydrophobicContact CD2-CG2 3.82Å; L197-Q517 HydrophobicContact CD2-CG 4Å
198L98.2Very high84.5Confident2 Ų237.1 Ų37.11%0.0119%0.188CC..EExtended strand (participates in β ladder)trans-126.7161.7178.4-53.492.8000110.9P184 L185 L186 I267 V498 I499 V500P184-L198 HydrophobicContact CB-CD2 4.09Å; L185-L198 CarbonylContact O-C 3.52Å; L185-L198 WeakPolarHBondContact O-CA 3.27Å; L185-L198 VanDerWaalsContact O-CB 3.31Å; L185-L198 WeakPolarHBondContact O-CB 3.44Å; L186-L198 HydrophobicContact CB-CD2 4.47Å; L186-L198 HydrophobicContact CD1-CG 4.25Å; L198-I267 HydrophobicContact CD1-CG2 3.81Å; L198-I267 HydrophobicContact CD2-CD1 3.8Å; L198-I267 HydrophobicContact CD2-CG1 4.37Å; L198-I267 HydrophobicContact CD2-CG2 4.21Å; L198-V498 PolarHBondContact N-O 3.09Å; L198-I499 HydrophobicContact CB-CG1 4.12Å; L198-I499 HydrophobicContact CD1-CG1 4.2Å; L198-I499 CarbonylContact O-C 3.55Å; L198-I499 WeakPolarHBondContact O-CA 3.39Å; L198-V500 PolarHBondContact O-N 3Å
199I97.8Very high81.5Confident0 Ų041 Ų410%021%0.213CC..EExtended strand (participates in β ladder)trans-119.3151.7168.656.1165.4000110.9P184 L185 L187 V500 A509 I510 A513 A541P184-I199 CarbonylContact C-O 3.46Å; P184-I199 WeakPolarHBondContact CA-O 3.16Å; L185-I199 HydrophobicContact CB-CG1 4.07Å; L185-I199 HydrophobicContact CD2-CD1 4.33Å; L185-I199 PolarHBondContact N-O 3.34Å; L185-I199 PolarHBondContact O-N 3.15Å; L187-I199 HydrophobicContact CD1-CB 4.18Å; L187-I199 HydrophobicContact CD1-CD1 4.03Å; L187-I199 HydrophobicContact CD1-CG1 3.83Å; L187-I199 HydrophobicContact CD1-CG2 3.39Å; L187-I199 HydrophobicContact CD2-CD1 4.23Å; L187-I199 HydrophobicContact CD2-CG1 4.24Å; L187-I199 HydrophobicContact CG-CD1 4.42Å; L187-I199 HydrophobicContact CG-CG1 4.02Å; L187-I199 HydrophobicContact CG-CG2 4.34Å; I199-V500 WeakPolarHBondContact CA-O 3.4Å; I199-V500 HydrophobicContact CG2-CB 4.23Å; I199-A509 HydrophobicContact CG2-CB 4.38Å; I199-I510 HydrophobicContact CD1-CG1 4.4Å; I199-A513 HydrophobicContact CG2-CB 3.72Å; I199-A541 HydrophobicContact CD1-CB 3.62Å
200T97Very high78.6Confident0 Ų046.1 Ų46.10%024%0.24CC..EExtended strand (participates in β ladder)trans-154.7161.2172.4-166.10000111.8R182 I499 V500 Q501 G505R182-T200 PolarHBondContact O-OG1 3.22Å; T200-I499 HydrophobicContact CG2-CG2 3.4Å; T200-I499 VanDerWaalsContact CG2-CG2 3.4Å; T200-V500 PolarHBondContact N-O 3.03Å; T200-V500 VanDerWaalsContact N-O 3.09Å; T200-Q501 HydrophobicContact CG2-CB 4.14Å; T200-Q501 HydrophobicContact CG2-CG 4.06Å; T200-G505 WeakPolarHBondContact O-CA 3.48Å
201A95.7Very high75.6Confident0 Ų051.2 Ų51.20%027%0.272CS..EExtended strand (participates in β ladder)trans-88.2170.716800000112.1R178 H179 R182 S502 K504R178-A201 VanDerWaalsContact CD-O 3.3Å; R178-A201 WeakPolarHBondContact CD-O 3.31Å; R178-A201 PolarHBondContact NH1-O 3.27Å; H179-A201 HydrophobicContact CB-CB 4Å; H179-A201 VanDerWaalsContact O-CB 3.31Å; H179-A201 WeakPolarHBondContact O-CB 3.5Å; R182-A201 HydrophobicContact CB-CB 3.69Å; R182-A201 PolarHBondContact O-N 3.38Å; A201-S502 WeakPolarHBondContact CA-O 3.47Å; A201-K504 VanDerWaalsContact CB-C 3.45Å
202E91.8Very high72.7Confident1 Ų153 Ų531%0.00529%0.286CS..PPolyproline II helixtrans-69.1155.5176.279.4-173.5179.700112.4H179 R280 S292 G293 S502 R503H179-E202 HydrophobicContact CB-CG 4.24Å; H179-E202 WeakPolarHBondContact CB-O 3.25Å; H179-E202 PolarHBondContact N-O 2.89Å; E202-R280 WeakPolarHBondContact OE2-CD 3.37Å; E202-R280 IonicContact OE2-CZ 3.39Å; E202-R280 IonicContact OE2-NE 2.89Å; E202-R280 IonicContact OE2-NH1 3.51Å; E202-R280 PolarHBondContact OE2-NH1 2.95Å; E202-S292 WeakPolarHBondContact OE1-CB 3.38Å; E202-S292 PolarHBondContact OE1-OG 2.7Å; E202-G293 PolarHBondContact OE1-N 2.87Å; E202-G293 VanDerWaalsContact OE1-N 3.13Å; E202-S502 PolarHBondContact N-O 3.35Å; E202-R503 WeakPolarHBondContact CG-O 3.48Å; E202-R503 PolarHBondContact N-O 3.14Å
203P90.1Very high70Confident3 Ų355.9 Ų55.92%0.01930%0.297CS..BIsolated β-bridgetrans-73146.8172.122.7-25.7000112.9F177 L294 E296F177-P203 HydrophobicContact CD1-CB 3.99Å; F177-P203 HydrophobicContact CE1-CB 3.33Å; F177-P203 HydrophobicContact CE1-CG 4.38Å; F177-P203 HydrophobicContact CE2-CB 4.01Å; F177-P203 HydrophobicContact CZ-CB 3.33Å; F177-P203 HydrophobicContact CZ-CG 4.4Å; F177-P203 WeakPolarHBondContact O-CA 3.42Å; P203-L294 HydrophobicContact CB-CB 4.32Å; P203-L294 HydrophobicContact CG-CB 3.86Å; P203-E296 WeakPolarHBondContact CD-OE1 3.46Å; P203-E296 HydrophobicContact CG-CG 4.26Å
204L85.5Confident67.3Low42 Ų4260.3 Ų60.322%0.2232%0.321CS..BIsolated β-bridgetrans-91.3157.8178.9-62.1175.3000111.9F177 H179 T291 L294F177-L204 WeakPolarHBondContact O-CB 3.31Å; F177-L204 PolarHBondContact O-N 2.75Å; H179-L204 HydrophobicContact CB-CD2 3.83Å; H179-L204 HydrophobicContact CB-CG 4.4Å; L204-T291 WeakPolarHBondContact CD2-O 3.13Å; L204-L294 WeakPolarHBondContact O-CD1 3.34Å
205I73.3Confident64.4Low60 Ų6061.5 Ų61.531%0.30833%0.331SS..  trans-117.7133.6171.5-168.3168.4000110.4L294I205-L294 HydrophobicContact CB-CD1 4.05Å; I205-L294 HydrophobicContact CB-CG 4.22Å; I205-L294 HydrophobicContact CD1-CD2 4.29Å
206N57.9Low61.2Low57 Ų5768.2 Ų68.231%0.30537%0.373SS..  trans-90.9137.4171.9-80.9-7.7000111.3S250N206-S250 PolarHBondContact ND2-O 3.48Å; N206-S250 PolarHBondContact ND2-OG 3.25Å
207Q44.9Very low57.9Low99 Ų9974.1 Ų74.146%0.46341%0.409SS..  trans-92.226.7180-70.4-166.3-11.600114.8T209 A290Q207-T209 PolarHBondContact O-N 3.3Å; Q207-T209 VanDerWaalsContact O-N 3.07Å; Q207-A290 WeakPolarHBondContact CG-O 3.43Å; Q207-A290 PolarHBondContact NE2-O 2.76Å
208S42.8Very low54.5Low71 Ų7179.5 Ų79.550%0.49744%0.444SS..THydrogen-bonded Turntrans-67.3-7.617751.80000114N253S208-N253 PolarHBondContact OG-OD1 2.88Å
209T32.3Very low50.9Low92 Ų9287.9 Ų87.956%0.56449%0.488SS*.THydrogen-bonded Turntrans-106.7-4-177.746.70000116.1Q207Q207-T209 PolarHBondContact O-N 3.3Å; Q207-T209 VanDerWaalsContact O-N 3.07Å
210I33Very low47.3Very low123 Ų12394.9 Ų94.963%0.63153%0.525SS*.THydrogen-bonded Turntrans-91.8-14.7176.3-60.9175.8000112.5
211T27.6Very low43.9Very low114 Ų114100.8 Ų100.870%0.69957%0.565SS**THydrogen-bonded Turntrans-106.252.9174.162.50000112.3
212N25.2Very low40.5Very low148 Ų148105.5 Ų105.579%0.79160%0.599SS**THydrogen-bonded Turntrans-121.117157.2-100.1-3.3000112.3
213N25.8Very low37.2Very low152 Ų152113.4 Ų113.481%0.81364%0.641SS**SBendtrans-95.8106.8161-81.1-14.9000109
214Q25.9Very low34.1Very low175 Ų175118.6 Ų118.682%0.81868%0.677SS**SBendtrans-17.8130.9168.9-60.2172.91.900115.3
215N24.6Very low31Very low149 Ų149121.8 Ų121.880%0.79770%0.703SS**  trans65.578.2158.7-57.2-17.9000117.6
216T24.4Very low28.8Very low143 Ų143126.5 Ų126.588%0.87773%0.728SS**  trans-164.8135.113341.40000110.8
217T25.4Very low27.1Very low126 Ų126129.4 Ų129.477%0.77375%0.748SS**  trans-52.7147.8175.244.50000113.8L219T217-L219 PolarHBondContact O-N 2.97Å
218P26Very low26Very low113 Ų113129.5 Ų129.573%0.73476%0.76SS**  trans-66.4126.6-174.726.8-32.7000111.7L220P218-L220 VanDerWaalsContact C-N 3.31Å; P218-L220 PolarHBondContact O-N 2.89Å
219L21.5Very low25.1Very low177 Ų177131.2 Ų131.293%0.92777%0.772SS**  trans-64.287.2169.4-74.4156.4000109.4T217 S221T217-L219 PolarHBondContact O-N 2.97Å; L219-S221 PolarHBondContact O-N 3.43Å
220L23.5Very low24.6Very low148 Ų148133.5 Ų133.578%0.77579%0.786SS**  trans-64.7117.9152.3-95.689.6000106.8P218 S222P218-L220 VanDerWaalsContact C-N 3.31Å; P218-L220 PolarHBondContact O-N 2.89Å; L220-S222 PolarHBondContact O-N 3.5Å
221S25.8Very low24.1Very low123 Ų123136.9 Ų136.986%0.8680%0.796SS**  trans-62.887.4164.4540000109L219 N223L219-S221 PolarHBondContact O-N 3.43Å; S221-N223 PolarHBondContact O-N 3.21Å
222S23Very low23.8Very low100 Ų100136.3 Ų136.370%0.69980%0.796SS**  trans-66115.8162.647.40000109.3L220L220-S222 PolarHBondContact O-N 3.5Å
223N22.9Very low23.6Very low167 Ų167135.9 Ų135.989%0.89379%0.794SS**  trans-135.366.6156-109.36.2000108.7S221S221-N223 PolarHBondContact O-N 3.21Å
224S25Very low23.5Very low111 Ų111135.5 Ų135.578%0.77679%0.792SS**SBendtrans-166.6119.1147.347.80000109.5
225S20.8Very low23.3Very low109 Ų109134.9 Ų134.976%0.76279%0.793SS**  trans-48.6129.5167.643.50000112.6
226L26.2Very low23.1Very low160 Ų160134.8 Ų134.884%0.83879%0.791SS**  trans-166.3110.6143.1-121.583.2000112
227T23.2Very low23.1Very low117 Ų117135.7 Ų135.772%0.71879%0.789SS**  trans28.1111.613860.60000122
228S21.6Very low22.8Very low102 Ų102136 Ų13671%0.71379%0.786SS**  48.3127.3125.264.50000123.3
229S22.6Very low22.6Very low107 Ų107135.8 Ų135.875%0.74879%0.787SS**  trans74.1132146.377.40000115.6
230T23.5Very low22.7Very low140 Ų140132.6 Ų132.686%0.85978%0.78SS**  cis-156.6166.833.726.90000111.4
231K21.8Very low22.7Very low194 Ų194130.8 Ų130.884%0.84378%0.78SS**  trans-54.6155.1-177.6-65.9167172.3174.50117.2
232S21Very low22.8Very low101 Ų101134.4 Ų134.471%0.70678%0.78SS**  trans85.5129.7133.961.50000122.5
233N21.7Very low22.8Very low139 Ų139138 Ų13874%0.74379%0.791SS**  trans90.6108.1145-65.5-7.9000120.3
234N22.4Very low23Very low145 Ų145134.4 Ų134.478%0.77578%0.779SS**  trans33.4118.2131.9-61.1-12.5000118.8
235L22.7Very low23.1Very low161 Ų161137 Ų13784%0.84378%0.783SS**  -178.9149.4106-132.379.6000112.3
236I20.4Very low23.4Very low147 Ų147138.5 Ų138.575%0.75478%0.781SS**  trans-60.7130.8173.5-63.5153.3000110.9
237I24.1Very low23.9Very low162 Ų162136.4 Ų136.483%0.83178%0.778SS**  trans-130.1112.8162.5-60.9-178.9000109
238N18.7Very low24.4Very low132 Ų132139.2 Ų139.271%0.70678%0.78SS**  trans-68.8149166.9-85.1-22.7000111.5
239S21.9Very low25Very low109 Ų109139.6 Ų139.676%0.76278%0.783SS**  trans52.6105.1146.262.80000118.8
240S23Very low26Very low110 Ų110135.7 Ų135.777%0.76976%0.756SS**  174.1129111.155.20000111
241S24.5Very low27Very low110 Ų110134.5 Ų134.577%0.76975%0.748SS**  trans60.688.6146.9-50.60000118.3
242K27.7Very low28.5Very low199 Ų199126.5 Ų126.587%0.86571%0.713SS**  trans-162.5100.8139.6-102160.9-165.5-176.10107.4S244K242-S244 PolarHBondContact O-N 2.93Å
243N23.2Very low30Very low175 Ų175126.2 Ų126.294%0.93670%0.704SS**  trans-5984.4171.4-78.3-13.1000109.3
244S26.2Very low32Very low93 Ų93124.2 Ų124.265%0.6570%0.697SS**  trans-94.7114.1156.851.40000105.3K242 L246K242-S244 PolarHBondContact O-N 2.93Å; S244-L246 VanDerWaalsContact C-N 3.3Å; S244-L246 PolarHBondContact O-N 3.43Å
245I26.9Very low34.4Very low165 Ų165118.1 Ų118.185%0.84667%0.668SS**  trans-64.294179.3-62.1165.4000106.6
246L27.6Very low37.3Very low140 Ų140114.9 Ų114.973%0.73365%0.645SS**  trans-64.6133.8161.4-69.8169.1000106.8S244 F248S244-L246 VanDerWaalsContact C-N 3.3Å; S244-L246 PolarHBondContact O-N 3.43Å; L246-F248 PolarHBondContact O-N 2.83Å
247P36.1Very low40.7Very low117 Ų117108 Ų10876%0.7661%0.609SS**  trans-61.9115.9179.324.6-30.2000108.2S249P247-S249 PolarHBondContact O-N 2.72Å
248F34Very low43.9Very low176 Ų176107.3 Ų107.377%0.77260%0.597SS**  trans-43.4122.3173.2-105.6-97.5000109.3L246 S250L246-F248 PolarHBondContact O-N 2.83Å; F248-S250 PolarHBondContact O-N 2.82Å
249S35.2Very low47.5Very low109 Ų109102.3 Ų102.376%0.76257%0.572SS**  trans-65.8100.2-178.668.40000109.9P247P247-S249 PolarHBondContact O-N 2.72Å
250S44.4Very low51Low26 Ų2697.1 Ų97.118%0.18254%0.535CS..  trans-79.1125.216655.30000109N206 F248 F252N206-S250 PolarHBondContact ND2-O 3.48Å; N206-S250 PolarHBondContact ND2-OG 3.25Å; F248-S250 PolarHBondContact O-N 2.82Å; S250-F252 VanDerWaalsContact CB-CE2 3.4Å; S250-F252 PolarHBondContact O-N 3Å; S250-F252 WeakPolarHBondContact OG-CD2 3.42Å; S250-F252 WeakPolarHBondContact OG-CE2 3.45Å
251T43.2Very low54.4Low115 Ų11592.3 Ų92.371%0.70650%0.501SS*.  trans-83.551.4-171.8-21.80000112N253T251-N253 PolarHBondContact O-N 3.38Å; T251-N253 VanDerWaalsContact O-N 3.1Å
252F54.6Low57.7Low25 Ų2590.9 Ų90.911%0.1148%0.482CS..  trans-83.779.8177.8-57.4-58.6000111.1R176 F177 S250 T254 R256 C257R176-F252 HydrophobicContact CB-CE2 4.37Å; F177-F252 HydrophobicContact CB-CE2 4.12Å; F177-F252 HydrophobicContact CB-CZ 4.14Å; F177-F252 HydrophobicContact CD2-CD2 4.27Å; F177-F252 HydrophobicContact CD2-CE2 4.44Å; F177-F252 HydrophobicContact CD2-CG 4.32Å; S250-F252 VanDerWaalsContact CB-CE2 3.4Å; S250-F252 PolarHBondContact O-N 3Å; S250-F252 WeakPolarHBondContact OG-CD2 3.42Å; S250-F252 WeakPolarHBondContact OG-CE2 3.45Å; F252-T254 VanDerWaalsContact C-N 3.34Å; F252-T254 PolarHBondContact O-N 3.46Å; F252-R256 WeakPolarHBondContact CD1-O 3.39Å; F252-C257 HydrophobicContact CD1-CB 4.14Å; F252-C257 HydrophobicContact CE1-CB 3.75Å; F252-C257 VanDerWaalsContact CE1-SG 3.55Å; F252-C257 HydrophobicContact CZ-CB 4.35Å
253N52.6Low60.9Low95 Ų9581.6 Ų81.651%0.50844%0.442SS..THydrogen-bonded Turntrans-73-18.3-177.2-79.3-15.9000114.7S208 T251S208-N253 PolarHBondContact OG-OD1 2.88Å; T251-N253 PolarHBondContact O-N 3.38Å; T251-N253 VanDerWaalsContact O-N 3.1Å
254T62.8Low64.4Low98 Ų9873.2 Ų73.260%0.60140%0.397SS*.THydrogen-bonded Turntrans-124.515.6-167.952.80000114.8F252 R256F252-T254 VanDerWaalsContact C-N 3.34Å; F252-T254 PolarHBondContact O-N 3.46Å; T254-R256 PolarHBondContact O-N 2.91Å; T254-R256 VanDerWaalsContact OG1-CB 3.27Å; T254-R256 WeakPolarHBondContact OG1-CB 3.33Å
255G73.6Confident67.6Low16 Ų1671.4 Ų71.417%0.16538%0.384CS..SBendtrans60.927.5-172.800000112.4F177F177-G255 WeakPolarHBondContact CZ-O 3.47Å
256R83.6Confident70.7Confident93 Ų9364.9 Ų64.935%0.35135%0.353SS..  trans-128136.9-172.8-167.4-177.6177.3-1760.1108.8F252 T254 E261 Y300F252-R256 WeakPolarHBondContact CD1-O 3.39Å; T254-R256 PolarHBondContact O-N 2.91Å; T254-R256 VanDerWaalsContact OG1-CB 3.27Å; T254-R256 WeakPolarHBondContact OG1-CB 3.33Å; R256-E261 WeakPolarHBondContact CD-OE1 3.38Å; R256-E261 WeakPolarHBondContact CG-OE1 3.48Å; R256-E261 IonicContact CZ-OE1 3.64Å; R256-E261 IonicContact CZ-OE2 3.5Å; R256-E261 IonicContact NE-OE1 2.63Å; R256-E261 PolarHBondContact NE-OE1 3.05Å; R256-E261 IonicContact NE-OE2 3.38Å; R256-E261 IonicContact NH2-OE1 2.87Å; R256-E261 PolarHBondContact NH2-OE1 2.86Å; R256-E261 IonicContact NH2-OE2 3.53Å; R256-E261 PolarHBondContact NH2-OE2 3.15Å; R256-Y300 HydrophobicContact CG-CD1 4.4Å; R256-Y300 HydrophobicContact CG-CG 4.38Å
257C90.2Very high73.9Confident2 Ų258.6 Ų58.61%0.01432%0.32CS..  trans-129.8109.6174.51780000109.1F177 F252 S259 D260 E261F177-C257 HydrophobicContact CB-CB 3.86Å; F177-C257 HydrophobicContact CD1-CB 3.48Å; F177-C257 VanDerWaalsContact CD1-CB 3.48Å; F177-C257 HydrophobicContact CD2-CB 3.72Å; F177-C257 HydrophobicContact CE1-CB 3.83Å; F177-C257 HydrophobicContact CE2-CB 4.09Å; F177-C257 HydrophobicContact CG-CB 3.39Å; F177-C257 HydrophobicContact CZ-CB 4.13Å; F252-C257 HydrophobicContact CD1-CB 4.14Å; F252-C257 HydrophobicContact CE1-CB 3.75Å; F252-C257 VanDerWaalsContact CE1-SG 3.55Å; F252-C257 HydrophobicContact CZ-CB 4.35Å; C257-S259 VanDerWaalsContact C-N 3.28Å; C257-S259 PolarHBondContact O-N 3.2Å; C257-D260 HydrophobicContact CB-CB 3.71Å; C257-D260 PolarHBondContact O-N 3.16Å; C257-D260 PolarHBondContact SG-N 3.19Å; C257-D260 VanDerWaalsContact SG-N 3.37Å; C257-E261 WeakPolarHBondContact O-CG 3.44Å; C257-E261 PolarHBondContact O-N 3.33Å
258R92.4Very high76.6Confident149 Ų14953.4 Ų53.456%0.56229%0.286SS*.Hα-helixtrans-63-37.8-177.7-173.157173.2164.12.8112E261 Q262R258-E261 WeakPolarHBondContact CD-OE2 3.46Å; R258-E261 IonicContact CZ-OE2 2.98Å; R258-E261 IonicContact NH1-OE2 3.25Å; R258-E261 PolarHBondContact NH1-OE2 3.45Å; R258-E261 WeakPolarHBondContact O-CB 3.49Å; R258-E261 PolarHBondContact O-N 3.4Å; R258-Q262 VanDerWaalsContact O-CG 3.26Å; R258-Q262 WeakPolarHBondContact O-CG 3.41Å; R258-Q262 PolarHBondContact O-N 2.84Å; R258-Q262 PolarHBondContact O-OE1 3.44Å
259S94.7Very high79Confident26 Ų2647.1 Ų47.118%0.18226%0.263CS..Hα-helixtrans-62.9-40.9175-66.70000112.7E173 C257 Q262 L263E173-S259 VanDerWaalsContact CB-CB 3.49Å; C257-S259 VanDerWaalsContact C-N 3.28Å; C257-S259 PolarHBondContact O-N 3.2Å; S259-Q262 PolarHBondContact O-N 3.1Å; S259-L263 VanDerWaalsContact O-CB 3.3Å; S259-L263 WeakPolarHBondContact O-CB 3.21Å; S259-L263 PolarHBondContact O-N 3.38Å
260D94.5Very high81.1Confident0 Ų048 Ų480%026%0.259CS..Hα-helixtrans-65.9-42.2174.9-172.286.4000111.4S174 F177 R178 C257 Q262 L263 L264 Y301S174-D260 WeakPolarHBondContact CB-OD1 3.39Å; S174-D260 PolarHBondContact OG-OD1 3Å; F177-D260 HydrophobicContact CD1-CB 3.89Å; F177-D260 HydrophobicContact CE1-CB 4.37Å; R178-D260 IonicContact CZ-OD1 2.82Å; R178-D260 IonicContact CZ-OD2 3.68Å; R178-D260 IonicContact NE-OD1 3.74Å; R178-D260 PolarHBondContact NE-OD1 2.93Å; R178-D260 IonicContact NE-OD2 3.61Å; R178-D260 IonicContact NH2-OD1 3.32Å; R178-D260 IonicContact NH2-OD2 3.66Å; R178-D260 PolarHBondContact NH2-OD2 3.21Å; C257-D260 HydrophobicContact CB-CB 3.71Å; C257-D260 PolarHBondContact O-N 3.16Å; C257-D260 PolarHBondContact SG-N 3.19Å; C257-D260 VanDerWaalsContact SG-N 3.37Å; D260-Q262 PolarHBondContact O-N 3.13Å; D260-L263 WeakPolarHBondContact O-CB 3.35Å; D260-L263 PolarHBondContact O-N 3.41Å; D260-L264 WeakPolarHBondContact O-CG 3.47Å; D260-L264 PolarHBondContact O-N 3.2Å; D260-Y301 WeakPolarHBondContact OD2-CE1 3.42Å; D260-Y301 PolarHBondContact OD2-OH 2.87Å
261E94.2Very high82.7Confident10 Ų1057.1 Ų57.15%0.04730%0.295CS..Hα-helixtrans-59.1-45.7173.9-68.8167.5-161.700112.3R256 C257 R258 L264 S265 Y300 Y301R256-E261 WeakPolarHBondContact CD-OE1 3.38Å; R256-E261 WeakPolarHBondContact CG-OE1 3.48Å; R256-E261 IonicContact CZ-OE1 3.64Å; R256-E261 IonicContact CZ-OE2 3.5Å; R256-E261 IonicContact NE-OE1 2.63Å; R256-E261 PolarHBondContact NE-OE1 3.05Å; R256-E261 IonicContact NE-OE2 3.38Å; R256-E261 IonicContact NH2-OE1 2.87Å; R256-E261 PolarHBondContact NH2-OE1 2.86Å; R256-E261 IonicContact NH2-OE2 3.53Å; R256-E261 PolarHBondContact NH2-OE2 3.15Å; C257-E261 WeakPolarHBondContact O-CG 3.44Å; C257-E261 PolarHBondContact O-N 3.33Å; R258-E261 WeakPolarHBondContact CD-OE2 3.46Å; R258-E261 IonicContact CZ-OE2 2.98Å; R258-E261 IonicContact NH1-OE2 3.25Å; R258-E261 PolarHBondContact NH1-OE2 3.45Å; R258-E261 WeakPolarHBondContact O-CB 3.49Å; R258-E261 PolarHBondContact O-N 3.4Å; E261-L264 PolarHBondContact O-N 3.4Å; E261-S265 WeakPolarHBondContact O-CB 3.27Å; E261-S265 PolarHBondContact O-N 2.97Å; E261-Y300 WeakPolarHBondContact CG-O 3.2Å; E261-Y301 HydrophobicContact CB-CE1 4.29Å; E261-Y301 HydrophobicContact CG-CD1 4.15Å; E261-Y301 HydrophobicContact CG-CE1 3.77Å
262Q94.5Very high84.5Confident79 Ų7953.3 Ų53.337%0.36927%0.273SS..Hα-helixtrans-69.7-38.6179.4-64.6171-60.500111.2M170 R258 S259 D260 L264 S265 C266M170-Q262 HydrophobicContact CE-CB 3.15Å; M170-Q262 HydrophobicContact CE-CG 4.22Å; R258-Q262 VanDerWaalsContact O-CG 3.26Å; R258-Q262 WeakPolarHBondContact O-CG 3.41Å; R258-Q262 PolarHBondContact O-N 2.84Å; R258-Q262 PolarHBondContact O-OE1 3.44Å; S259-Q262 PolarHBondContact O-N 3.1Å; D260-Q262 PolarHBondContact O-N 3.13Å; Q262-L264 VanDerWaalsContact C-N 3.33Å; Q262-L264 PolarHBondContact O-N 3.06Å; Q262-S265 WeakPolarHBondContact O-CB 3.4Å; Q262-S265 PolarHBondContact O-N 3.02Å; Q262-S265 VanDerWaalsContact O-N 3.16Å; Q262-C266 PolarHBondContact O-N 3.34Å; Q262-C266 PolarHBondContact O-SG 3.39Å; Q262-C266 VanDerWaalsContact O-SG 3.33Å
263L95.7Very high86.1Confident4 Ų459.4 Ų59.42%0.02130%0.295CS..Hα-helixtrans-56.3-48.8172.9174.665.7000110.8C166 I171 S174 P184 S259 D260 S265 C266 I267C166-L263 HydrophobicContact CB-CD1 4.07Å; C166-L263 VanDerWaalsContact SG-CD1 3.57Å; I171-L263 HydrophobicContact CG1-CD1 4.3Å; S174-L263 WeakPolarHBondContact OG-CD2 3.45Å; P184-L263 HydrophobicContact CG-CD2 4.27Å; S259-L263 VanDerWaalsContact O-CB 3.3Å; S259-L263 WeakPolarHBondContact O-CB 3.21Å; S259-L263 PolarHBondContact O-N 3.38Å; D260-L263 WeakPolarHBondContact O-CB 3.35Å; D260-L263 PolarHBondContact O-N 3.41Å; L263-S265 VanDerWaalsContact C-N 3.32Å; L263-S265 PolarHBondContact O-N 3.34Å; L263-C266 PolarHBondContact O-N 3.01Å; L263-I267 HydrophobicContact CG-CD1 4.46Å; L263-I267 WeakPolarHBondContact O-CG1 3.43Å; L263-I267 PolarHBondContact O-N 2.94Å
264L94.9Very high87.9Confident0 Ų054.9 Ų54.90%027%0.271CS..Hα-helixtrans-65.7-32.8177.1-70.6-161.7000112.9P184 D260 E261 Q262 I267 Y301 W304 I499P184-L264 HydrophobicContact CB-CD2 4.15Å; P184-L264 HydrophobicContact CG-CD2 3.48Å; P184-L264 VanDerWaalsContact CG-CD2 3.48Å; D260-L264 WeakPolarHBondContact O-CG 3.47Å; D260-L264 PolarHBondContact O-N 3.2Å; E261-L264 PolarHBondContact O-N 3.4Å; Q262-L264 VanDerWaalsContact C-N 3.33Å; Q262-L264 PolarHBondContact O-N 3.06Å; L264-I267 HydrophobicContact CD2-CD1 3.84Å; L264-Y301 HydrophobicContact CB-CD1 4.32Å; L264-Y301 HydrophobicContact CD1-CD1 3.65Å; L264-Y301 HydrophobicContact CD1-CE1 3.57Å; L264-Y301 HydrophobicContact CG-CD1 4.43Å; L264-Y301 HydrophobicContact CG-CE1 4.26Å; L264-W304 HydrophobicContact CB-CZ2 4.34Å; L264-W304 HydrophobicContact CD2-CZ2 4.45Å; L264-W304 VanDerWaalsContact O-CZ2 3.28Å; L264-W304 WeakPolarHBondContact O-CZ2 3.37Å; L264-W304 PolarHBondContact O-NE1 2.78Å; L264-I499 HydrophobicContact CD1-CD1 4.28Å; L264-I499 HydrophobicContact CD2-CD1 3.44Å; L264-I499 VanDerWaalsContact CD2-CD1 3.44Å
265S93.3Very high89.3Confident54 Ų5450.4 Ų50.438%0.37824%0.243SC..Hα-helixtrans-66.9-39.5173.3-170.80000111.9E261 Q262 L263 I267 L268 Q303E261-S265 WeakPolarHBondContact O-CB 3.27Å; E261-S265 PolarHBondContact O-N 2.97Å; Q262-S265 WeakPolarHBondContact O-CB 3.4Å; Q262-S265 PolarHBondContact O-N 3.02Å; Q262-S265 VanDerWaalsContact O-N 3.16Å; L263-S265 VanDerWaalsContact C-N 3.32Å; L263-S265 PolarHBondContact O-N 3.34Å; S265-I267 VanDerWaalsContact C-N 3.32Å; S265-I267 PolarHBondContact O-N 3.26Å; S265-L268 PolarHBondContact O-N 3.11Å; S265-Q303 PolarHBondContact OG-OE1 2.82Å
266C93.8Very high90.3Very high29 Ų2949.8 Ų49.820%0.19624%0.237CC..Hα-helixtrans-69.5-23.3179.5-72.10000114.5K165 C166 Q262 L263 L268K165-C266 HydrophobicContact CB-CB 4.12Å; C166-C266 WeakPolarHBondContact SG-CB 3.5Å; Q262-C266 PolarHBondContact O-N 3.34Å; Q262-C266 PolarHBondContact O-SG 3.39Å; Q262-C266 VanDerWaalsContact O-SG 3.33Å; L263-C266 PolarHBondContact O-N 3.01Å; C266-L268 VanDerWaalsContact C-N 3.31Å
267I94.1Very high90.8Very high7 Ų745.5 Ų45.54%0.03622%0.22CC..Hα-helixtrans-69.2-29.3178-74.6163.6000112.2W141 P163 P184 L198 L263 L264 S265 W304W141-I267 HydrophobicContact CH2-CG1 4.48Å; W141-I267 HydrophobicContact CH2-CG2 4.24Å; P163-I267 HydrophobicContact CG-CG1 4.01Å; P184-I267 HydrophobicContact CB-CD1 4.01Å; L198-I267 HydrophobicContact CD1-CG2 3.81Å; L198-I267 HydrophobicContact CD2-CD1 3.8Å; L198-I267 HydrophobicContact CD2-CG1 4.37Å; L198-I267 HydrophobicContact CD2-CG2 4.21Å; L263-I267 HydrophobicContact CG-CD1 4.46Å; L263-I267 WeakPolarHBondContact O-CG1 3.43Å; L263-I267 PolarHBondContact O-N 2.94Å; L264-I267 HydrophobicContact CD2-CD1 3.84Å; S265-I267 VanDerWaalsContact C-N 3.32Å; S265-I267 PolarHBondContact O-N 3.26Å; I267-W304 HydrophobicContact CB-CZ2 4.33Å; I267-W304 HydrophobicContact CG2-CH2 4.15Å; I267-W304 HydrophobicContact CG2-CZ2 4.15Å
268L91.7Very high91Very high9 Ų945.4 Ų45.45%0.04722%0.22CC..SBendtrans-80.8133.2-175.3-62.6178.4000111.3S265 C266 Q303 W304 C497S265-L268 PolarHBondContact O-N 3.11Å; C266-L268 VanDerWaalsContact C-N 3.31Å; L268-Q303 HydrophobicContact CD1-CB 3.46Å; L268-Q303 VanDerWaalsContact CD1-CB 3.46Å; L268-Q303 HydrophobicContact CD1-CG 4.4Å; L268-W304 HydrophobicContact CD1-CZ2 4.11Å; L268-W304 HydrophobicContact CD2-CH2 3.7Å; L268-W304 HydrophobicContact CD2-CZ2 3.48Å; L268-W304 VanDerWaalsContact CD2-CZ2 3.48Å; L268-W304 HydrophobicContact CD2-CZ3 4.4Å; L268-W304 HydrophobicContact CG-CH2 4.37Å; L268-W304 HydrophobicContact CG-CZ2 3.63Å; L268-C497 HydrophobicContact CD2-CB 3.69Å
269P85.2Confident91.1Very high44 Ų4438.3 Ų38.329%0.28619%0.193SC..PPolyproline II helixtrans-60159.4164.8-19.330.2000111.7K271 C272 C497P269-K271 PolarHBondContact O-N 3.11Å; P269-C272 HydrophobicContact CB-CB 4.2Å; P269-C272 HydrophobicContact CG-CB 4.35Å; P269-C272 WeakPolarHBondContact O-CB 3.49Å; P269-C272 PolarHBondContact O-N 2.81Å; P269-C272 VanDerWaalsContact O-N 3.09Å; P269-C497 VanDerWaalsContact CD-SG 3.59Å
270D79.8Confident91Very high128 Ų12837.3 Ų37.368%0.68419%0.185SC*.THydrogen-bonded Turntrans-59.2132-179.7-63.7-19000110.7K165 C272K165-D270 IonicContact NZ-OD1 3.08Å; K165-D270 PolarHBondContact NZ-OD1 3.4Å; D270-C272 PolarHBondContact O-N 3.26Å
271K76.6Confident90.8Very high216 Ų21638.4 Ų38.494%0.93919%0.192SC*.THydrogen-bonded Turntrans65.74.5-177.1-51.8175.5-179.4174.30115.9P269P269-K271 PolarHBondContact O-N 3.11Å
272C81.7Confident90.2Very high35 Ų3543.5 Ų43.524%0.23622%0.216CC..  trans-85.5156172.3-68.50000111.7P269 D270P269-C272 HydrophobicContact CB-CB 4.2Å; P269-C272 HydrophobicContact CG-CB 4.35Å; P269-C272 WeakPolarHBondContact O-CB 3.49Å; P269-C272 PolarHBondContact O-N 2.81Å; P269-C272 VanDerWaalsContact O-N 3.09Å; D270-C272 PolarHBondContact O-N 3.26Å
273R87.6Confident89.5Confident154 Ų15445.6 Ų45.658%0.58123%0.23SC*.  trans-109.1159.6170.5-72.4-173.8173.9176.3-3.3110S496 C497R273-S496 WeakPolarHBondContact O-CA 3.3Å; R273-S496 WeakPolarHBondContact O-CB 3.31Å; R273-S496 PolarHBondContact O-OG 3.09Å; R273-C497 PolarHBondContact O-N 3.24Å
274G91.7Very high88.9Confident0 Ų047.3 Ų47.30%024%0.237CC..EExtended strand (participates in β ladder)trans-110.5155.817500000112.4Q303 W304 R305 C497G274-Q303 PolarHBondContact N-O 3.09Å; G274-W304 WeakPolarHBondContact O-CA 3.19Å; G274-R305 PolarHBondContact O-N 2.73Å; G274-C497 CarbonylContact C-O 3.52Å; G274-C497 VanDerWaalsContact CA-O 3.28Å; G274-C497 WeakPolarHBondContact CA-O 3.34Å
275V92.3Very high88.1Confident3 Ų348.8 Ų48.82%0.01825%0.246CC..EExtended strand (participates in β ladder)trans-120.8127.5171.9176.90000109.1R305 V307 A456 L493 C497 V498 I499V275-R305 CarbonylContact C-O 3.08Å; V275-R305 WeakPolarHBondContact CA-O 3.48Å; V275-V307 HydrophobicContact CG1-CB 4.1Å; V275-V307 HydrophobicContact CG1-CG2 3.73Å; V275-A456 HydrophobicContact CG2-CB 4.16Å; V275-L493 HydrophobicContact CG2-CB 4.47Å; V275-L493 HydrophobicContact CG2-CD1 3.77Å; V275-L493 HydrophobicContact CG2-CD2 3.32Å; V275-L493 HydrophobicContact CG2-CG 4.01Å; V275-C497 PolarHBondContact N-O 3.01Å; V275-V498 HydrophobicContact CB-CG2 4.35Å; V275-V498 CarbonylContact O-C 3.19Å; V275-V498 WeakPolarHBondContact O-CA 3.33Å; V275-I499 PolarHBondContact O-N 3.45Å
276I93.9Very high87.1Confident4 Ų453.3 Ų53.32%0.02126%0.259CS..EExtended strand (participates in β ladder)trans-97.2103.3167.4-57.9174.7000107.1D278 E296 W304 R305 R306 V307 I499 Q501I276-D278 PolarHBondContact O-N 3.43Å; I276-E296 HydrophobicContact CD1-CB 4.2Å; I276-E296 HydrophobicContact CD1-CG 4.34Å; I276-W304 HydrophobicContact CD1-CB 4.01Å; I276-W304 HydrophobicContact CG1-CB 4.19Å; I276-W304 HydrophobicContact CG1-CD2 4.44Å; I276-W304 HydrophobicContact CG1-CE3 3.86Å; I276-R305 PolarHBondContact N-O 3.07Å; I276-R306 WeakPolarHBondContact O-CA 3.44Å; I276-V307 PolarHBondContact O-N 3.48Å; I276-I499 CarbonylContact C-O 3.55Å; I276-I499 WeakPolarHBondContact CA-O 3.21Å; I276-Q501 HydrophobicContact CG2-CB 4.09Å
277L93.9Very high85.4Confident2 Ų259.5 Ų59.51%0.0128%0.283CS..EExtended strand (participates in β ladder)trans-8195.9174-171.268.5000109L279 V307 R309 A449 A452 V498 I499 V500 Q501 V512L277-L279 HydrophobicContact CD2-CD2 4.22Å; L277-L279 HydrophobicContact CG-CD2 4.07Å; L277-V307 CarbonylContact C-O 3.45Å; L277-V307 WeakPolarHBondContact CA-O 3.39Å; L277-V307 HydrophobicContact CD1-CB 4.34Å; L277-V307 HydrophobicContact CD1-CG1 4.12Å; L277-R309 HydrophobicContact CD1-CB 4.02Å; L277-R309 HydrophobicContact CD1-CG 3.52Å; L277-A449 WeakPolarHBondContact CD2-O 3.42Å; L277-A452 HydrophobicContact CD1-CB 4.36Å; L277-V498 HydrophobicContact CB-CG1 4.42Å; L277-I499 PolarHBondContact N-O 3.08Å; L277-V500 HydrophobicContact CD2-CG2 4.32Å; L277-Q501 PolarHBondContact O-N 2.86Å; L277-V512 HydrophobicContact CD2-CG1 3.73Å
278D94Very high83.5Confident0 Ų063.1 Ų63.10%031%0.307CS..EExtended strand (participates in β ladder)trans-87.3112.7-177.8-167.7-14.6000110.8I276 R280 R306 V307 R309I276-D278 PolarHBondContact O-N 3.43Å; D278-R280 VanDerWaalsContact OD1-CB 3.23Å; D278-R280 WeakPolarHBondContact OD1-CB 3.45Å; D278-R280 VanDerWaalsContact OD1-CG 3.27Å; D278-R280 WeakPolarHBondContact OD1-CG 3.41Å; D278-R280 IonicContact OD1-CZ 2.81Å; D278-R280 PolarHBondContact OD1-N 2.87Å; D278-R280 IonicContact OD1-NE 3.4Å; D278-R280 PolarHBondContact OD1-NE 3.41Å; D278-R280 IonicContact OD1-NH2 2.85Å; D278-R280 IonicContact OD2-CZ 3.8Å; D278-R280 IonicContact OD2-NE 3.88Å; D278-R280 PolarHBondContact OD2-NE 3.22Å; D278-R280 IonicContact OD2-NH2 3.85Å; D278-R280 PolarHBondContact OD2-NH2 3.4Å; D278-R306 HydrophobicContact CB-CG 4.26Å; D278-R306 IonicContact OD2-CZ 3.49Å; D278-R306 IonicContact OD2-NE 2.66Å; D278-R306 PolarHBondContact OD2-NE 3.23Å; D278-R306 IonicContact OD2-NH2 3.91Å; D278-R306 PolarHBondContact OD2-NH2 2.93Å; D278-V307 PolarHBondContact N-O 3.42Å; D278-R309 PolarHBondContact O-N 3.38Å
279L95.9Very high81.6Confident0 Ų068.1 Ų68.10%033%0.33CS..  trans-91.12.9-177.3-55.2179.3000113.8L277 R309 L311 A449 V500 Q501 R508 V512L277-L279 HydrophobicContact CD2-CD2 4.22Å; L277-L279 HydrophobicContact CG-CD2 4.07Å; L279-R309 WeakPolarHBondContact CA-O 3.48Å; L279-R309 HydrophobicContact CD2-CB 4.06Å; L279-R309 VanDerWaalsContact CD2-O 3.31Å; L279-R309 WeakPolarHBondContact CD2-O 3.36Å; L279-L311 HydrophobicContact CD1-CD1 4.26Å; L279-L311 HydrophobicContact CD2-CD1 4.28Å; L279-L311 HydrophobicContact CD2-CG 4.43Å; L279-L311 PolarHBondContact O-N 3.32Å; L279-A449 HydrophobicContact CD2-CB 4.01Å; L279-V500 HydrophobicContact CD1-CG1 3.49Å; L279-V500 VanDerWaalsContact CD1-CG1 3.49Å; L279-V500 HydrophobicContact CG-CG1 4.08Å; L279-Q501 WeakPolarHBondContact CB-O 3.48Å; L279-Q501 PolarHBondContact N-O 2.95Å; L279-R508 HydrophobicContact CB-CB 4.43Å; L279-R508 HydrophobicContact CD1-CB 3.98Å; L279-R508 VanDerWaalsContact CD1-O 3.25Å; L279-R508 WeakPolarHBondContact CD1-O 3.35Å; L279-R508 PolarHBondContact O-NH1 2.8Å; L279-V512 HydrophobicContact CD1-CB 3.91Å; L279-V512 HydrophobicContact CD1-CG1 4.5Å; L279-V512 HydrophobicContact CD1-CG2 3.63Å; L279-V512 HydrophobicContact CD2-CG2 4.07Å
280R92.4Very high79.9Confident6 Ų669.2 Ų69.22%0.02334%0.343CS..  trans-73.8145.9-178-66179-62.8175.3-0.3111.5E202 D278 E284 T285 L294 P310E202-R280 WeakPolarHBondContact OE2-CD 3.37Å; E202-R280 IonicContact OE2-CZ 3.39Å; E202-R280 IonicContact OE2-NE 2.89Å; E202-R280 IonicContact OE2-NH1 3.51Å; E202-R280 PolarHBondContact OE2-NH1 2.95Å; D278-R280 VanDerWaalsContact OD1-CB 3.23Å; D278-R280 WeakPolarHBondContact OD1-CB 3.45Å; D278-R280 VanDerWaalsContact OD1-CG 3.27Å; D278-R280 WeakPolarHBondContact OD1-CG 3.41Å; D278-R280 IonicContact OD1-CZ 2.81Å; D278-R280 PolarHBondContact OD1-N 2.87Å; D278-R280 IonicContact OD1-NE 3.4Å; D278-R280 PolarHBondContact OD1-NE 3.41Å; D278-R280 IonicContact OD1-NH2 2.85Å; D278-R280 IonicContact OD2-CZ 3.8Å; D278-R280 IonicContact OD2-NE 3.88Å; D278-R280 PolarHBondContact OD2-NE 3.22Å; D278-R280 IonicContact OD2-NH2 3.85Å; D278-R280 PolarHBondContact OD2-NH2 3.4Å; R280-E284 WeakPolarHBondContact CA-OE2 3.37Å; R280-E284 HydrophobicContact CB-CB 4.02Å; R280-E284 HydrophobicContact CG-CB 4.48Å; R280-T285 HydrophobicContact CB-CG2 3.77Å; R280-L294 PolarHBondContact NH1-O 2.89Å; R280-L294 PolarHBondContact NH2-O 2.64Å; R280-L294 VanDerWaalsContact NH2-O 3.09Å; R280-P310 WeakPolarHBondContact O-CB 3.45Å
281T89.7Confident78.5Confident23 Ų2367.6 Ų67.614%0.14134%0.338CS..  trans-68.7162.7173.163.90000111.2N283 E284 T285 L311T281-N283 PolarHBondContact O-N 2.88Å; T281-E284 PolarHBondContact N-OE2 2.92Å; T281-E284 PolarHBondContact O-N 3.45Å; T281-E284 WeakPolarHBondContact OG1-CG 3.39Å; T281-E284 PolarHBondContact OG1-N 3.32Å; T281-E284 PolarHBondContact OG1-OE2 3.02Å; T281-T285 PolarHBondContact O-N 2.98Å; T281-T285 PolarHBondContact O-OG1 3.43Å; T281-T285 VanDerWaalsContact O-OG1 3.11Å; T281-L311 WeakPolarHBondContact CG2-O 3.31Å
282Q81.6Confident77.5Confident116 Ų11657.4 Ų57.454%0.54229%0.294SS..Hα-helixtrans-60.1-30175.5-64-166.918.800112.8T285 K286Q282-T285 WeakPolarHBondContact CA-OG1 3.47Å; Q282-T285 PolarHBondContact O-OG1 3.25Å; Q282-K286 VanDerWaalsContact O-CB 3.29Å; Q282-K286 WeakPolarHBondContact O-CB 3.45Å; Q282-K286 WeakPolarHBondContact O-CG 3.25Å; Q282-K286 PolarHBondContact O-N 3.38Å
283N80.6Confident76.6Confident124 Ų12456 Ų5666%0.66329%0.285SS*.Hα-helixtrans-69.8-40.4178.4-70.6-19.2000111.8T281 T285 K287T281-N283 PolarHBondContact O-N 2.88Å; N283-T285 VanDerWaalsContact C-N 3.29Å; N283-T285 PolarHBondContact O-N 3.16Å; N283-K287 PolarHBondContact O-N 3.37Å
284E83Confident75.6Confident39 Ų3950 Ų5018%0.18226%0.264CS..Hα-helixtrans-68.7-28.7177.8-70.3168.8127.100112.3R280 T281 R508R280-E284 WeakPolarHBondContact CA-OE2 3.37Å; R280-E284 HydrophobicContact CB-CB 4.02Å; R280-E284 HydrophobicContact CG-CB 4.48Å; T281-E284 PolarHBondContact N-OE2 2.92Å; T281-E284 PolarHBondContact O-N 3.45Å; T281-E284 WeakPolarHBondContact OG1-CG 3.39Å; T281-E284 PolarHBondContact OG1-N 3.32Å; T281-E284 PolarHBondContact OG1-OE2 3.02Å; E284-R508 IonicContact OE1-CZ 2.69Å; E284-R508 IonicContact OE1-NH1 2.87Å; E284-R508 IonicContact OE1-NH2 3.24Å; E284-R508 PolarHBondContact OE1-NH2 3.36Å; E284-R508 IonicContact OE2-CZ 2.84Å; E284-R508 IonicContact OE2-NH1 3.2Å; E284-R508 PolarHBondContact OE2-NH1 2.76Å; E284-R508 IonicContact OE2-NH2 3.77Å; E284-R508 PolarHBondContact OE2-NH2 3.17Å
285T78.3Confident74.7Confident31 Ų3151.4 Ų51.419%0.1927%0.273CS..Hα-helixtrans-91.4-28.2-178.351.40000113.9R280 T281 Q282 N283 V295R280-T285 HydrophobicContact CB-CG2 3.77Å; T281-T285 PolarHBondContact O-N 2.98Å; T281-T285 PolarHBondContact O-OG1 3.43Å; T281-T285 VanDerWaalsContact O-OG1 3.11Å; Q282-T285 WeakPolarHBondContact CA-OG1 3.47Å; Q282-T285 PolarHBondContact O-OG1 3.25Å; N283-T285 VanDerWaalsContact C-N 3.29Å; N283-T285 PolarHBondContact O-N 3.16Å; T285-V295 HydrophobicContact CG2-CG2 4.38Å
286K71.1Confident73.8Confident149 Ų14951.7 Ų51.765%0.64827%0.274SS*.Hα-helixtrans-92.6-26.8-179.4-69.7175.2177.1169.20114.2Q282 P288Q282-K286 VanDerWaalsContact O-CB 3.29Å; Q282-K286 WeakPolarHBondContact O-CB 3.45Å; Q282-K286 WeakPolarHBondContact O-CG 3.25Å; Q282-K286 PolarHBondContact O-N 3.38Å; K286-P288 WeakPolarHBondContact O-CD 3.38Å
287K57.9Low72.7Confident160 Ų16056.8 Ų56.870%0.69630%0.296SS*.SBendtrans-108.684.7176.7-71-174.5179-178.90109.7N283 Q289N283-K287 PolarHBondContact O-N 3.37Å; K287-Q289 PolarHBondContact O-N 2.96Å
288P54Low71.8Confident82 Ų8262 Ų6253%0.53232%0.32SS..  trans-56.9118.5169.222.7-29.8000108.2K286 S292K286-P288 WeakPolarHBondContact O-CD 3.38Å; P288-S292 CarbonylContact C-O 3.42Å
289Q52.1Low71Confident114 Ų11468.4 Ų68.453%0.53335%0.35SS..BIsolated β-bridgetrans-69164.3170.2-73.2-179.2-1100108.5K287 T291 S292K287-Q289 PolarHBondContact O-N 2.96Å; Q289-T291 PolarHBondContact O-N 3.2Å; Q289-S292 PolarHBondContact N-O 3.45Å; Q289-S292 PolarHBondContact O-N 3.01Å
290A50Low70.4Confident68 Ų6871.3 Ų71.356%0.56236%0.362SS*.THydrogen-bonded Turntrans-46.4-28.1-173.100000114.9Q207Q207-A290 WeakPolarHBondContact CG-O 3.43Å; Q207-A290 PolarHBondContact NE2-O 2.76Å
291T50Low70.2Confident93 Ų9371.5 Ų71.557%0.57136%0.362SS*.THydrogen-bonded Turntrans-132.12-178.150.10000115.4L204 Q289L204-T291 WeakPolarHBondContact CD2-O 3.13Å; Q289-T291 PolarHBondContact O-N 3.2Å
292S55.1Low70.1Confident3 Ų375.6 Ų75.62%0.02139%0.389CS..BIsolated β-bridgetrans-154.8153.7-175990000113.6E202 P288 Q289E202-S292 WeakPolarHBondContact OE1-CB 3.38Å; E202-S292 PolarHBondContact OE1-OG 2.7Å; P288-S292 CarbonylContact C-O 3.42Å; Q289-S292 PolarHBondContact N-O 3.45Å; Q289-S292 PolarHBondContact O-N 3.01Å
293G63.1Low70.5Confident4 Ų473.5 Ų73.54%0.04138%0.38CS..  trans123.222.617300000116.1E202E202-G293 PolarHBondContact OE1-N 2.87Å; E202-G293 VanDerWaalsContact OE1-N 3.13Å
294L67.4Low71Confident29 Ų2968.1 Ų68.115%0.15235%0.35CS..  trans-68.9146.5177.1-75.1177.9000111.4P203 L204 I205 R280P203-L294 HydrophobicContact CB-CB 4.32Å; P203-L294 HydrophobicContact CG-CB 3.86Å; L204-L294 WeakPolarHBondContact O-CD1 3.34Å; I205-L294 HydrophobicContact CB-CD1 4.05Å; I205-L294 HydrophobicContact CB-CG 4.22Å; I205-L294 HydrophobicContact CD1-CD2 4.29Å; R280-L294 PolarHBondContact NH1-O 2.89Å; R280-L294 PolarHBondContact NH2-O 2.64Å; R280-L294 VanDerWaalsContact NH2-O 3.09Å
295V72.3Confident71.3Confident30 Ų3068.9 Ų68.918%0.18235%0.351CS..  trans-98.2127.1167.81720000107.1T285 F297 R306T285-V295 HydrophobicContact CG2-CG2 4.38Å; V295-F297 VanDerWaalsContact O-CD2 3.3Å; V295-F297 WeakPolarHBondContact O-CD2 3.4Å; V295-F297 PolarHBondContact O-N 3.43Å; V295-R306 VanDerWaalsContact CG1-CZ 3.47Å; V295-R306 VanDerWaalsContact CG1-NH1 3.28Å
296E72.8Confident71.7Confident8 Ų870 Ų704%0.03735%0.352CS..  trans-59.9106.1168.6-7087.9166.200109.2R178 P203 I276 Y301 Q501R178-E296 IonicContact CZ-OE1 3.97Å; R178-E296 IonicContact NH1-OE1 2.99Å; R178-E296 PolarHBondContact NH1-OE1 3.03Å; R178-E296 IonicContact NH2-OE1 3.62Å; R178-E296 PolarHBondContact NH2-OE1 2.94Å; P203-E296 WeakPolarHBondContact CD-OE1 3.46Å; P203-E296 HydrophobicContact CG-CG 4.26Å; I276-E296 HydrophobicContact CD1-CB 4.2Å; I276-E296 HydrophobicContact CD1-CG 4.34Å; E296-Y301 HydrophobicContact CB-CD2 3.71Å; E296-Y301 HydrophobicContact CB-CE2 3.67Å; E296-Y301 HydrophobicContact CG-CD2 4.05Å; E296-Y301 HydrophobicContact CG-CE2 3.56Å; E296-Q501 VanDerWaalsContact CD-NE2 3.27Å; E296-Q501 VanDerWaalsContact OE1-CD 3.26Å; E296-Q501 PolarHBondContact OE1-NE2 3.34Å; E296-Q501 VanDerWaalsContact OE1-NE2 3.07Å; E296-Q501 PolarHBondContact OE1-OE1 3.46Å; E296-Q501 PolarHBondContact OE2-NE2 2.86Å
297F72.2Confident72.5Confident112 Ų11263.3 Ų63.349%0.49132%0.324SS..  trans-72131.8175.7-64-82.5000109.7V295 Q299 Y300 Y301V295-F297 VanDerWaalsContact O-CD2 3.3Å; V295-F297 WeakPolarHBondContact O-CD2 3.4Å; V295-F297 PolarHBondContact O-N 3.43Å; F297-Q299 HydrophobicContact CB-CG 3.85Å; F297-Q299 PolarHBondContact O-N 3.34Å; F297-Y300 HydrophobicContact CB-CD2 3.9Å; F297-Y300 HydrophobicContact CB-CE2 4.11Å; F297-Y300 HydrophobicContact CD2-CD2 4.21Å; F297-Y300 AromaticContact CD2-CE2 3.87Å; F297-Y300 HydrophobicContact CD2-CE2 3.87Å; F297-Y300 HydrophobicContact CG-CE2 4.37Å; F297-Y300 PolarHBondContact O-N 3.04Å; F297-Y301 PolarHBondContact O-N 3.06Å
298E73.4Confident74Confident110 Ų11058.6 Ų58.651%0.51431%0.31SS..THydrogen-bonded Turntrans-56.4-26.9-178.2-64.4-174.4160.600112.8Y300 Y301 P302E298-Y300 PolarHBondContact O-N 3.25Å; E298-Y301 CarbonylContact O-C 3.52Å; E298-Y301 PolarHBondContact O-N 3.18Å; E298-P302 WeakPolarHBondContact O-CA 3.44Å
299Q77.4Confident75.8Confident136 Ų13656 Ų5664%0.63629%0.29SS*.THydrogen-bonded Turntrans-60.8-29.6174.368.2-175.6-1500114F297F297-Q299 HydrophobicContact CB-CG 3.85Å; F297-Q299 PolarHBondContact O-N 3.34Å
300Y83.7Confident77.7Confident60 Ų6053.7 Ų53.724%0.23528%0.284CS..THydrogen-bonded Turntrans-90.6-23.5179.8-57.7-40000112R256 E261 F297 E298 P302R256-Y300 HydrophobicContact CG-CD1 4.4Å; R256-Y300 HydrophobicContact CG-CG 4.38Å; E261-Y300 WeakPolarHBondContact CG-O 3.2Å; F297-Y300 HydrophobicContact CB-CD2 3.9Å; F297-Y300 HydrophobicContact CB-CE2 4.11Å; F297-Y300 HydrophobicContact CD2-CD2 4.21Å; F297-Y300 AromaticContact CD2-CE2 3.87Å; F297-Y300 HydrophobicContact CD2-CE2 3.87Å; F297-Y300 HydrophobicContact CG-CE2 4.37Å; F297-Y300 PolarHBondContact O-N 3.04Å; E298-Y300 PolarHBondContact O-N 3.25Å; Y300-P302 VanDerWaalsContact C-CD 3.44Å; Y300-P302 WeakPolarHBondContact O-CD 3.24Å
301Y89.5Confident79.9Confident11 Ų1151 Ų514%0.04326%0.26CS..SBendtrans-124.864.7-179.7-55.2-87.2000110.3D260 E261 L264 E296 F297 E298 Q303 W304D260-Y301 WeakPolarHBondContact OD2-CE1 3.42Å; D260-Y301 PolarHBondContact OD2-OH 2.87Å; E261-Y301 HydrophobicContact CB-CE1 4.29Å; E261-Y301 HydrophobicContact CG-CD1 4.15Å; E261-Y301 HydrophobicContact CG-CE1 3.77Å; L264-Y301 HydrophobicContact CB-CD1 4.32Å; L264-Y301 HydrophobicContact CD1-CD1 3.65Å; L264-Y301 HydrophobicContact CD1-CE1 3.57Å; L264-Y301 HydrophobicContact CG-CD1 4.43Å; L264-Y301 HydrophobicContact CG-CE1 4.26Å; E296-Y301 HydrophobicContact CB-CD2 3.71Å; E296-Y301 HydrophobicContact CB-CE2 3.67Å; E296-Y301 HydrophobicContact CG-CD2 4.05Å; E296-Y301 HydrophobicContact CG-CE2 3.56Å; F297-Y301 PolarHBondContact O-N 3.06Å; E298-Y301 CarbonylContact O-C 3.52Å; E298-Y301 PolarHBondContact O-N 3.18Å; Y301-Q303 PolarHBondContact O-N 2.83Å; Y301-W304 WeakPolarHBondContact O-CA 3.28Å; Y301-W304 PolarHBondContact O-N 3.43Å
302P87Confident82Confident109 Ų10950 Ų5071%0.70825%0.249SC*.THydrogen-bonded Turntrans-65.2-17.5-167.426.1-36.7000114.9E298 Y300E298-P302 WeakPolarHBondContact O-CA 3.44Å; Y300-P302 VanDerWaalsContact C-CD 3.44Å; Y300-P302 WeakPolarHBondContact O-CD 3.24Å
303Q89.9Confident83.8Confident72 Ų7251.4 Ų51.434%0.33626%0.259SS..THydrogen-bonded Turntrans-91-7.9174.9-60.2176.9-81.500113S265 L268 G274 Y301S265-Q303 PolarHBondContact OG-OE1 2.82Å; L268-Q303 HydrophobicContact CD1-CB 3.46Å; L268-Q303 VanDerWaalsContact CD1-CB 3.46Å; L268-Q303 HydrophobicContact CD1-CG 4.4Å; G274-Q303 PolarHBondContact N-O 3.09Å; Y301-Q303 PolarHBondContact O-N 2.83Å
304W91.7Very high85.3Confident10 Ų1053.2 Ų53.24%0.03827%0.269CS..EExtended strand (participates in β ladder)trans-113.2127.6-175.5-67.485.9000110.5L264 I267 L268 G274 I276 Y301 C497 I499L264-W304 HydrophobicContact CB-CZ2 4.34Å; L264-W304 HydrophobicContact CD2-CZ2 4.45Å; L264-W304 VanDerWaalsContact O-CZ2 3.28Å; L264-W304 WeakPolarHBondContact O-CZ2 3.37Å; L264-W304 PolarHBondContact O-NE1 2.78Å; I267-W304 HydrophobicContact CB-CZ2 4.33Å; I267-W304 HydrophobicContact CG2-CH2 4.15Å; I267-W304 HydrophobicContact CG2-CZ2 4.15Å; L268-W304 HydrophobicContact CD1-CZ2 4.11Å; L268-W304 HydrophobicContact CD2-CH2 3.7Å; L268-W304 HydrophobicContact CD2-CZ2 3.48Å; L268-W304 VanDerWaalsContact CD2-CZ2 3.48Å; L268-W304 HydrophobicContact CD2-CZ3 4.4Å; L268-W304 HydrophobicContact CG-CH2 4.37Å; L268-W304 HydrophobicContact CG-CZ2 3.63Å; G274-W304 WeakPolarHBondContact O-CA 3.19Å; I276-W304 HydrophobicContact CD1-CB 4.01Å; I276-W304 HydrophobicContact CG1-CB 4.19Å; I276-W304 HydrophobicContact CG1-CD2 4.44Å; I276-W304 HydrophobicContact CG1-CE3 3.86Å; Y301-W304 WeakPolarHBondContact O-CA 3.28Å; Y301-W304 PolarHBondContact O-N 3.43Å; W304-C497 HydrophobicContact CH2-CB 4.24Å; W304-I499 HydrophobicContact CD2-CD1 4.41Å; W304-I499 HydrophobicContact CE3-CD1 3.87Å; W304-I499 HydrophobicContact CE3-CG1 4.32Å; W304-I499 HydrophobicContact CH2-CD1 3.28Å; W304-I499 HydrophobicContact CH2-CG1 3.62Å; W304-I499 HydrophobicContact CZ2-CD1 3.84Å; W304-I499 HydrophobicContact CZ3-CB 4.14Å; W304-I499 HydrophobicContact CZ3-CD1 3.31Å; W304-I499 HydrophobicContact CZ3-CG1 3.45Å; W304-I499 VanDerWaalsContact CZ3-CG1 3.45Å
305R88.2Confident86.5Confident55 Ų5553.6 Ų53.621%0.20828%0.28CS..EExtended strand (participates in β ladder)trans-104.2134.9176.6-172.2177.5-169.9175.1-1.4110.9G274 V275 I276 E489G274-R305 PolarHBondContact O-N 2.73Å; V275-R305 CarbonylContact C-O 3.08Å; V275-R305 WeakPolarHBondContact CA-O 3.48Å; I276-R305 PolarHBondContact N-O 3.07Å; R305-E489 VanDerWaalsContact NH1-CB 3.31Å; R305-E489 PolarHBondContact NH1-O 2.93Å
306R87.3Confident87.6Confident56 Ų5656.1 Ų56.121%0.21129%0.292CS..EExtended strand (participates in β ladder)trans-88.3127.3176.4-174.4170.6170.3-114.21.3111.3I276 D278 V295I276-R306 WeakPolarHBondContact O-CA 3.44Å; D278-R306 HydrophobicContact CB-CG 4.26Å; D278-R306 IonicContact OD2-CZ 3.49Å; D278-R306 IonicContact OD2-NE 2.66Å; D278-R306 PolarHBondContact OD2-NE 3.23Å; D278-R306 IonicContact OD2-NH2 3.91Å; D278-R306 PolarHBondContact OD2-NH2 2.93Å; V295-R306 VanDerWaalsContact CG1-CZ 3.47Å; V295-R306 VanDerWaalsContact CG1-NH1 3.28Å
307V87.8Confident88.7Confident8 Ų856.2 Ų56.25%0.04829%0.293CS..EExtended strand (participates in β ladder)trans-118.7121173.5177.10000108.1V275 I276 L277 D278 R309 L493V275-V307 HydrophobicContact CG1-CB 4.1Å; V275-V307 HydrophobicContact CG1-CG2 3.73Å; I276-V307 PolarHBondContact O-N 3.48Å; L277-V307 CarbonylContact C-O 3.45Å; L277-V307 WeakPolarHBondContact CA-O 3.39Å; L277-V307 HydrophobicContact CD1-CB 4.34Å; L277-V307 HydrophobicContact CD1-CG1 4.12Å; D278-V307 PolarHBondContact N-O 3.42Å; V307-R309 HydrophobicContact CG1-CG 4.43Å; V307-L493 HydrophobicContact CG2-CD1 4.17Å
308C89.6Confident89.9Confident60 Ų6051 Ų5141%0.40527%0.27SS..EExtended strand (participates in β ladder)trans-91.7119.6-176.6-63.20000110.8
309R92.1Very high90.9Very high29 Ų2948.6 Ų48.611%0.10926%0.263CS..  trans-129.773.4173.4-67.5-61.8179.5-175.2-3.8109.7L277 D278 L279 V307 L311 A449 A452 L475L277-R309 HydrophobicContact CD1-CB 4.02Å; L277-R309 HydrophobicContact CD1-CG 3.52Å; D278-R309 PolarHBondContact O-N 3.38Å; L279-R309 WeakPolarHBondContact CA-O 3.48Å; L279-R309 HydrophobicContact CD2-CB 4.06Å; L279-R309 VanDerWaalsContact CD2-O 3.31Å; L279-R309 WeakPolarHBondContact CD2-O 3.36Å; V307-R309 HydrophobicContact CG1-CG 4.43Å; R309-L311 PolarHBondContact O-N 3.08Å; R309-A449 HydrophobicContact CB-CB 3.9Å; R309-A449 HydrophobicContact CG-CB 4.44Å; R309-A452 HydrophobicContact CG-CB 4.22Å; R309-L475 VanDerWaalsContact NH1-CD1 3.31Å
310P92.2Very high91.8Very high64 Ų6443.6 Ų43.642%0.41624%0.242SC..  trans-60.7131-172.326.6-35000111.1R280R280-P310 WeakPolarHBondContact O-CB 3.45Å
311L95.6Very high92.5Very high11 Ų1140.7 Ų40.76%0.05823%0.23CC..  trans-117149.6170.3-64.3-179.3000110.1L279 T281 R309 E445 A449 R508 V512L279-L311 HydrophobicContact CD1-CD1 4.26Å; L279-L311 HydrophobicContact CD2-CD1 4.28Å; L279-L311 HydrophobicContact CD2-CG 4.43Å; L279-L311 PolarHBondContact O-N 3.32Å; T281-L311 WeakPolarHBondContact CG2-O 3.31Å; R309-L311 PolarHBondContact O-N 3.08Å; L311-E445 HydrophobicContact CD2-CB 3.81Å; L311-A449 HydrophobicContact CD1-CB 4.48Å; L311-A449 HydrophobicContact CD2-CB 4.43Å; L311-R508 HydrophobicContact CB-CG 4.08Å; L311-R508 HydrophobicContact CD1-CB 4.33Å; L311-R508 HydrophobicContact CD1-CG 4.4Å; L311-R508 PolarHBondContact O-NH1 3.17Å; L311-V512 HydrophobicContact CD1-CG2 3.58Å
312E94.2Very high92.8Very high74 Ų7442.4 Ų42.435%0.34624%0.237SC..  trans-57.1146.8-179.4-79.3-60.6158.800113.5N316 L442 R508E312-N316 HydrophobicContact CB-CB 4.43Å; E312-N316 WeakPolarHBondContact OE2-CB 3.43Å; E312-N316 PolarHBondContact OE2-ND2 2.82Å; E312-L442 HydrophobicContact CB-CD2 3.93Å; E312-L442 HydrophobicContact CG-CD2 3.48Å; E312-L442 VanDerWaalsContact CG-CD2 3.48Å; E312-R508 WeakPolarHBondContact O-CD 3.05Å
313S93.4Very high93.1Very high32 Ų3242.6 Ų42.622%0.22423%0.226CC..  trans-66.415517670.40000111.2G315 N316 L317S313-G315 PolarHBondContact O-N 3.42Å; S313-N316 PolarHBondContact O-N 3.33Å; S313-N316 VanDerWaalsContact O-N 3.08Å; S313-N316 PolarHBondContact OG-N 2.95Å; S313-N316 PolarHBondContact OG-ND2 2.91Å; S313-L317 WeakPolarHBondContact O-CB 3.22Å; S313-L317 PolarHBondContact O-N 2.96Å
314T94.1Very high93.4Very high42 Ų4239.1 Ų39.126%0.25821%0.21SC..Hα-helixtrans-53.7-40.2178.149.10000112.5L317 I318 D507 S563 V565T314-L317 PolarHBondContact O-N 2.94Å; T314-I318 WeakPolarHBondContact O-CG2 3.04Å; T314-I318 PolarHBondContact O-N 3.39Å; T314-I318 VanDerWaalsContact O-N 3.1Å; T314-D507 HydrophobicContact CG2-CB 4.12Å; T314-S563 WeakPolarHBondContact CA-OG 3.44Å; T314-S563 WeakPolarHBondContact CB-OG 3.38Å; T314-S563 PolarHBondContact O-OG 2.81Å; T314-V565 HydrophobicContact CG2-CG2 4.25Å
315G92.7Very high93.5Very high36 Ų3638.7 Ų38.737%0.37121%0.209SC..Hα-helixtrans-64.8-39.7177.200000114S313 I318 V319S313-G315 PolarHBondContact O-N 3.42Å; G315-I318 WeakPolarHBondContact O-CG2 3.34Å; G315-V319 WeakPolarHBondContact O-CG2 3.47Å; G315-V319 PolarHBondContact O-N 2.8Å
316N94.4Very high93.6Very high84 Ų8441.5 Ų41.545%0.44922%0.22SC..Hα-helixtrans-73.3-34.3175.4-71.4-18.6000111.9E312 S313 V319 T320E312-N316 HydrophobicContact CB-CB 4.43Å; E312-N316 WeakPolarHBondContact OE2-CB 3.43Å; E312-N316 PolarHBondContact OE2-ND2 2.82Å; S313-N316 PolarHBondContact O-N 3.33Å; S313-N316 VanDerWaalsContact O-N 3.08Å; S313-N316 PolarHBondContact OG-N 2.95Å; S313-N316 PolarHBondContact OG-ND2 2.91Å; N316-V319 PolarHBondContact O-N 2.99Å; N316-T320 PolarHBondContact O-N 3.5Å; N316-T320 PolarHBondContact O-OG1 2.89Å
317L96.3Very high93.7Very high9 Ų938.9 Ų38.95%0.04721%0.211CC..Hα-helixtrans-62-48.8179.5-175.760.2000111S313 T314 V319 T320 F321 W439 L442 P564 V565 L568S313-L317 WeakPolarHBondContact O-CB 3.22Å; S313-L317 PolarHBondContact O-N 2.96Å; T314-L317 PolarHBondContact O-N 2.94Å; L317-V319 PolarHBondContact O-N 3.22Å; L317-T320 PolarHBondContact O-N 3.08Å; L317-F321 WeakPolarHBondContact O-CB 3.5Å; L317-F321 PolarHBondContact O-N 2.86Å; L317-W439 HydrophobicContact CD1-CE3 4.42Å; L317-W439 HydrophobicContact CD1-CH2 4.35Å; L317-W439 HydrophobicContact CD1-CZ3 3.63Å; L317-W439 HydrophobicContact CG-CZ3 4.46Å; L317-L442 HydrophobicContact CD1-CD1 3.59Å; L317-P564 HydrophobicContact CD2-CG 4.36Å; L317-P564 HydrophobicContact CG-CG 3.89Å; L317-V565 HydrophobicContact CD2-CB 4.5Å; L317-V565 HydrophobicContact CD2-CG2 3.88Å; L317-L568 HydrophobicContact CD1-CD2 4.09Å; L317-L568 HydrophobicContact CD2-CD2 4.19Å
318I97Very high93.7Very high2 Ų238.7 Ų38.71%0.0121%0.209CC..Hα-helixtrans-63.3-40.1176.8-175.959.8000112.4T314 G315 T320 F321 R322 P559 E562T314-I318 WeakPolarHBondContact O-CG2 3.04Å; T314-I318 PolarHBondContact O-N 3.39Å; T314-I318 VanDerWaalsContact O-N 3.1Å; G315-I318 WeakPolarHBondContact O-CG2 3.34Å; I318-T320 VanDerWaalsContact C-N 3.33Å; I318-T320 PolarHBondContact O-N 3.25Å; I318-F321 PolarHBondContact O-N 2.97Å; I318-R322 HydrophobicContact CD1-CG 4.17Å; I318-R322 HydrophobicContact CG1-CG 4.37Å; I318-R322 VanDerWaalsContact O-CG 3.32Å; I318-R322 WeakPolarHBondContact O-CG 3.39Å; I318-R322 PolarHBondContact O-N 3.33Å; I318-P559 HydrophobicContact CG1-CB 4.08Å; I318-P559 HydrophobicContact CG2-CB 3.67Å; I318-P559 HydrophobicContact CG2-CG 3.94Å; I318-E562 WeakPolarHBondContact CB-O 3.41Å; I318-E562 WeakPolarHBondContact CG2-O 3.43Å
319V95.8Very high93.5Very high60 Ų6036.3 Ų36.336%0.36419%0.193SC..Hα-helixtrans-63.6-41177.8171.70000111.4G315 N316 L317 K323G315-V319 WeakPolarHBondContact O-CG2 3.47Å; G315-V319 PolarHBondContact O-N 2.8Å; N316-V319 PolarHBondContact O-N 2.99Å; L317-V319 PolarHBondContact O-N 3.22Å; V319-K323 HydrophobicContact CG1-CD 4.48Å; V319-K323 WeakPolarHBondContact O-CG 3.42Å; V319-K323 PolarHBondContact O-N 3.37Å
320T96.4Very high92.8Very high31 Ų3136.5 Ų36.519%0.1920%0.199CC..Hα-helixtrans-66.5-44.9177-57.50000110.7N316 L317 I318 R322 K323 F324 A438 L442N316-T320 PolarHBondContact O-N 3.5Å; N316-T320 PolarHBondContact O-OG1 2.89Å; L317-T320 PolarHBondContact O-N 3.08Å; I318-T320 VanDerWaalsContact C-N 3.33Å; I318-T320 PolarHBondContact O-N 3.25Å; T320-R322 PolarHBondContact O-N 3.45Å; T320-K323 PolarHBondContact O-N 3.05Å; T320-F324 WeakPolarHBondContact O-CB 3.4Å; T320-F324 PolarHBondContact O-N 3.33Å; T320-A438 HydrophobicContact CG2-CB 3.82Å; T320-L442 HydrophobicContact CG2-CD1 3.76Å
321F97.4Very high91.1Very high0 Ų037.6 Ų37.60%021%0.207CC..Hα-helixtrans-63-42.5178.6-172.1-114.6000113.2F75 L317 I318 K323 F324 I325 W439 A553 P564 I567 Y681F75-F321 AromaticContact CE1-CE1 3.92Å; F75-F321 HydrophobicContact CE1-CE1 3.92Å; F75-F321 AromaticContact CE1-CZ 3.93Å; F75-F321 HydrophobicContact CE1-CZ 3.93Å; F75-F321 AromaticContact CZ-CE1 3.99Å; F75-F321 HydrophobicContact CZ-CE1 3.99Å; F75-F321 AromaticContact CZ-CZ 3.59Å; F75-F321 HydrophobicContact CZ-CZ 3.59Å; L317-F321 WeakPolarHBondContact O-CB 3.5Å; L317-F321 PolarHBondContact O-N 2.86Å; I318-F321 PolarHBondContact O-N 2.97Å; F321-K323 VanDerWaalsContact C-N 3.31Å; F321-K323 PolarHBondContact O-N 2.98Å; F321-F324 HydrophobicContact CD2-CD1 4.12Å; F321-F324 HydrophobicContact CE2-CD1 4.23Å; F321-F324 WeakPolarHBondContact O-CB 3.41Å; F321-F324 PolarHBondContact O-N 3.24Å; F321-F324 VanDerWaalsContact O-N 3.14Å; F321-I325 HydrophobicContact CD1-CG1 4.28Å; F321-I325 HydrophobicContact CD2-CG1 4.35Å; F321-I325 HydrophobicContact CE1-CD1 4.5Å; F321-I325 HydrophobicContact CE1-CG1 3.95Å; F321-I325 HydrophobicContact CE2-CD1 3.99Å; F321-I325 HydrophobicContact CE2-CG1 4.04Å; F321-I325 HydrophobicContact CG-CG1 4.47Å; F321-I325 HydrophobicContact CZ-CD1 3.89Å; F321-I325 HydrophobicContact CZ-CG1 3.82Å; F321-I325 WeakPolarHBondContact O-CG1 3.38Å; F321-I325 PolarHBondContact O-N 3.4Å; F321-W439 HydrophobicContact CB-CE3 4.22Å; F321-W439 HydrophobicContact CB-CZ3 3.9Å; F321-W439 HydrophobicContact CD2-CD2 4.06Å; F321-W439 AromaticContact CD2-CE3 3.72Å; F321-W439 HydrophobicContact CD2-CE3 3.72Å; F321-W439 AromaticContact CD2-CH2 3.57Å; F321-W439 HydrophobicContact CD2-CH2 3.57Å; F321-W439 AromaticContact CD2-CZ2 3.94Å; F321-W439 HydrophobicContact CD2-CZ2 3.94Å; F321-W439 AromaticContact CD2-CZ3 3.46Å; F321-W439 HydrophobicContact CD2-CZ3 3.46Å; F321-W439 VanDerWaalsContact CD2-CZ3 3.46Å; F321-W439 AromaticContact CE2-CH2 3.99Å; F321-W439 HydrophobicContact CE2-CH2 3.99Å; F321-W439 HydrophobicContact CE2-CZ2 4.02Å; F321-W439 HydrophobicContact CE2-CZ3 4.32Å; F321-W439 HydrophobicContact CG-CE3 4.46Å; F321-W439 HydrophobicContact CG-CH2 4.38Å; F321-W439 HydrophobicContact CG-CZ3 4.05Å; F321-A553 HydrophobicContact CD1-CB 4.01Å; F321-A553 HydrophobicContact CE1-CB 3.93Å; F321-P564 HydrophobicContact CB-CB 4.37Å; F321-P564 HydrophobicContact CB-CG 3.55Å; F321-P564 HydrophobicContact CD1-CB 3.65Å; F321-P564 HydrophobicContact CD1-CG 3.75Å; F321-P564 HydrophobicContact CD2-CB 4.22Å; F321-P564 HydrophobicContact CD2-CG 4.15Å; F321-P564 HydrophobicContact CE1-CB 3.87Å; F321-P564 HydrophobicContact CE1-CG 4.46Å; F321-P564 HydrophobicContact CE2-CB 4.41Å; F321-P564 HydrophobicContact CG-CB 3.83Å; F321-P564 HydrophobicContact CG-CG 3.56Å; F321-P564 HydrophobicContact CZ-CB 4.25Å; F321-I567 HydrophobicContact CE2-CG2 4.02Å; F321-I567 HydrophobicContact CZ-CG2 4.03Å; F321-Y681 AromaticContact CE2-CE1 3.82Å; F321-Y681 HydrophobicContact CE2-CE1 3.82Å; F321-Y681 HydrophobicContact CZ-CE1 4.15Å
322R95.5Very high88.9Confident46 Ų4639.6 Ų39.617%0.17423%0.23CC..Hα-helixtrans-57.3-44173.7-73.4-169.3172.4177.52.7112I318 T320 F324 Y326 A553 S555 K557I318-R322 HydrophobicContact CD1-CG 4.17Å; I318-R322 HydrophobicContact CG1-CG 4.37Å; I318-R322 VanDerWaalsContact O-CG 3.32Å; I318-R322 WeakPolarHBondContact O-CG 3.39Å; I318-R322 PolarHBondContact O-N 3.33Å; T320-R322 PolarHBondContact O-N 3.45Å; R322-F324 VanDerWaalsContact C-N 3.35Å; R322-Y326 WeakPolarHBondContact O-CB 3.5Å; R322-Y326 PolarHBondContact O-N 3.38Å; R322-A553 WeakPolarHBondContact CG-O 3.42Å; R322-S555 PolarHBondContact NH1-O 2.98Å; R322-S555 VanDerWaalsContact NH1-O 3.11Å; R322-S555 PolarHBondContact NH2-O 2.8Å; R322-K557 PolarHBondContact NH1-O 3.04Å; R322-K557 PolarHBondContact NH2-O 3.39Å
323K94.4Very high85.8Confident113 Ų11347.2 Ų47.249%0.49126%0.256SS..Hα-helixtrans-66.2-38.7176.9-70.2171.4-176.4172.60111.8V319 T320 F321 A327 K435V319-K323 HydrophobicContact CG1-CD 4.48Å; V319-K323 WeakPolarHBondContact O-CG 3.42Å; V319-K323 PolarHBondContact O-N 3.37Å; T320-K323 PolarHBondContact O-N 3.05Å; F321-K323 VanDerWaalsContact C-N 3.31Å; F321-K323 PolarHBondContact O-N 2.98Å; K323-A327 WeakPolarHBondContact O-CB 3.46Å; K323-A327 PolarHBondContact O-N 2.91Å; K323-K435 HydrophobicContact CB-CD 4.28Å; K323-K435 HydrophobicContact CB-CG 4.2Å
324F95.5Very high82.8Confident0 Ų053 Ų530%028%0.284CS..Hα-helixtrans-62.3-55176.1169.3-105.3000111.5T320 F321 R322 Y326 A327 C328 L436 W439 I676 Y681T320-F324 WeakPolarHBondContact O-CB 3.4Å; T320-F324 PolarHBondContact O-N 3.33Å; F321-F324 HydrophobicContact CD2-CD1 4.12Å; F321-F324 HydrophobicContact CE2-CD1 4.23Å; F321-F324 WeakPolarHBondContact O-CB 3.41Å; F321-F324 PolarHBondContact O-N 3.24Å; F321-F324 VanDerWaalsContact O-N 3.14Å; R322-F324 VanDerWaalsContact C-N 3.35Å; F324-Y326 VanDerWaalsContact C-N 3.3Å; F324-Y326 PolarHBondContact O-N 2.93Å; F324-A327 CarbonylContact O-C 3.59Å; F324-A327 WeakPolarHBondContact O-CA 3.45Å; F324-A327 VanDerWaalsContact O-CB 3.28Å; F324-A327 WeakPolarHBondContact O-CB 3.11Å; F324-A327 PolarHBondContact O-N 2.89Å; F324-C328 VanDerWaalsContact CE2-SG 3.57Å; F324-C328 WeakPolarHBondContact CZ-SG 3.49Å; F324-C328 PolarHBondContact O-N 3.41Å; F324-C328 PolarHBondContact O-SG 3.4Å; F324-L436 HydrophobicContact CD2-CD2 3.88Å; F324-L436 HydrophobicContact CE2-CD2 3.73Å; F324-W439 HydrophobicContact CB-CB 4.02Å; F324-W439 HydrophobicContact CD1-CB 4.19Å; F324-W439 HydrophobicContact CD1-CD2 4.43Å; F324-W439 AromaticContact CD1-CG 4Å; F324-W439 HydrophobicContact CD1-CG 4Å; F324-W439 HydrophobicContact CD2-CB 3.49Å; F324-W439 VanDerWaalsContact CD2-CB 3.49Å; F324-W439 HydrophobicContact CD2-CG 4.07Å; F324-W439 AromaticContact CE1-CD1 3.87Å; F324-W439 HydrophobicContact CE1-CG 4.14Å; F324-W439 HydrophobicContact CE2-CB 3.95Å; F324-W439 HydrophobicContact CE2-CG 4.21Å; F324-W439 HydrophobicContact CG-CB 3.64Å; F324-W439 AromaticContact CG-CG 3.96Å; F324-W439 HydrophobicContact CG-CG 3.96Å; F324-W439 HydrophobicContact CZ-CB 4.46Å; F324-W439 AromaticContact CZ-CD1 3.78Å; F324-W439 HydrophobicContact CZ-CG 4.24Å; F324-I676 HydrophobicContact CZ-CG2 4.2Å; F324-Y681 AromaticContact CE1-CD1 3.87Å; F324-Y681 HydrophobicContact CE1-CD1 3.87Å; F324-Y681 AromaticContact CE1-CD2 3.59Å; F324-Y681 HydrophobicContact CE1-CD2 3.59Å; F324-Y681 HydrophobicContact CE1-CE1 4.01Å; F324-Y681 AromaticContact CE1-CE2 3.74Å; F324-Y681 HydrophobicContact CE1-CE2 3.74Å; F324-Y681 AromaticContact CE1-CG 3.65Å; F324-Y681 HydrophobicContact CE1-CG 3.65Å; F324-Y681 AromaticContact CE1-CZ 3.94Å; F324-Y681 AromaticContact CZ-CD2 3.62Å; F324-Y681 HydrophobicContact CZ-CD2 3.62Å; F324-Y681 AromaticContact CZ-CE2 3.9Å; F324-Y681 HydrophobicContact CZ-CE2 3.9Å; F324-Y681 HydrophobicContact CZ-CG 4.04Å
325I94Very high79.4Confident0 Ų056.6 Ų56.60%031%0.305CS..Hα-helixtrans-61.2-39.4179-64.6-58.3000111.6F75 F321 A327 C328 T329 A553 F554 Y681F75-I325 HydrophobicContact CB-CG2 4.24Å; F75-I325 HydrophobicContact CD1-CB 4.47Å; F75-I325 HydrophobicContact CD1-CD1 3.91Å; F75-I325 HydrophobicContact CD1-CG1 3.99Å; F75-I325 HydrophobicContact CD1-CG2 3.66Å; F75-I325 HydrophobicContact CD2-CD1 4.19Å; F75-I325 HydrophobicContact CE1-CD1 3.88Å; F75-I325 HydrophobicContact CE1-CG1 3.9Å; F75-I325 HydrophobicContact CE1-CG2 4.39Å; F75-I325 HydrophobicContact CE2-CD1 4.18Å; F75-I325 HydrophobicContact CG-CD1 4.07Å; F75-I325 HydrophobicContact CG-CG2 4.12Å; F75-I325 HydrophobicContact CZ-CD1 4.04Å; F75-I325 HydrophobicContact CZ-CG1 4.47Å; F321-I325 HydrophobicContact CD1-CG1 4.28Å; F321-I325 HydrophobicContact CD2-CG1 4.35Å; F321-I325 HydrophobicContact CE1-CD1 4.5Å; F321-I325 HydrophobicContact CE1-CG1 3.95Å; F321-I325 HydrophobicContact CE2-CD1 3.99Å; F321-I325 HydrophobicContact CE2-CG1 4.04Å; F321-I325 HydrophobicContact CG-CG1 4.47Å; F321-I325 HydrophobicContact CZ-CD1 3.89Å; F321-I325 HydrophobicContact CZ-CG1 3.82Å; F321-I325 WeakPolarHBondContact O-CG1 3.38Å; F321-I325 PolarHBondContact O-N 3.4Å; I325-A327 VanDerWaalsContact C-N 3.26Å; I325-A327 PolarHBondContact O-N 3.14Å; I325-C328 PolarHBondContact O-N 3.21Å; I325-T329 HydrophobicContact CG2-CG2 4.21Å; I325-T329 WeakPolarHBondContact O-CB 3.41Å; I325-T329 WeakPolarHBondContact O-CG2 3.49Å; I325-T329 PolarHBondContact O-N 3.12Å; I325-T329 PolarHBondContact O-OG1 2.86Å; I325-A553 HydrophobicContact CB-CB 3.64Å; I325-A553 HydrophobicContact CG1-CB 3.55Å; I325-A553 HydrophobicContact CG2-CB 3.78Å; I325-F554 HydrophobicContact CG2-CE1 4Å; I325-F554 HydrophobicContact CG2-CE2 4.22Å; I325-F554 HydrophobicContact CG2-CZ 3.75Å; I325-Y681 HydrophobicContact CD1-CD1 3.52Å; I325-Y681 HydrophobicContact CD1-CE1 4.15Å; I325-Y681 HydrophobicContact CD1-CG 4.22Å
326Y90.2Very high76.1Confident114 Ų11466 Ų6645%0.44733%0.33SS..Hα-helixtrans-60.6-38.1173.3-167.8-83.3000111.7R57 R322 F324 S330R57-Y326 PolarHBondContact NH2-OH 3.06Å; R322-Y326 WeakPolarHBondContact O-CB 3.5Å; R322-Y326 PolarHBondContact O-N 3.38Å; F324-Y326 VanDerWaalsContact C-N 3.3Å; F324-Y326 PolarHBondContact O-N 2.93Å; Y326-S330 WeakPolarHBondContact CD1-OG 3.35Å; Y326-S330 WeakPolarHBondContact CE1-OG 3.48Å; Y326-S330 WeakPolarHBondContact O-CB 3.35Å; Y326-S330 PolarHBondContact O-N 3.44Å; Y326-S330 PolarHBondContact O-OG 3.29Å
327A89.6Confident72.7Confident2 Ų266.6 Ų66.62%0.01734%0.34CS..Hα-helixtrans-67.7-44.2175.500000111.9K323 F324 I325 S330 K432 K435 L436K323-A327 WeakPolarHBondContact O-CB 3.46Å; K323-A327 PolarHBondContact O-N 2.91Å; F324-A327 CarbonylContact O-C 3.59Å; F324-A327 WeakPolarHBondContact O-CA 3.45Å; F324-A327 VanDerWaalsContact O-CB 3.28Å; F324-A327 WeakPolarHBondContact O-CB 3.11Å; F324-A327 PolarHBondContact O-N 2.89Å; I325-A327 VanDerWaalsContact C-N 3.26Å; I325-A327 PolarHBondContact O-N 3.14Å; A327-S330 PolarHBondContact O-N 3.2Å; A327-K432 HydrophobicContact CB-CG 4.07Å; A327-K432 WeakPolarHBondContact O-CE 3.39Å; A327-K432 PolarHBondContact O-NZ 3.47Å; A327-K435 HydrophobicContact CB-CB 3.82Å; A327-K435 HydrophobicContact CB-CD 4.06Å; A327-L436 HydrophobicContact CB-CD2 4.05Å; A327-L436 HydrophobicContact CB-CG 4.31Å
328C88.1Confident69.3Low3 Ų371.6 Ų71.62%0.0238%0.376CS..Hα-helixtrans-58.6-48.5175.7-66.40000111.2F324 I325 S330 L436 Q682 L685F324-C328 VanDerWaalsContact CE2-SG 3.57Å; F324-C328 WeakPolarHBondContact CZ-SG 3.49Å; F324-C328 PolarHBondContact O-N 3.41Å; F324-C328 PolarHBondContact O-SG 3.4Å; I325-C328 PolarHBondContact O-N 3.21Å; C328-S330 PolarHBondContact O-N 2.93Å; C328-L436 VanDerWaalsContact SG-CD2 3.54Å; C328-Q682 HydrophobicContact CB-CG 4.27Å; C328-L685 WeakPolarHBondContact O-CD1 3.23Å
329T84.9Confident66Low10 Ų1075.9 Ų75.96%0.06141%0.406CS..Hα-helixtrans-85.3-2.1-174.960.10000114.7I325 C331 F554I325-T329 HydrophobicContact CG2-CG2 4.21Å; I325-T329 WeakPolarHBondContact O-CB 3.41Å; I325-T329 WeakPolarHBondContact O-CG2 3.49Å; I325-T329 PolarHBondContact O-N 3.12Å; I325-T329 PolarHBondContact O-OG1 2.86Å; T329-C331 PolarHBondContact O-N 3.42Å; T329-C331 VanDerWaalsContact O-N 3.13Å; T329-F554 HydrophobicContact CG2-CZ 3.94Å
330S77.2Confident62.6Low34 Ų3480.1 Ų80.124%0.23843%0.427CS..  trans-74.2102.8172.8-70.90000110Y326 A327 C328 G332 K432Y326-S330 WeakPolarHBondContact CD1-OG 3.35Å; Y326-S330 WeakPolarHBondContact CE1-OG 3.48Å; Y326-S330 WeakPolarHBondContact O-CB 3.35Å; Y326-S330 PolarHBondContact O-N 3.44Å; Y326-S330 PolarHBondContact O-OG 3.29Å; A327-S330 PolarHBondContact O-N 3.2Å; C328-S330 PolarHBondContact O-N 2.93Å; S330-G332 PolarHBondContact O-N 3.06Å; S330-G332 VanDerWaalsContact O-N 3.1Å; S330-K432 PolarHBondContact O-NZ 2.87Å; S330-K432 VanDerWaalsContact O-NZ 3.15Å
331C55.9Low59.3Low87 Ų8785 Ų8559%0.58846%0.457SS*.  trans-59.3109167.5-171.50000108.7T329 R333T329-C331 PolarHBondContact O-N 3.42Å; T329-C331 VanDerWaalsContact O-N 3.13Å; C331-R333 PolarHBondContact O-N 2.96Å
332G49.9Very low56Low52 Ų5290.5 Ų90.554%0.53649%0.49SS..  trans-64.5124.5156.800000105.5S330 L334S330-G332 PolarHBondContact O-N 3.06Å; S330-G332 VanDerWaalsContact O-N 3.1Å; G332-L334 VanDerWaalsContact C-N 3.29Å; G332-L334 PolarHBondContact O-N 3.17Å
333R29.5Very low52.7Low234 Ų23497.6 Ų97.688%0.88352%0.523SS*.  trans-51.5104.3166.4-78.8-175.6-171.3-168.22.2106.1C331 T335C331-R333 PolarHBondContact O-N 2.96Å; R333-T335 PolarHBondContact O-N 3.48Å
334L30Very low49.5Very low155 Ų15594.7 Ų94.781%0.81253%0.525SS*.  trans-62.491.7156.7-73.3165.9000103.7G332 R336G332-L334 VanDerWaalsContact C-N 3.29Å; G332-L334 PolarHBondContact O-N 3.17Å; L334-R336 VanDerWaalsContact C-N 3.26Å; L334-R336 PolarHBondContact O-N 3.18Å
335T23.4Very low46.3Very low116 Ų11698 Ų9871%0.71255%0.552SS**  trans-55.2105.1159.249.20000104.2R333 S337R333-T335 PolarHBondContact O-N 3.48Å; T335-S337 PolarHBondContact O-N 3.35Å
336R22.7Very low43Very low235 Ų235104.7 Ų104.789%0.88759%0.587SS**  trans-59.984.5162.4-74.8176.278.8-168.76.1105.7L334 S338L334-R336 VanDerWaalsContact C-N 3.26Å; L334-R336 PolarHBondContact O-N 3.18Å; R336-S338 VanDerWaalsContact C-N 3.32Å; R336-S338 PolarHBondContact O-N 3.11Å; R336-S338 VanDerWaalsContact O-N 3.13Å
337S23.7Very low40.2Very low96 Ų96107.4 Ų107.467%0.67160%0.604SS**  trans-68.8105.6155.461.50000104.5T335 S339T335-S337 PolarHBondContact O-N 3.35Å; S337-S339 VanDerWaalsContact C-N 3.3Å; S337-S339 PolarHBondContact O-N 2.97Å
338S25.2Very low37.6Very low114 Ų114109.8 Ų109.880%0.79762%0.62SS**SBendtrans-58.291.7172.2-59.90000109.4R336R336-S338 VanDerWaalsContact C-N 3.32Å; R336-S338 PolarHBondContact O-N 3.11Å; R336-S338 VanDerWaalsContact O-N 3.13Å
339S26.3Very low34.8Very low91 Ų91111.6 Ų111.664%0.63664%0.64SS**  trans170.1142.515336.80000109.5S337S337-S339 VanDerWaalsContact C-N 3.3Å; S337-S339 PolarHBondContact O-N 2.97Å
340N25.5Very low32.4Very low150 Ų150116.3 Ų116.380%0.80266%0.663SS**  trans87.581.2173.9-55.5-10.5000116.4T342N340-T342 PolarHBondContact O-N 3.1Å
341T27.2Very low30.7Very low133 Ų133117 Ų11782%0.81667%0.668SS**  trans-34.1122.2141.545.40000113
342T26.7Very low29.7Very low115 Ų115117.7 Ų117.771%0.70667%0.666SS**  trans-179.9129.9131.326.70000109.7N340 G344 A345N340-T342 PolarHBondContact O-N 3.1Å; T342-G344 PolarHBondContact O-N 3.27Å; T342-A345 PolarHBondContact O-N 3.04Å
343F28Very low29.3Very low195 Ų195118.4 Ų118.486%0.85566%0.663SS**THydrogen-bonded Turntrans-55.8-14.4-174.5-150.2-102.1000114.4
344G25.5Very low29.8Very low52 Ų52109 Ų10954%0.53663%0.63SS.*THydrogen-bonded Turntrans-77.8-20.417900000115.6T342 L346 S348T342-G344 PolarHBondContact O-N 3.27Å; G344-L346 VanDerWaalsContact C-N 3.31Å; G344-L346 PolarHBondContact O-N 3.36Å; G344-S348 PolarHBondContact O-OG 3.1Å; G344-S348 VanDerWaalsContact O-OG 3.09Å
345A28Very low30.2Very low70 Ų70103.2 Ų103.258%0.57961%0.607SS**Hα-helixtrans-77-15.5-179.700000113.8T342T342-A345 PolarHBondContact O-N 3.04Å
346L26.4Very low31Very low141 Ų141104.6 Ų104.674%0.73861%0.608SS**Hα-helixtrans-77.3-23.3-179.4-72.7173.4000113.2G344G344-L346 VanDerWaalsContact C-N 3.31Å; G344-L346 PolarHBondContact O-N 3.36Å
347Q29.9Very low31.7Very low171 Ų17197.7 Ų97.780%0.79959%0.588SS**Hα-helixtrans-104.6-28.1-176.3-158.7158.50.600113.3
348S34.9Very low32.5Very low51 Ų5193.5 Ų93.536%0.35756%0.559SS.*Hα-helixtrans-90.3-34.4-176.157.80000114.7G344 I350 D352G344-S348 PolarHBondContact O-OG 3.1Å; G344-S348 VanDerWaalsContact O-OG 3.09Å; S348-I350 PolarHBondContact O-N 3.02Å; S348-D352 WeakPolarHBondContact CB-OD2 3.34Å; S348-D352 VanDerWaalsContact O-CB 3.28Å; S348-D352 WeakPolarHBondContact O-CB 3.39Å; S348-D352 PolarHBondContact O-N 3.17Å; S348-D352 VanDerWaalsContact O-N 3.11Å
349G29.8Very low33.4Very low41 Ų4189 Ų8942%0.42353%0.527SS..Hα-helixtrans-65-33.8-168.300000115.5S353G349-S353 WeakPolarHBondContact O-CB 3.36Å; G349-S353 PolarHBondContact O-OG 3.23Å
350I34.9Very low34Very low109 Ų10987.7 Ų87.756%0.55952%0.521SS*.Hα-helixtrans-94.5-42.4-177.1-62.7175000111.3S348 I354S348-I350 PolarHBondContact O-N 3.02Å; I350-I354 HydrophobicContact CG2-CD1 3.53Å; I350-I354 HydrophobicContact CG2-CG1 4.47Å; I350-I354 VanDerWaalsContact O-CB 3.31Å; I350-I354 WeakPolarHBondContact O-CB 3.43Å; I350-I354 WeakPolarHBondContact O-CD1 3.46Å; I350-I354 WeakPolarHBondContact O-CG1 3.44Å; I350-I354 PolarHBondContact O-N 3.3Å; I350-I354 VanDerWaalsContact O-N 3.11Å
351S41.5Very low34.6Very low49 Ų4982.3 Ų82.334%0.34350%0.498SS..Hα-helixtrans-68-48.9-178.9-177.40000111.9S353 I354 G355S351-S353 PolarHBondContact O-N 2.98Å; S351-I354 PolarHBondContact O-N 3.13Å; S351-G355 PolarHBondContact O-N 3.4Å
352D35.7Very low35.3Very low102 Ų10276.5 Ų76.555%0.54546%0.462SS..Hα-helixtrans-66.6-39.8-177-63.1-24.9000111.7S348 M356S348-D352 WeakPolarHBondContact CB-OD2 3.34Å; S348-D352 VanDerWaalsContact O-CB 3.28Å; S348-D352 WeakPolarHBondContact O-CB 3.39Å; S348-D352 PolarHBondContact O-N 3.17Å; S348-D352 VanDerWaalsContact O-N 3.11Å; D352-M356 WeakPolarHBondContact O-CB 3.4Å; D352-M356 VanDerWaalsContact O-CG 3.22Å; D352-M356 WeakPolarHBondContact O-CG 3.48Å; D352-M356 PolarHBondContact O-N 3.12Å
353S40Very low35.9Very low67 Ų6775.2 Ų75.247%0.46945%0.451SS..Hα-helixtrans-68.2-35.7178.1-58.70000112.6G349 S351 L357G349-S353 WeakPolarHBondContact O-CB 3.36Å; G349-S353 PolarHBondContact O-OG 3.23Å; S351-S353 PolarHBondContact O-N 2.98Å; S353-L357 WeakPolarHBondContact O-CB 3.38Å; S353-L357 WeakPolarHBondContact O-CG 3.46Å; S353-L357 PolarHBondContact O-N 3.2Å
354I40.5Very low36Very low36 Ų3670.8 Ų70.819%0.18544%0.441CS..Hα-helixtrans-76.4-41.6177.7-69.5171.1000110.7I350 S351 M356 L357 S358 L436 I676I350-I354 HydrophobicContact CG2-CD1 3.53Å; I350-I354 HydrophobicContact CG2-CG1 4.47Å; I350-I354 VanDerWaalsContact O-CB 3.31Å; I350-I354 WeakPolarHBondContact O-CB 3.43Å; I350-I354 WeakPolarHBondContact O-CD1 3.46Å; I350-I354 WeakPolarHBondContact O-CG1 3.44Å; I350-I354 PolarHBondContact O-N 3.3Å; I350-I354 VanDerWaalsContact O-N 3.11Å; S351-I354 PolarHBondContact O-N 3.13Å; I354-M356 VanDerWaalsContact C-N 3.33Å; I354-M356 PolarHBondContact O-N 2.64Å; I354-L357 PolarHBondContact O-N 3.09Å; I354-S358 WeakPolarHBondContact O-CB 3.38Å; I354-S358 PolarHBondContact O-N 3.24Å; I354-S358 PolarHBondContact O-OG 3.45Å; I354-S358 VanDerWaalsContact O-OG 3.05Å; I354-L436 HydrophobicContact CD1-CD1 3.9Å; I354-L436 HydrophobicContact CG1-CD1 4.36Å; I354-L436 HydrophobicContact CG2-CD1 4.43Å; I354-I676 HydrophobicContact CG2-CD1 4.03Å
355G38.5Very low36.3Very low33 Ų3375.8 Ų75.834%0.3445%0.454SS..Hα-helixtrans-61.9-38.5176.400000113.1S351 S358 S359S351-G355 PolarHBondContact O-N 3.4Å; G355-S358 PolarHBondContact O-OG 2.96Å; G355-S359 WeakPolarHBondContact O-CB 3.42Å; G355-S359 PolarHBondContact O-N 3.09Å; G355-S359 PolarHBondContact O-OG 2.86Å
356M40.7Very low36.2Very low146 Ų14675 Ų7572%0.71945%0.454SS*.Hα-helixtrans-70.1-40.3175.6-74.1-68.1-6800112.8D352 I354 A360D352-M356 WeakPolarHBondContact O-CB 3.4Å; D352-M356 VanDerWaalsContact O-CG 3.22Å; D352-M356 WeakPolarHBondContact O-CG 3.48Å; D352-M356 PolarHBondContact O-N 3.12Å; I354-M356 VanDerWaalsContact C-N 3.33Å; I354-M356 PolarHBondContact O-N 2.64Å; M356-A360 PolarHBondContact O-N 3.24Å
357L38Very low36Very low90 Ų9076.5 Ų76.547%0.47146%0.462SS..Hα-helixtrans-81.6-30.8-179.8-70.9171.9000113.5S353 I354 S359 A360 A361 S433S353-L357 WeakPolarHBondContact O-CB 3.38Å; S353-L357 WeakPolarHBondContact O-CG 3.46Å; S353-L357 PolarHBondContact O-N 3.2Å; I354-L357 PolarHBondContact O-N 3.09Å; L357-S359 VanDerWaalsContact C-N 3.31Å; L357-A360 PolarHBondContact O-N 2.9Å; L357-A361 WeakPolarHBondContact O-CB 3.29Å; L357-A361 PolarHBondContact O-N 3.47Å; L357-S433 WeakPolarHBondContact CB-OG 3.41Å
358S39.2Very low35.8Very low8 Ų877.8 Ų77.86%0.05647%0.466CS..Hα-helixtrans-63.4-40.8171.467.10000110.1I354 G355 A360 A361 L362I354-S358 WeakPolarHBondContact O-CB 3.38Å; I354-S358 PolarHBondContact O-N 3.24Å; I354-S358 PolarHBondContact O-OG 3.45Å; I354-S358 VanDerWaalsContact O-OG 3.05Å; G355-S358 PolarHBondContact O-OG 2.96Å; S358-A360 VanDerWaalsContact C-N 3.3Å; S358-A360 PolarHBondContact O-N 3.22Å; S358-A361 PolarHBondContact O-N 3.31Å; S358-A361 VanDerWaalsContact O-N 3.15Å; S358-L362 WeakPolarHBondContact O-CB 3.25Å; S358-L362 WeakPolarHBondContact O-CG 3.45Å; S358-L362 PolarHBondContact O-N 3.03Å
359S43.4Very low35.2Very low20 Ų2078.5 Ų78.514%0.1448%0.481CS..Hα-helixtrans-55.6-42.8172.3-640000112.4G355 L357 Q672G355-S359 WeakPolarHBondContact O-CB 3.42Å; G355-S359 PolarHBondContact O-N 3.09Å; G355-S359 PolarHBondContact O-OG 2.86Å; L357-S359 VanDerWaalsContact C-N 3.31Å; S359-Q672 PolarHBondContact OG-NE2 3.11Å; S359-Q672 VanDerWaalsContact OG-NE2 3.09Å
360A40.8Very low34.9Very low62 Ų6284.9 Ų84.951%0.51250%0.504SS..Hα-helixtrans-71.8-34.8176.900000113.2M356 L357 S358 N363M356-A360 PolarHBondContact O-N 3.24Å; L357-A360 PolarHBondContact O-N 2.9Å; S358-A360 VanDerWaalsContact C-N 3.3Å; S358-A360 PolarHBondContact O-N 3.22Å; A360-N363 CarbonylContact O-C 3.46Å; A360-N363 VanDerWaalsContact O-O 3.1Å
361A37.2Very low34.2Very low38 Ų3890.7 Ų90.731%0.31452%0.519SS..Hα-helixtrans-75-31.3-179.900000113.3L357 S358 N363 S437L357-A361 WeakPolarHBondContact O-CB 3.29Å; L357-A361 PolarHBondContact O-N 3.47Å; S358-A361 PolarHBondContact O-N 3.31Å; S358-A361 VanDerWaalsContact O-N 3.15Å; A361-N363 VanDerWaalsContact C-N 3.26Å; A361-N363 PolarHBondContact O-N 3.11Å; A361-S437 WeakPolarHBondContact CB-OG 3.43Å
362L42.9Very low33.3Very low10 Ų1096.4 Ų96.45%0.05255%0.546CS..Hα-helixtrans-76.2-16.6178.9-62.4169.3000112.4S358 P364 S441 A671S358-L362 WeakPolarHBondContact O-CB 3.25Å; S358-L362 WeakPolarHBondContact O-CG 3.45Å; S358-L362 PolarHBondContact O-N 3.03Å; L362-P364 WeakPolarHBondContact O-CD 3.29Å; L362-S441 WeakPolarHBondContact CD2-OG 3.14Å; L362-A671 HydrophobicContact CB-CB 4.07Å; L362-A671 HydrophobicContact CD1-CB 3.32Å; L362-A671 HydrophobicContact CG-CB 4.28Å
363N38.5Very low32.7Very low89 Ų8995.9 Ų95.948%0.47655%0.55SS.*SBendtrans-116.877.5170.6-74.2-28.3000111A360 A361 I365A360-N363 CarbonylContact O-C 3.46Å; A360-N363 VanDerWaalsContact O-O 3.1Å; A361-N363 VanDerWaalsContact C-N 3.26Å; A361-N363 PolarHBondContact O-N 3.11Å; N363-I365 VanDerWaalsContact C-N 3.34Å; N363-I365 PolarHBondContact O-N 2.79Å
364P30.7Very low32Very low101 Ų101100.2 Ų100.266%0.65657%0.573SS**  trans-70.791.5178.929.1-32.2000110.1L362L362-P364 WeakPolarHBondContact O-CD 3.29Å
365I31Very low31.1Very low157 Ų157102.6 Ų102.681%0.80560%0.599SS**  trans-67.2128.8163.8-63.9174.4000107.2N363N363-I365 VanDerWaalsContact C-N 3.34Å; N363-I365 PolarHBondContact O-N 2.79Å
366G26.6Very low30.4Very low55 Ų55104.9 Ų104.957%0.56762%0.615SS**  trans-57.4150.8177.800000112.5F368G366-F368 PolarHBondContact O-N 2.93Å
367N22.3Very low29.5Very low172 Ų172103.8 Ų103.892%0.9262%0.621SS**  trans-40.194.6166.9-89.75.5000111.6
368F24Very low28.7Very low198 Ų198106.5 Ų106.587%0.86863%0.634SS**  trans-105.3107.3148-87.9-83000105.9G366G366-F368 PolarHBondContact O-N 2.93Å
369G24Very low27.9Very low66 Ų66111.3 Ų111.368%0.6867%0.665SS**  trans-54.3141.6178.300000111.2R371G369-R371 PolarHBondContact O-N 2.86Å
370L23.2Very low26.9Very low175 Ų175116.4 Ų116.492%0.91670%0.7SS**  trans14.885.6143.6-76.7146.6000114.3
371R19.8Very low25.8Very low231 Ų231120 Ų12087%0.87271%0.71SS**  trans-128.7105146.7-87.8-165.5172.2-152.1-1.5108.6G369 S373G369-R371 PolarHBondContact O-N 2.86Å; R371-S373 PolarHBondContact O-N 3.03Å
372N23Very low25.2Very low168 Ų168126.1 Ų126.190%0.89874%0.738SS**  trans-48.8103.7151.9-74.2-15.8000107.9
373S21.7Very low24.1Very low91 Ų91130.1 Ų130.164%0.63677%0.767SS**  trans-143.9103.8156.464.60000108.4R371 A375R371-S373 PolarHBondContact O-N 3.03Å; S373-A375 PolarHBondContact O-N 3.31Å; S373-A375 VanDerWaalsContact O-N 3.13Å
374V25.2Very low23.4Very low158 Ų158131.5 Ų131.596%0.95878%0.778SS**  trans-42.1111.9157.7-178.80000108.3
375A23Very low23.1Very low87 Ų87133.7 Ų133.772%0.71978%0.784SS**  trans-135.698.5174.900000109.7S373S373-A375 PolarHBondContact O-N 3.31Å; S373-A375 VanDerWaalsContact O-N 3.13Å
376A23.1Very low22.6Very low81 Ų81131.3 Ų131.367%0.66978%0.781SS**  trans53.487.7144.400000117.7I378A376-I378 PolarHBondContact O-N 2.84Å
377S22.7Very low22.5Very low122 Ų122136.7 Ų136.785%0.85380%0.796SS**  trans-53.4106140.247.50000109.9
378I21Very low22.5Very low147 Ų147134.9 Ų134.975%0.75479%0.787SS**  trans-85.2123.1161.4-66.9170.1000106.4A376A376-I378 PolarHBondContact O-N 2.84Å
379P22.5Very low22.6Very low109 Ų109133.3 Ų133.371%0.70879%0.788SS**  trans-82.9126.9-17525.6-17.9000110.3D381P379-D381 PolarHBondContact O-N 3.01Å
380C21.6Very low22.5Very low127 Ų127136.6 Ų136.686%0.85879%0.79SS**  trans-83.792.4164.7-69.50000108.3N382C380-N382 PolarHBondContact O-N 2.83Å
381D18.5Very low22.5Very low138 Ų138134.8 Ų134.874%0.73879%0.785SS**  trans-58.1124.5152.9-90.6-32.6000108.6P379P379-D381 PolarHBondContact O-N 3.01Å
382N25Very low22.8Very low166 Ų166129.6 Ų129.689%0.88878%0.779SS**  trans-155.970.2148.6-95-20.2000107.4C380C380-N382 PolarHBondContact O-N 2.83Å
383S19.9Very low22.6Very low94 Ų94133.1 Ų133.166%0.65778%0.78SS**  trans-57.7147.5143.354.30000109.5
384V22.7Very low22.6Very low119 Ų119137.5 Ų137.572%0.72179%0.79SS**  trans115.285.8165.1-170.90000112.6
385N24.6Very low22.4Very low146 Ų146138 Ų13878%0.78178%0.782SS**  -166.5100.4109.5-93.4-28000109.8
386S21.3Very low22.4Very low107 Ų107142 Ų14275%0.74879%0.789SS**  trans-59.8120.1154.551.50000109.6
387L23.3Very low22.1Very low168 Ų168144.4 Ų144.488%0.8879%0.791SS**  trans-131.2110.6151.6-86.1161.9000106.4
388D22.2Very low22Very low134 Ų134144.5 Ų144.572%0.71779%0.787SS**  trans-54.3128.4170.2-74.5-61000110.7
389D26.7Very low22Very low166 Ų166142.5 Ų142.589%0.88879%0.786SS**  trans-134.382.4147.5-92.9-31.6000107.6
390N21Very low22.2Very low135 Ų135143.2 Ų143.272%0.72279%0.794SS**  trans-64.5148.6152.1-84.4-54.5000108.5
391V24Very low22.2Very low137 Ų137146.7 Ų146.783%0.8379%0.794SS**  trans96.394.2-178.6-172.60000109.9
392V25.3Very low22.4Very low121 Ų121147 Ų14773%0.73380%0.796SS**  -147.4117.968.7172.10000110.3
393R19.8Very low22.3Very low242 Ų242146.1 Ų146.191%0.91379%0.791SS**  trans-81.7115.6156.9-84.5177.5170.2158.6-2.1107.4
394E21.9Very low22.3Very low184 Ų184151 Ų15186%0.8681%0.806SS**  trans-125.5129.1148.9-91.3-169.7162.800109.9
395Q20Very low22.2Very low167 Ų167152.2 Ų152.278%0.7881%0.813SS**  trans-84.5125.6-169.5-64167-25.200109.5
396I22.5Very low22.1Very low171 Ų171150.4 Ų150.488%0.87781%0.812SS**  trans-131.792.1146.6-59.5-177.5000107.8
397N18.2Very low22.1Very low132 Ų132152.6 Ų152.671%0.70682%0.815SS**  trans-59140.3153.4-75.3-34.7000107.7
398T20.2Very low22.1Very low124 Ų124155.7 Ų155.776%0.76182%0.822SS**  -174.8135.276.3360000111.4
399S19.9Very low22Very low105 Ų105152.1 Ų152.173%0.73482%0.817SS**  trans56.7102.2141.165.50000122.4
400S26.9Very low21.7Very low125 Ų125152.7 Ų152.787%0.87481%0.814SS**  -160.9109.6115.2-94.40000112.8
401K22.9Very low21.8Very low199 Ų199154.3 Ų154.387%0.86582%0.822SS**  trans8.7114.5155.3-68.8174.9174.5177.90119.3
402N21.8Very low21.6Very low145 Ų145154.8 Ų154.878%0.77582%0.82SS**  27.7115.1117.7-63.41.4000118.1
403D22.5Very low21.6Very low147 Ų147156.6 Ų156.679%0.78682%0.824SS**  16197.6112.4-83.5-21000108.7
404M20.9Very low21.6Very low198 Ų198153.1 Ų153.198%0.97582%0.818SS**  trans-172.863.4157.6-105.7174.9-130.300110.4
405V21.1Very low21.6Very low144 Ų144149.7 Ų149.787%0.87381%0.814SS**  trans-134.994.5163.2-178.10000108.6
406S22.1Very low21.7Very low108 Ų108147.5 Ų147.576%0.75581%0.812SS**SBendtrans167.5145.114243.80000109.2
407N21.7Very low21.7Very low152 Ų152146.2 Ų146.281%0.81381%0.807SS**  trans91.758.9179.7-55.1-11.9000116.8
408F22.2Very low22Very low234 Ų234145.3 Ų145.3100%1.02681%0.806SS**  trans-99.874.8141.2-86.5-83.3000108.5
409G20.8Very low22.3Very low59 Ų59144 Ų14461%0.60880%0.798SS**  trans-128.8121.7169.600000108.9
410Q20.9Very low22.8Very low177 Ų177143.9 Ų143.983%0.82779%0.793SS**  trans55.499.3166.3-79.7161.6-62.400117.8
411L22.8Very low22.9Very low170 Ų170145.5 Ų145.589%0.8979%0.787SS**  trans-114.499.2151-77.1171.1000108.7I413L411-I413 PolarHBondContact O-N 2.91Å
412D19.4Very low23.6Very low146 Ų146139.1 Ų139.178%0.78177%0.768SS**  trans-58106.8160.7-78.3-39.7000108.9Q414D412-Q414 PolarHBondContact O-N 3.16Å
413I24.6Very low24.1Very low159 Ų159137.1 Ų137.182%0.81576%0.757SS**  trans-91.597.1168.5-61.6178.6000107.3L411 S415L411-I413 PolarHBondContact O-N 2.91Å; I413-S415 PolarHBondContact O-N 3.05Å
414Q20.3Very low25.1Very low169 Ų169135.5 Ų135.579%0.7975%0.747SS**  trans-52.9128.5165.8-69.8177.7-9.900110D412 T416D412-Q414 PolarHBondContact O-N 3.16Å; Q414-T416 PolarHBondContact O-N 2.94Å
415S21.1Very low26.7Very low112 Ų112128.9 Ų128.978%0.78372%0.721SS**  trans-51.5101.7171.850.40000111.6I413I413-S415 PolarHBondContact O-N 3.05Å
416T22.3Very low28.5Very low121 Ų121125.3 Ų125.374%0.74270%0.702SS**  trans-98.9113.4161.642.70000108.5Q414 V418Q414-T416 PolarHBondContact O-N 2.94Å; T416-V418 PolarHBondContact O-N 3.34Å
417N22.2Very low30Very low145 Ų145126.6 Ų126.678%0.77569%0.691SS**  trans-61.293.9175.1-74.3-26.1000110.2
418V26.2Very low32.4Very low112 Ų112123.8 Ų123.868%0.67968%0.676SS**  trans-115.263.1160.1-171.90000107.8T416 T420T416-V418 PolarHBondContact O-N 3.34Å; V418-T420 PolarHBondContact O-N 3.31Å
419T25.4Very low34.9Very low97 Ų97117.3 Ų117.360%0.59565%0.653SS**  trans-86.489.2172.244.30000109.2
420T31.3Very low37.6Very low103 Ų103117.7 Ų117.763%0.63264%0.643SS**SBendtrans-162.2-23.9151.538.60000114.9V418 L424V418-T420 PolarHBondContact O-N 3.31Å; T420-L424 WeakPolarHBondContact O-CD1 3.49Å
421E28.4Very low40.4Very low159 Ų159113.6 Ų113.674%0.74362%0.622SS**SBendtrans-100.3-28.3-177.9-68.5-170.2161.700114.7S425E421-S425 PolarHBondContact O-N 3.03Å; E421-S425 PolarHBondContact O-OG 2.84Å
422S38Very low43.1Very low65 Ų65108.6 Ų108.646%0.45559%0.593SS.*Hα-helixtrans-67.3-38.7178.154.90000112.8S425 S426S422-S425 PolarHBondContact O-OG 2.7Å; S422-S426 VanDerWaalsContact O-CB 3.27Å; S422-S426 WeakPolarHBondContact O-CB 3.45Å; S422-S426 PolarHBondContact O-N 2.87Å
423D32.9Very low46.1Very low103 Ų103102.4 Ų102.455%0.55156%0.562SS**Hα-helixtrans-74.5-37.3-176-64.4-20000111.9Y427D423-Y427 VanDerWaalsContact O-CB 3.27Å; D423-Y427 WeakPolarHBondContact O-CB 3.49Å; D423-Y427 PolarHBondContact O-N 3.44Å
424L42.9Very low49.2Very low112 Ų112101.2 Ų101.259%0.58655%0.55SS**Hα-helixtrans-67.7-41.9176-79.4164.8000111.8T420 N428T420-L424 WeakPolarHBondContact O-CD1 3.49Å; L424-N428 WeakPolarHBondContact O-CB 2.82Å; L424-N428 PolarHBondContact O-N 3.38Å; L424-N428 PolarHBondContact O-ND2 3.24Å; L424-N428 VanDerWaalsContact O-ND2 3.16Å
425S53.6Low52.4Low60 Ų6096.5 Ų96.542%0.4253%0.527SS..Hα-helixtrans-67.3-43.6176.757.90000111.5E421 S422 N428 N429E421-S425 PolarHBondContact O-N 3.03Å; E421-S425 PolarHBondContact O-OG 2.84Å; S422-S425 PolarHBondContact O-OG 2.7Å; S425-N428 PolarHBondContact O-N 3.06Å; S425-N429 WeakPolarHBondContact O-CB 3.23Å; S425-N429 PolarHBondContact O-N 3.26Å; S425-N429 PolarHBondContact O-ND2 3.2Å
426S59.8Low55.6Low68 Ų6891.4 Ų91.448%0.47649%0.491SS..Hα-helixtrans-58.9-47.8173.8-173.90000112.2S422 N428 N429 V430S422-S426 VanDerWaalsContact O-CB 3.27Å; S422-S426 WeakPolarHBondContact O-CB 3.45Å; S422-S426 PolarHBondContact O-N 2.87Å; S426-N428 PolarHBondContact O-N 3.08Å; S426-N429 PolarHBondContact O-N 3.19Å; S426-V430 WeakPolarHBondContact O-CG2 3.42Å; S426-V430 PolarHBondContact O-N 2.73Å
427Y53.8Low58.8Low135 Ų13586.2 Ų86.253%0.52946%0.46SS..Hα-helixtrans-62.2-40177.7-179.4-106.8000113.4D423 V430 K431D423-Y427 VanDerWaalsContact O-CB 3.27Å; D423-Y427 WeakPolarHBondContact O-CB 3.49Å; D423-Y427 PolarHBondContact O-N 3.44Å; Y427-V430 PolarHBondContact O-N 3.43Å; Y427-K431 HydrophobicContact CD1-CD 4.4Å; Y427-K431 HydrophobicContact CE1-CD 3.93Å; Y427-K431 PolarHBondContact O-N 2.92Å; Y427-K431 VanDerWaalsContact O-N 3.09Å; Y427-K431 WeakPolarHBondContact OH-CE 3.3Å; Y427-K431 PolarHBondContact OH-NZ 3.48Å
428N70.7Confident62.2Low93 Ų9381 Ų8150%0.49744%0.437SS..Hα-helixtrans-67.3-38.2175.5-77.1-32.9000112.3L424 S425 S426 K431 K432L424-N428 WeakPolarHBondContact O-CB 2.82Å; L424-N428 PolarHBondContact O-N 3.38Å; L424-N428 PolarHBondContact O-ND2 3.24Å; L424-N428 VanDerWaalsContact O-ND2 3.16Å; S425-N428 PolarHBondContact O-N 3.06Å; S426-N428 PolarHBondContact O-N 3.08Å; N428-K431 PolarHBondContact O-N 3.09Å; N428-K432 WeakPolarHBondContact O-CB 3.36Å; N428-K432 PolarHBondContact O-N 3.28Å
429N75.3Confident65.5Low99 Ų9975.7 Ų75.753%0.52941%0.405SS..Hα-helixtrans-64-41.7174.9-72.4-20.5000111.7S425 S426 K431 K432 S433S425-N429 WeakPolarHBondContact O-CB 3.23Å; S425-N429 PolarHBondContact O-N 3.26Å; S425-N429 PolarHBondContact O-ND2 3.2Å; S426-N429 PolarHBondContact O-N 3.19Å; N429-K431 PolarHBondContact O-N 2.94Å; N429-K432 PolarHBondContact O-N 3.12Å; N429-S433 WeakPolarHBondContact O-CB 3.49Å; N429-S433 PolarHBondContact O-N 3.09Å
430V78.2Confident68.9Low66 Ų6671.2 Ų71.240%0.438%0.377SS..Hα-helixtrans-61.4-43.6174.1173.50000111.3S426 Y427 S433 K434S426-V430 WeakPolarHBondContact O-CG2 3.42Å; S426-V430 PolarHBondContact O-N 2.73Å; Y427-V430 PolarHBondContact O-N 3.43Å; V430-S433 PolarHBondContact O-N 2.84Å; V430-K434 HydrophobicContact CG1-CD 4.41Å; V430-K434 WeakPolarHBondContact O-CG 3.4Å; V430-K434 PolarHBondContact O-N 3.36Å
431K80Confident71.9Confident91 Ų9167.5 Ų67.540%0.39636%0.355SS..Hα-helixtrans-63.5-40175.2-79.1-177.1172.81730112.6Y427 N428 N429 K435Y427-K431 HydrophobicContact CD1-CD 4.4Å; Y427-K431 HydrophobicContact CE1-CD 3.93Å; Y427-K431 PolarHBondContact O-N 2.92Å; Y427-K431 VanDerWaalsContact O-N 3.09Å; Y427-K431 WeakPolarHBondContact OH-CE 3.3Å; Y427-K431 PolarHBondContact OH-NZ 3.48Å; N428-K431 PolarHBondContact O-N 3.09Å; N429-K431 PolarHBondContact O-N 2.94Å; K431-K435 WeakPolarHBondContact O-CG 3.06Å; K431-K435 PolarHBondContact O-N 3.43Å
432K79.7Confident75.2Confident66 Ų6660.7 Ų60.729%0.28732%0.324SS..Hα-helixtrans-62.1-51175.9-175.5173.1171.6163.90110.1A327 S330 N428 N429 K434 K435 L436A327-K432 HydrophobicContact CB-CG 4.07Å; A327-K432 WeakPolarHBondContact O-CE 3.39Å; A327-K432 PolarHBondContact O-NZ 3.47Å; S330-K432 PolarHBondContact O-NZ 2.87Å; S330-K432 VanDerWaalsContact O-NZ 3.15Å; N428-K432 WeakPolarHBondContact O-CB 3.36Å; N428-K432 PolarHBondContact O-N 3.28Å; N429-K432 PolarHBondContact O-N 3.12Å; K432-K434 PolarHBondContact O-N 3.42Å; K432-K435 WeakPolarHBondContact O-CB 3.48Å; K432-K435 PolarHBondContact O-N 3.49Å; K432-K435 VanDerWaalsContact O-N 3.11Å; K432-L436 HydrophobicContact CG-CD1 4.27Å; K432-L436 WeakPolarHBondContact O-CG 3.32Å; K432-L436 PolarHBondContact O-N 2.85Å
433S81.6Confident78Confident16 Ų1657.6 Ų57.611%0.11230%0.302CS..Hα-helixtrans-55.8-46.1177.2173.80000112.6L357 N429 V430 K435 L436 S437L357-S433 WeakPolarHBondContact CB-OG 3.41Å; N429-S433 WeakPolarHBondContact O-CB 3.49Å; N429-S433 PolarHBondContact O-N 3.09Å; V430-S433 PolarHBondContact O-N 2.84Å; S433-K435 VanDerWaalsContact C-N 3.33Å; S433-K435 PolarHBondContact O-N 3.33Å; S433-L436 PolarHBondContact O-N 2.94Å; S433-L436 VanDerWaalsContact O-N 3.16Å; S433-S437 PolarHBondContact O-N 2.87Å; S433-S437 PolarHBondContact O-OG 3.07Å
434K88.9Confident81Confident134 Ų13454.4 Ų54.458%0.58328%0.282SS*.Hα-helixtrans-58-42.5176-75.1179.7179.9-177.90112.7V430 K432 S437 A438V430-K434 HydrophobicContact CG1-CD 4.41Å; V430-K434 WeakPolarHBondContact O-CG 3.4Å; V430-K434 PolarHBondContact O-N 3.36Å; K432-K434 PolarHBondContact O-N 3.42Å; K434-S437 WeakPolarHBondContact CA-OG 3.43Å; K434-S437 PolarHBondContact O-OG 3.38Å; K434-A438 WeakPolarHBondContact O-CB 3.49Å; K434-A438 PolarHBondContact O-N 3.1Å; K434-A438 VanDerWaalsContact O-N 3.1Å
435K88.5Confident83.5Confident70 Ų7052.1 Ų52.130%0.30427%0.269SS..Hα-helixtrans-66.4-38.3177.7-68.2170.9179.2-176.90112.2K323 A327 K431 K432 S433K323-K435 HydrophobicContact CB-CD 4.28Å; K323-K435 HydrophobicContact CB-CG 4.2Å; A327-K435 HydrophobicContact CB-CB 3.82Å; A327-K435 HydrophobicContact CB-CD 4.06Å; K431-K435 WeakPolarHBondContact O-CG 3.06Å; K431-K435 PolarHBondContact O-N 3.43Å; K432-K435 WeakPolarHBondContact O-CB 3.48Å; K432-K435 PolarHBondContact O-N 3.49Å; K432-K435 VanDerWaalsContact O-N 3.11Å; S433-K435 VanDerWaalsContact C-N 3.33Å; S433-K435 PolarHBondContact O-N 3.33Å
436L87.9Confident85.7Confident5 Ų549.3 Ų49.33%0.02625%0.249CC..Hα-helixtrans-64.3-49.5175.6-64.8175.4000111.4F324 A327 C328 I354 K432 S433 A438 W439 I676F324-L436 HydrophobicContact CD2-CD2 3.88Å; F324-L436 HydrophobicContact CE2-CD2 3.73Å; A327-L436 HydrophobicContact CB-CD2 4.05Å; A327-L436 HydrophobicContact CB-CG 4.31Å; C328-L436 VanDerWaalsContact SG-CD2 3.54Å; I354-L436 HydrophobicContact CD1-CD1 3.9Å; I354-L436 HydrophobicContact CG1-CD1 4.36Å; I354-L436 HydrophobicContact CG2-CD1 4.43Å; K432-L436 HydrophobicContact CG-CD1 4.27Å; K432-L436 WeakPolarHBondContact O-CG 3.32Å; K432-L436 PolarHBondContact O-N 2.85Å; S433-L436 PolarHBondContact O-N 2.94Å; S433-L436 VanDerWaalsContact O-N 3.16Å; L436-A438 VanDerWaalsContact C-N 3.26Å; L436-A438 PolarHBondContact O-N 2.98Å; L436-W439 PolarHBondContact O-N 2.76Å; L436-I676 HydrophobicContact CB-CD1 4.28Å; L436-I676 HydrophobicContact CD1-CD1 4.14Å; L436-I676 HydrophobicContact CD2-CD1 4.02Å; L436-I676 HydrophobicContact CG-CD1 4.36Å
437S89.7Confident87.4Confident11 Ų1146 Ų468%0.07723%0.226CC..Hα-helixtrans-64.3-27179.567.40000114.3A361 S433 K434 L440 S441A361-S437 WeakPolarHBondContact CB-OG 3.43Å; S433-S437 PolarHBondContact O-N 2.87Å; S433-S437 PolarHBondContact O-OG 3.07Å; K434-S437 WeakPolarHBondContact CA-OG 3.43Å; K434-S437 PolarHBondContact O-OG 3.38Å; S437-L440 PolarHBondContact O-N 3.48Å; S437-S441 PolarHBondContact O-N 2.96Å; S437-S441 PolarHBondContact O-OG 3.21Å
438A93.9Very high89.2Confident36 Ų3640.4 Ų40.430%0.29821%0.208SC..Hα-helixtrans-66.3-40.5-18000000111.9T320 K434 L436 S441 L442T320-A438 HydrophobicContact CG2-CB 3.82Å; K434-A438 WeakPolarHBondContact O-CB 3.49Å; K434-A438 PolarHBondContact O-N 3.1Å; K434-A438 VanDerWaalsContact O-N 3.1Å; L436-A438 VanDerWaalsContact C-N 3.26Å; L436-A438 PolarHBondContact O-N 2.98Å; A438-S441 WeakPolarHBondContact O-CB 3.39Å; A438-S441 PolarHBondContact O-N 3.1Å; A438-L442 WeakPolarHBondContact O-CG 3.35Å; A438-L442 PolarHBondContact O-N 2.8Å
439W95.8Very high90.3Very high0 Ų036 Ų360%018%0.184CC..Hα-helixtrans-67.2-46.5175.7178.9-106.9000111.8L317 F321 F324 L436 S441 L442 V443 P564 I567 L568 D571 Y681L317-W439 HydrophobicContact CD1-CE3 4.42Å; L317-W439 HydrophobicContact CD1-CH2 4.35Å; L317-W439 HydrophobicContact CD1-CZ3 3.63Å; L317-W439 HydrophobicContact CG-CZ3 4.46Å; F321-W439 HydrophobicContact CB-CE3 4.22Å; F321-W439 HydrophobicContact CB-CZ3 3.9Å; F321-W439 HydrophobicContact CD2-CD2 4.06Å; F321-W439 AromaticContact CD2-CE3 3.72Å; F321-W439 HydrophobicContact CD2-CE3 3.72Å; F321-W439 AromaticContact CD2-CH2 3.57Å; F321-W439 HydrophobicContact CD2-CH2 3.57Å; F321-W439 AromaticContact CD2-CZ2 3.94Å; F321-W439 HydrophobicContact CD2-CZ2 3.94Å; F321-W439 AromaticContact CD2-CZ3 3.46Å; F321-W439 HydrophobicContact CD2-CZ3 3.46Å; F321-W439 VanDerWaalsContact CD2-CZ3 3.46Å; F321-W439 AromaticContact CE2-CH2 3.99Å; F321-W439 HydrophobicContact CE2-CH2 3.99Å; F321-W439 HydrophobicContact CE2-CZ2 4.02Å; F321-W439 HydrophobicContact CE2-CZ3 4.32Å; F321-W439 HydrophobicContact CG-CE3 4.46Å; F321-W439 HydrophobicContact CG-CH2 4.38Å; F321-W439 HydrophobicContact CG-CZ3 4.05Å; F324-W439 HydrophobicContact CB-CB 4.02Å; F324-W439 HydrophobicContact CD1-CB 4.19Å; F324-W439 HydrophobicContact CD1-CD2 4.43Å; F324-W439 AromaticContact CD1-CG 4Å; F324-W439 HydrophobicContact CD1-CG 4Å; F324-W439 HydrophobicContact CD2-CB 3.49Å; F324-W439 VanDerWaalsContact CD2-CB 3.49Å; F324-W439 HydrophobicContact CD2-CG 4.07Å; F324-W439 AromaticContact CE1-CD1 3.87Å; F324-W439 HydrophobicContact CE1-CG 4.14Å; F324-W439 HydrophobicContact CE2-CB 3.95Å; F324-W439 HydrophobicContact CE2-CG 4.21Å; F324-W439 HydrophobicContact CG-CB 3.64Å; F324-W439 AromaticContact CG-CG 3.96Å; F324-W439 HydrophobicContact CG-CG 3.96Å; F324-W439 HydrophobicContact CZ-CB 4.46Å; F324-W439 AromaticContact CZ-CD1 3.78Å; F324-W439 HydrophobicContact CZ-CG 4.24Å; L436-W439 PolarHBondContact O-N 2.76Å; W439-S441 PolarHBondContact O-N 2.68Å; W439-L442 HydrophobicContact CE3-CD1 4.29Å; W439-L442 WeakPolarHBondContact O-CA 3.42Å; W439-L442 WeakPolarHBondContact O-CB 3.3Å; W439-L442 PolarHBondContact O-N 2.99Å; W439-V443 PolarHBondContact O-N 3.33Å; W439-P564 HydrophobicContact CH2-CB 4.31Å; W439-P564 HydrophobicContact CH2-CG 4.1Å; W439-P564 HydrophobicContact CZ3-CG 4.06Å; W439-I567 HydrophobicContact CZ2-CG2 4.26Å; W439-L568 HydrophobicContact CH2-CB 3.8Å; W439-L568 HydrophobicContact CH2-CD1 4.12Å; W439-L568 HydrophobicContact CH2-CG 4.5Å; W439-L568 HydrophobicContact CZ2-CB 4.11Å; W439-L568 HydrophobicContact CZ2-CD1 4.02Å; W439-D571 PolarHBondContact NE1-OD2 3.37Å; W439-Y681 AromaticContact NE1-CZ 3.94Å; W439-Y681 PolarHBondContact NE1-OH 3.31Å
440L95.3Very high91.3Very high4 Ų431.3 Ų31.32%0.02116%0.159CC..Hα-helixtrans-61.2-29.1177-64.8178.7000112.7S437 L442 V443 R444 D675 I676S437-L440 PolarHBondContact O-N 3.48Å; L440-L442 VanDerWaalsContact C-N 3.34Å; L440-V443 PolarHBondContact O-N 3.42Å; L440-R444 WeakPolarHBondContact O-CB 3.5Å; L440-R444 PolarHBondContact O-N 3.11Å; L440-D675 WeakPolarHBondContact CD2-O 3.32Å; L440-I676 HydrophobicContact CD1-CG1 4.23Å
441S95.2Very high91.9Very high25 Ų2528.3 Ų28.318%0.17514%0.141CC..Hα-helixtrans-63.3-40.1171.5-630000112.3L362 S437 A438 W439 R444 E445L362-S441 WeakPolarHBondContact CD2-OG 3.14Å; S437-S441 PolarHBondContact O-N 2.96Å; S437-S441 PolarHBondContact O-OG 3.21Å; A438-S441 WeakPolarHBondContact O-CB 3.39Å; A438-S441 PolarHBondContact O-N 3.1Å; W439-S441 PolarHBondContact O-N 2.68Å; S441-R444 PolarHBondContact O-N 2.81Å; S441-E445 WeakPolarHBondContact O-CB 3.3Å; S441-E445 VanDerWaalsContact O-CG 3.24Å; S441-E445 WeakPolarHBondContact O-CG 3.5Å; S441-E445 PolarHBondContact O-N 3.37Å
442L97.2Very high92.3Very high15 Ų1524.5 Ų24.58%0.07913%0.126CC..Hα-helixtrans-70.6-36.9177.7-59.5173.4000111.6E312 L317 T320 A438 W439 L440 E445 A446 L568E312-L442 HydrophobicContact CB-CD2 3.93Å; E312-L442 HydrophobicContact CG-CD2 3.48Å; E312-L442 VanDerWaalsContact CG-CD2 3.48Å; L317-L442 HydrophobicContact CD1-CD1 3.59Å; T320-L442 HydrophobicContact CG2-CD1 3.76Å; A438-L442 WeakPolarHBondContact O-CG 3.35Å; A438-L442 PolarHBondContact O-N 2.8Å; W439-L442 HydrophobicContact CE3-CD1 4.29Å; W439-L442 WeakPolarHBondContact O-CA 3.42Å; W439-L442 WeakPolarHBondContact O-CB 3.3Å; W439-L442 PolarHBondContact O-N 2.99Å; L440-L442 VanDerWaalsContact C-N 3.34Å; L442-E445 PolarHBondContact O-N 3.1Å; L442-A446 WeakPolarHBondContact O-CB 3.11Å; L442-A446 PolarHBondContact O-N 3.41Å; L442-L568 HydrophobicContact CB-CD1 4.46Å
443V97.7Very high92.9Very high0 Ų021.4 Ų21.40%011%0.113CC..Hα-helixtrans-59.1-51.2170.9174.60000110.1W439 L440 E445 A446 L447 L568 D571 Q575W439-V443 PolarHBondContact O-N 3.33Å; L440-V443 PolarHBondContact O-N 3.42Å; V443-E445 VanDerWaalsContact C-N 3.34Å; V443-E445 PolarHBondContact O-N 3.41Å; V443-A446 PolarHBondContact O-N 2.93Å; V443-L447 HydrophobicContact CG1-CD1 4.08Å; V443-L447 WeakPolarHBondContact O-CG 3.43Å; V443-L447 PolarHBondContact O-N 3.32Å; V443-L568 HydrophobicContact CB-CD1 4.32Å; V443-L568 HydrophobicContact CG2-CD1 3.68Å; V443-D571 HydrophobicContact CG2-CB 4.42Å; V443-Q575 HydrophobicContact CG1-CG 3.75Å
444R96.3Very high93.4Very high36 Ų3620.6 Ų20.614%0.13611%0.108CC..Hα-helixtrans-57.5-45.4176.8-170.9-168.661-109.6-12.4112L440 S441 L447 A448 L669 L674L440-R444 WeakPolarHBondContact O-CB 3.5Å; L440-R444 PolarHBondContact O-N 3.11Å; S441-R444 PolarHBondContact O-N 2.81Å; R444-L447 PolarHBondContact O-N 3.5Å; R444-A448 VanDerWaalsContact O-CB 3.28Å; R444-A448 WeakPolarHBondContact O-CB 3.47Å; R444-A448 PolarHBondContact O-N 2.8Å; R444-L669 WeakPolarHBondContact CD-O 3.25Å; R444-L669 HydrophobicContact CG-CB 4.24Å; R444-L669 HydrophobicContact CG-CD2 4.34Å; R444-L674 HydrophobicContact CB-CD1 3.54Å; R444-L674 HydrophobicContact CG-CD1 3.97Å
445E95.3Very high93.3Very high65 Ų6515 Ų1530%0.3048%0.084SC..Hα-helixtrans-64.3-41.3-179-76.2166.2-162.500112.3L311 S441 L442 V443 A448 A449L311-E445 HydrophobicContact CD2-CB 3.81Å; S441-E445 WeakPolarHBondContact O-CB 3.3Å; S441-E445 VanDerWaalsContact O-CG 3.24Å; S441-E445 WeakPolarHBondContact O-CG 3.5Å; S441-E445 PolarHBondContact O-N 3.37Å; L442-E445 PolarHBondContact O-N 3.1Å; V443-E445 VanDerWaalsContact C-N 3.34Å; V443-E445 PolarHBondContact O-N 3.41Å; E445-A448 PolarHBondContact O-N 2.7Å; E445-A449 WeakPolarHBondContact O-CB 3.21Å; E445-A449 PolarHBondContact O-N 3.13Å
446A97.9Very high93.3Very high0 Ų011.9 Ų11.90%07%0.072CC..Hα-helixtrans-63.1-45.7174.900000111.8L442 V443 A449 A450 L511 L515 L568L442-A446 WeakPolarHBondContact O-CB 3.11Å; L442-A446 PolarHBondContact O-N 3.41Å; V443-A446 PolarHBondContact O-N 2.93Å; A446-A449 PolarHBondContact O-N 2.64Å; A446-A450 PolarHBondContact O-N 3.48Å; A446-L511 HydrophobicContact CB-CD2 4.03Å; A446-L515 HydrophobicContact CB-CD1 4.27Å; A446-L568 HydrophobicContact CB-CD2 4.38Å; A446-L568 HydrophobicContact CB-CG 4.48Å
447L96.7Very high93.4Very high0 Ų011.6 Ų11.60%07%0.071CC..Hα-helixtrans-63.1-42174.9-71170.8000111.7V443 R444 A449 A450 V451 L515 C572 Q575 L576 P667 L669 L674V443-L447 HydrophobicContact CG1-CD1 4.08Å; V443-L447 WeakPolarHBondContact O-CG 3.43Å; V443-L447 PolarHBondContact O-N 3.32Å; R444-L447 PolarHBondContact O-N 3.5Å; L447-A449 PolarHBondContact O-N 2.86Å; L447-A450 CarbonylContact O-C 3.53Å; L447-A450 WeakPolarHBondContact O-CB 3.38Å; L447-A450 PolarHBondContact O-N 2.89Å; L447-A450 VanDerWaalsContact O-N 3.15Å; L447-V451 WeakPolarHBondContact O-CG2 3.21Å; L447-V451 PolarHBondContact O-N 3.18Å; L447-L515 HydrophobicContact CD2-CD1 4.48Å; L447-C572 HydrophobicContact CD2-CB 3.76Å; L447-C572 HydrophobicContact CG-CB 4.08Å; L447-Q575 HydrophobicContact CD1-CB 4.25Å; L447-Q575 HydrophobicContact CD1-CG 4.44Å; L447-L576 HydrophobicContact CD2-CD1 4.24Å; L447-L576 HydrophobicContact CD2-CG 4.3Å; L447-P667 HydrophobicContact CB-CG 4.27Å; L447-P667 HydrophobicContact CD1-CB 4.35Å; L447-P667 HydrophobicContact CD2-CB 4.39Å; L447-P667 HydrophobicContact CD2-CG 4.18Å; L447-L669 HydrophobicContact CB-CD2 3.5Å; L447-L669 VanDerWaalsContact CB-CD2 3.5Å; L447-L669 HydrophobicContact CD1-CD2 4.39Å; L447-L674 HydrophobicContact CD1-CD2 4.05Å
448A91.8Very high93.1Very high17 Ų1712 Ų1214%0.147%0.072CC..Hα-helixtrans-63.5-39.4177.700000112.5R444 E445 A450 V451 A452 L669R444-A448 VanDerWaalsContact O-CB 3.28Å; R444-A448 WeakPolarHBondContact O-CB 3.47Å; R444-A448 PolarHBondContact O-N 2.8Å; E445-A448 PolarHBondContact O-N 2.7Å; A448-A450 VanDerWaalsContact C-N 3.34Å; A448-V451 PolarHBondContact O-N 2.91Å; A448-A452 PolarHBondContact O-N 3.07Å; A448-L669 HydrophobicContact CB-CD1 3.87Å
449A94.1Very high92.1Very high1 Ų111.2 Ų11.21%0.0087%0.065CC..Hα-helixtrans-63.6-41.5172.800000111.5L277 L279 R309 L311 E445 A446 L447 A452 G453 V512L277-A449 WeakPolarHBondContact CD2-O 3.42Å; L279-A449 HydrophobicContact CD2-CB 4.01Å; R309-A449 HydrophobicContact CB-CB 3.9Å; R309-A449 HydrophobicContact CG-CB 4.44Å; L311-A449 HydrophobicContact CD1-CB 4.48Å; L311-A449 HydrophobicContact CD2-CB 4.43Å; E445-A449 WeakPolarHBondContact O-CB 3.21Å; E445-A449 PolarHBondContact O-N 3.13Å; A446-A449 PolarHBondContact O-N 2.64Å; L447-A449 PolarHBondContact O-N 2.86Å; A449-A452 PolarHBondContact O-N 3.25Å; A449-G453 PolarHBondContact O-N 3.07Å; A449-G453 VanDerWaalsContact O-N 3.14Å; A449-V512 HydrophobicContact CB-CG1 4.28Å; A449-V512 HydrophobicContact CB-CG2 3.9Å
450A95.5Very high90.6Very high0 Ų016.6 Ų16.60%09%0.093CC..Hα-helixtrans-65.7-42.4176.400000112.5A446 L447 A448 A452 G453 A454 L515 I516 I519A446-A450 PolarHBondContact O-N 3.48Å; L447-A450 CarbonylContact O-C 3.53Å; L447-A450 WeakPolarHBondContact O-CB 3.38Å; L447-A450 PolarHBondContact O-N 2.89Å; L447-A450 VanDerWaalsContact O-N 3.15Å; A448-A450 VanDerWaalsContact C-N 3.34Å; A450-A452 VanDerWaalsContact C-N 3.34Å; A450-A452 PolarHBondContact O-N 3.41Å; A450-G453 PolarHBondContact O-N 2.89Å; A450-A454 VanDerWaalsContact O-CB 3.31Å; A450-A454 WeakPolarHBondContact O-CB 3.4Å; A450-A454 PolarHBondContact O-N 2.87Å; A450-L515 HydrophobicContact CB-CB 3.43Å; A450-L515 VanDerWaalsContact CB-CB 3.43Å; A450-L515 HydrophobicContact CB-CD1 4.28Å; A450-I516 HydrophobicContact CB-CG1 4.25Å; A450-I516 WeakPolarHBondContact O-CG1 3.13Å; A450-I519 HydrophobicContact CB-CD1 3.8Å
451V91.2Very high89.1Confident3 Ų318.4 Ų18.42%0.01810%0.103CC..Hα-helixtrans-57.8-47.4173.8169.90000110.3L447 A448 G453 A454 T455 L468 I519 W666 P667 L669L447-V451 WeakPolarHBondContact O-CG2 3.21Å; L447-V451 PolarHBondContact O-N 3.18Å; A448-V451 PolarHBondContact O-N 2.91Å; V451-G453 VanDerWaalsContact C-N 3.31Å; V451-G453 PolarHBondContact O-N 3.09Å; V451-A454 PolarHBondContact O-N 3.12Å; V451-T455 WeakPolarHBondContact O-CB 3.42Å; V451-T455 PolarHBondContact O-N 2.78Å; V451-T455 PolarHBondContact O-OG1 3.44Å; V451-L468 HydrophobicContact CG1-CD1 4.48Å; V451-I519 HydrophobicContact CG2-CD1 4.31Å; V451-W666 HydrophobicContact CG1-CE3 4.31Å; V451-W666 HydrophobicContact CG1-CZ3 4.41Å; V451-P667 HydrophobicContact CG2-CG 3.6Å; V451-L669 HydrophobicContact CG2-CD1 4.48Å
452A88.7Confident87.4Confident10 Ų1020.5 Ų20.58%0.08312%0.122CC..Hα-helixtrans-58.3-41.8177.900000112.7L277 R309 A448 A449 A450 A456 L468L277-A452 HydrophobicContact CD1-CB 4.36Å; R309-A452 HydrophobicContact CG-CB 4.22Å; A448-A452 PolarHBondContact O-N 3.07Å; A449-A452 PolarHBondContact O-N 3.25Å; A450-A452 VanDerWaalsContact C-N 3.34Å; A450-A452 PolarHBondContact O-N 3.41Å; A452-A456 WeakPolarHBondContact O-CB 3.47Å; A452-A456 PolarHBondContact O-N 3.22Å; A452-L468 HydrophobicContact CB-CD1 4.29Å
453G92.5Very high85.7Confident1 Ų125.7 Ų25.71%0.0114%0.144CC..Hα-helixtrans-69.1-42.7175.600000113.3A449 A450 V451 A456 L457A449-G453 PolarHBondContact O-N 3.07Å; A449-G453 VanDerWaalsContact O-N 3.14Å; A450-G453 PolarHBondContact O-N 2.89Å; V451-G453 VanDerWaalsContact C-N 3.31Å; V451-G453 PolarHBondContact O-N 3.09Å; G453-A456 PolarHBondContact O-N 2.76Å; G453-L457 PolarHBondContact O-N 3.19Å; G453-L457 VanDerWaalsContact O-N 3.15Å
454A91.8Very high83.8Confident0 Ų025.7 Ų25.70%014%0.144CC..Hα-helixtrans-65.7-43.5179.300000111.9A450 V451 A456 L457 D458 I516 I519 L520 W666A450-A454 VanDerWaalsContact O-CB 3.31Å; A450-A454 WeakPolarHBondContact O-CB 3.4Å; A450-A454 PolarHBondContact O-N 2.87Å; V451-A454 PolarHBondContact O-N 3.12Å; A454-A456 VanDerWaalsContact C-N 3.3Å; A454-A456 PolarHBondContact O-N 3.01Å; A454-L457 PolarHBondContact O-N 2.95Å; A454-D458 PolarHBondContact O-N 2.7Å; A454-I516 HydrophobicContact CB-CG2 4.26Å; A454-I519 HydrophobicContact CB-CB 4.26Å; A454-I519 HydrophobicContact CB-CD1 4.5Å; A454-I519 HydrophobicContact CB-CG2 3.79Å; A454-L520 HydrophobicContact CB-CD1 4.01Å; A454-L520 HydrophobicContact CB-CD2 4.05Å; A454-L520 HydrophobicContact CB-CG 3.85Å; A454-W666 HydrophobicContact CB-CH2 3.9Å; A454-W666 HydrophobicContact CB-CZ3 3.65Å
455T86.6Confident82Confident15 Ų1528 Ų289%0.09216%0.157CC..Hα-helixtrans-61.7-38.7175.7-56.30000111.5V451 L457 A459 Q465 L468 W666V451-T455 WeakPolarHBondContact O-CB 3.42Å; V451-T455 PolarHBondContact O-N 2.78Å; V451-T455 PolarHBondContact O-OG1 3.44Å; T455-L457 VanDerWaalsContact C-N 3.34Å; T455-L457 PolarHBondContact O-N 2.98Å; T455-A459 WeakPolarHBondContact O-CA 3.42Å; T455-A459 PolarHBondContact O-N 3.42Å; T455-Q465 HydrophobicContact CG2-CG 4.21Å; T455-L468 HydrophobicContact CG2-CD2 3.94Å; T455-W666 WeakPolarHBondContact OG1-CZ3 3.42Å
456A87.9Confident80.6Confident5 Ų530 Ų304%0.04117%0.166CC..Hα-helixtrans-65.8-34.6176.400000113V275 A452 G453 A454 S496 V498V275-A456 HydrophobicContact CG2-CB 4.16Å; A452-A456 WeakPolarHBondContact O-CB 3.47Å; A452-A456 PolarHBondContact O-N 3.22Å; G453-A456 PolarHBondContact O-N 2.76Å; A454-A456 VanDerWaalsContact C-N 3.3Å; A454-A456 PolarHBondContact O-N 3.01Å; A456-S496 PolarHBondContact O-N 3.23Å; A456-V498 HydrophobicContact CB-CG2 3.73Å
457L89.2Confident79.1Confident0 Ų031 Ų310%017%0.171CC..Hα-helixtrans-73.2-47.7177.1-74.3171.2000112.9R193 T195 L197 G453 A454 T455 V498 I516 L520R193-L457 WeakPolarHBondContact CG-O 3.4Å; T195-L457 PolarHBondContact OG1-O 3.03Å; T195-L457 VanDerWaalsContact OG1-O 3.1Å; L197-L457 HydrophobicContact CB-CD1 4.09Å; L197-L457 HydrophobicContact CD1-CD1 4.37Å; G453-L457 PolarHBondContact O-N 3.19Å; G453-L457 VanDerWaalsContact O-N 3.15Å; A454-L457 PolarHBondContact O-N 2.95Å; T455-L457 VanDerWaalsContact C-N 3.34Å; T455-L457 PolarHBondContact O-N 2.98Å; L457-V498 HydrophobicContact CD2-CB 3.99Å; L457-V498 HydrophobicContact CD2-CG2 3.78Å; L457-V498 HydrophobicContact CG-CB 4.13Å; L457-V498 HydrophobicContact CG-CG2 3.67Å; L457-I516 HydrophobicContact CD1-CG2 3.44Å; L457-I516 VanDerWaalsContact CD1-CG2 3.44Å; L457-L520 HydrophobicContact CB-CD1 3.81Å; L457-L520 HydrophobicContact CD1-CD1 3.84Å; L457-L520 HydrophobicContact CG-CD1 4.5Å
458D85.3Confident77.5Confident19 Ų1932.3 Ų32.310%0.10218%0.177CC..Hα-helixtrans-89.7-44.6-170.3175.563.2000113.5H190 R193 A454 L460 L520H190-D458 IonicContact CE1-OD1 3.48Å; H190-D458 IonicContact NE2-OD1 2.83Å; H190-D458 PolarHBondContact NE2-OD1 3.41Å; R193-D458 WeakPolarHBondContact CG-O 3.43Å; R193-D458 VanDerWaalsContact CZ-O 3.27Å; R193-D458 PolarHBondContact NE-O 2.76Å; R193-D458 PolarHBondContact NH2-O 3.39Å; A454-D458 PolarHBondContact O-N 2.7Å; D458-L460 PolarHBondContact O-N 2.91Å; D458-L460 WeakPolarHBondContact OD2-CB 3.12Å; D458-L460 PolarHBondContact OD2-N 3.33Å; D458-L520 HydrophobicContact CB-CD1 4.48Å; D458-L520 HydrophobicContact CB-CD2 3.87Å
459A72.1Confident76.4Confident19 Ų1937.8 Ų37.816%0.15720%0.2CC..  trans50.313.7178.200000117.6T455 Q465T455-A459 WeakPolarHBondContact O-CA 3.42Å; T455-A459 PolarHBondContact O-N 3.42Å; A459-Q465 PolarHBondContact O-NE2 2.95Å
460L65Low75.3Confident114 Ų11443.5 Ų43.560%0.59723%0.226SC*.  trans-101-32.9-174.1-151.5156.4000111.6R193 D458 A462R193-L460 VanDerWaalsContact NH2-CA 3.33Å; R193-L460 VanDerWaalsContact NH2-CG 3.34Å; D458-L460 PolarHBondContact O-N 2.91Å; D458-L460 WeakPolarHBondContact OD2-CB 3.12Å; D458-L460 PolarHBondContact OD2-N 3.33Å; L460-A462 PolarHBondContact O-N 3.14Å
461D63.3Low74Confident41 Ų4145 Ų4522%0.21923%0.234CC..  trans-82.5106.5-172.6-162.2-38.2000113.2F463 A464 Q465 W666D461-F463 VanDerWaalsContact C-N 3.28Å; D461-F463 PolarHBondContact O-N 3.08Å; D461-F463 WeakPolarHBondContact OD1-CA 3.14Å; D461-F463 VanDerWaalsContact OD1-CB 3.29Å; D461-F463 WeakPolarHBondContact OD1-CB 3.4Å; D461-F463 PolarHBondContact OD1-N 3.41Å; D461-A464 HydrophobicContact CB-CB 3.79Å; D461-A464 PolarHBondContact O-N 3.21Å; D461-A464 PolarHBondContact OD1-N 2.89Å; D461-A464 VanDerWaalsContact OD1-N 3.15Å; D461-Q465 VanDerWaalsContact O-CG 3.23Å; D461-Q465 WeakPolarHBondContact O-CG 3.39Å; D461-Q465 PolarHBondContact O-N 2.83Å; D461-Q465 VanDerWaalsContact O-N 3.1Å; D461-W666 HydrophobicContact CB-CZ2 4.02Å; D461-W666 VanDerWaalsContact CG-NE1 3.31Å; D461-W666 PolarHBondContact OD2-NE1 2.89Å
462A59.6Low72.8Confident69 Ų6946 Ų4657%0.5724%0.238SC*.Hα-helixtrans-63.6-31.217700000113L460 Q465 Q466L460-A462 PolarHBondContact O-N 3.14Å; A462-Q465 WeakPolarHBondContact O-CB 3.44Å; A462-Q465 PolarHBondContact O-N 3.09Å; A462-Q466 PolarHBondContact O-N 3.44Å
463F60.2Low71.7Confident124 Ų12449 Ų4954%0.54426%0.258SS..Hα-helixtrans-70.9-45178.4179.8-95.4000110.7D461 Q465 Q466 Q467D461-F463 VanDerWaalsContact C-N 3.28Å; D461-F463 PolarHBondContact O-N 3.08Å; D461-F463 WeakPolarHBondContact OD1-CA 3.14Å; D461-F463 VanDerWaalsContact OD1-CB 3.29Å; D461-F463 WeakPolarHBondContact OD1-CB 3.4Å; D461-F463 PolarHBondContact OD1-N 3.41Å; F463-Q465 VanDerWaalsContact C-N 3.25Å; F463-Q465 PolarHBondContact O-N 2.97Å; F463-Q466 WeakPolarHBondContact O-CB 3.37Å; F463-Q466 PolarHBondContact O-N 3.31Å; F463-Q466 VanDerWaalsContact O-N 3.14Å; F463-Q467 PolarHBondContact O-N 2.98Å
464A58.4Low70.6Confident1 Ų152.3 Ų52.31%0.00827%0.274CS..Hα-helixtrans-57.8-40.6173.100000112.3D461 Q467 L468 W666D461-A464 HydrophobicContact CB-CB 3.79Å; D461-A464 PolarHBondContact O-N 3.21Å; D461-A464 PolarHBondContact OD1-N 2.89Å; D461-A464 VanDerWaalsContact OD1-N 3.15Å; A464-Q467 PolarHBondContact O-N 3.28Å; A464-L468 WeakPolarHBondContact O-CB 3.47Å; A464-L468 PolarHBondContact O-N 3.46Å; A464-W666 HydrophobicContact CB-CD2 3.25Å; A464-W666 HydrophobicContact CB-CE3 3.58Å; A464-W666 HydrophobicContact CB-CG 3.7Å; A464-W666 HydrophobicContact CB-CH2 3.91Å; A464-W666 HydrophobicContact CB-CZ2 3.6Å; A464-W666 HydrophobicContact CB-CZ3 3.89Å
465Q59.1Low69.2Low84 Ų8454.9 Ų54.939%0.39329%0.288SS..Hα-helixtrans-63.1-44.7175.3-70.7167.717.200111.8T455 A459 D461 A462 F463 Q467 L468 Q469T455-Q465 HydrophobicContact CG2-CG 4.21Å; A459-Q465 PolarHBondContact O-NE2 2.95Å; D461-Q465 VanDerWaalsContact O-CG 3.23Å; D461-Q465 WeakPolarHBondContact O-CG 3.39Å; D461-Q465 PolarHBondContact O-N 2.83Å; D461-Q465 VanDerWaalsContact O-N 3.1Å; A462-Q465 WeakPolarHBondContact O-CB 3.44Å; A462-Q465 PolarHBondContact O-N 3.09Å; F463-Q465 VanDerWaalsContact C-N 3.25Å; F463-Q465 PolarHBondContact O-N 2.97Å; Q465-Q467 VanDerWaalsContact C-N 3.32Å; Q465-Q467 PolarHBondContact O-N 2.92Å; Q465-L468 PolarHBondContact O-N 3.23Å; Q465-Q469 WeakPolarHBondContact O-CB 3.37Å; Q465-Q469 PolarHBondContact O-N 3.29Å
466Q66.3Low68Low108 Ų10856.3 Ų56.351%0.50530%0.301SS..Hα-helixtrans-61.2-42.2177.5-172.2179.67.300111.2A462 F463 Q469 Q470A462-Q466 PolarHBondContact O-N 3.44Å; F463-Q466 WeakPolarHBondContact O-CB 3.37Å; F463-Q466 PolarHBondContact O-N 3.31Å; F463-Q466 VanDerWaalsContact O-N 3.14Å; Q466-Q469 PolarHBondContact O-N 2.89Å; Q466-Q470 WeakPolarHBondContact O-CG 3.49Å; Q466-Q470 PolarHBondContact O-N 2.9Å
467Q65.5Low66.9Low21 Ų2162.3 Ų62.310%0.09833%0.328CS..Hα-helixtrans-66.7-44.3177.6-171.1179.4-17.200112.3F463 A464 Q465 Q469 Q470 E471 P667F463-Q467 PolarHBondContact O-N 2.98Å; A464-Q467 PolarHBondContact O-N 3.28Å; Q465-Q467 VanDerWaalsContact C-N 3.32Å; Q465-Q467 PolarHBondContact O-N 2.92Å; Q467-Q469 PolarHBondContact O-N 3.01Å; Q467-Q470 PolarHBondContact O-N 2.88Å; Q467-E471 PolarHBondContact O-N 3.14Å; Q467-P667 PolarHBondContact NE2-O 3.45Å; Q467-P667 PolarHBondContact OE1-O 3.38Å
468L63.5Low65.6Low27 Ų2767.7 Ų67.714%0.14135%0.352CS..Hα-helixtrans-57.6-39.9174-178.266.8000111.1V451 A452 T455 A464 Q465 E471 Q472V451-L468 HydrophobicContact CG1-CD1 4.48Å; A452-L468 HydrophobicContact CB-CD1 4.29Å; T455-L468 HydrophobicContact CG2-CD2 3.94Å; A464-L468 WeakPolarHBondContact O-CB 3.47Å; A464-L468 PolarHBondContact O-N 3.46Å; Q465-L468 PolarHBondContact O-N 3.23Å; L468-E471 PolarHBondContact O-N 3.22Å; L468-Q472 WeakPolarHBondContact O-CB 3.44Å; L468-Q472 WeakPolarHBondContact O-CG 3.37Å; L468-Q472 PolarHBondContact O-N 3.36Å
469Q68.3Low64.4Low131 Ų13171.2 Ų71.261%0.61237%0.368SS*.Hα-helixtrans-67.8-37.9177.7-167.2170.620.800112.6Q465 Q466 Q467 Q472 C473Q465-Q469 WeakPolarHBondContact O-CB 3.37Å; Q465-Q469 PolarHBondContact O-N 3.29Å; Q466-Q469 PolarHBondContact O-N 2.89Å; Q467-Q469 PolarHBondContact O-N 3.01Å; Q469-Q472 PolarHBondContact O-N 3.36Å; Q469-C473 WeakPolarHBondContact O-CB 3.36Å; Q469-C473 PolarHBondContact O-N 2.82Å
470Q71.4Confident63.4Low121 Ų12181.4 Ų81.457%0.56540%0.402SS*.Hα-helixtrans-63.9-48.1173.5-72.9175.27.200111.6Q466 Q467 Q472 C473 L474Q466-Q470 WeakPolarHBondContact O-CG 3.49Å; Q466-Q470 PolarHBondContact O-N 2.9Å; Q467-Q470 PolarHBondContact O-N 2.88Å; Q470-Q472 VanDerWaalsContact C-N 3.32Å; Q470-Q472 PolarHBondContact O-N 2.9Å; Q470-C473 WeakPolarHBondContact O-CB 3.36Å; Q470-C473 PolarHBondContact O-N 2.86Å; Q470-L474 WeakPolarHBondContact O-CB 3.39Å; Q470-L474 PolarHBondContact O-N 3.21Å
471E68.7Low62.7Low33 Ų3388.3 Ų88.315%0.15442%0.42CS..Hα-helixtrans-60-41175.1-81.3-7315400112Q467 L468 L474 L475 L669Q467-E471 PolarHBondContact O-N 3.14Å; L468-E471 PolarHBondContact O-N 3.22Å; E471-L474 PolarHBondContact O-N 3Å; E471-L475 WeakPolarHBondContact O-CB 3.23Å; E471-L475 WeakPolarHBondContact O-CG 3.29Å; E471-L475 PolarHBondContact O-N 3.36Å; E471-L669 HydrophobicContact CG-CB 4.46Å; E471-L669 HydrophobicContact CG-CD1 3.78Å; E471-L669 VanDerWaalsContact OE1-CB 3.25Å; E471-L669 WeakPolarHBondContact OE1-CB 3.49Å
472Q66.2Low61.7Low24 Ų2488.9 Ų88.911%0.11243%0.43CS..Hα-helixtrans-63.1-42.4174.2-77.9166-7.300112.1L468 Q469 Q470 L474 L475 A476 E490L468-Q472 WeakPolarHBondContact O-CB 3.44Å; L468-Q472 WeakPolarHBondContact O-CG 3.37Å; L468-Q472 PolarHBondContact O-N 3.36Å; Q469-Q472 PolarHBondContact O-N 3.36Å; Q470-Q472 VanDerWaalsContact C-N 3.32Å; Q470-Q472 PolarHBondContact O-N 2.9Å; Q472-L474 VanDerWaalsContact C-N 3.31Å; Q472-L474 PolarHBondContact O-N 3.5Å; Q472-L475 PolarHBondContact O-N 3.34Å; Q472-A476 WeakPolarHBondContact O-CB 3.41Å; Q472-A476 PolarHBondContact O-N 3.3Å; Q472-E490 PolarHBondContact NE2-OE2 3.15Å
473C65.1Low61.2Low72 Ų7289.3 Ų89.349%0.48643%0.429SS..Hα-helixtrans-60.3-44.9175.8-164.70000110.4Q469 Q470 L475 A476 E477Q469-C473 WeakPolarHBondContact O-CB 3.36Å; Q469-C473 PolarHBondContact O-N 2.82Å; Q470-C473 WeakPolarHBondContact O-CB 3.36Å; Q470-C473 PolarHBondContact O-N 2.86Å; C473-L475 PolarHBondContact O-N 3.39Å; C473-A476 PolarHBondContact O-N 3.37Å; C473-E477 WeakPolarHBondContact O-CG 3.49Å; C473-E477 PolarHBondContact O-N 3.42Å
474L69Low60.4Low70 Ų7093 Ų9337%0.36645%0.445SS..Hα-helixtrans-66-38.6179.3-152.4149.2000112Q470 E471 Q472 K478Q470-L474 WeakPolarHBondContact O-CB 3.39Å; Q470-L474 PolarHBondContact O-N 3.21Å; E471-L474 PolarHBondContact O-N 3Å; Q472-L474 VanDerWaalsContact C-N 3.31Å; Q472-L474 PolarHBondContact O-N 3.5Å; L474-K478 HydrophobicContact CD2-CD 4.36Å; L474-K478 WeakPolarHBondContact O-CG 3.28Å; L474-K478 PolarHBondContact O-N 2.66Å; L474-K478 VanDerWaalsContact O-N 3.15Å
475L62.9Low59.8Low54 Ų5499.1 Ų99.128%0.28348%0.478SS..Hα-helixtrans-69.2-40171.5-74.4171.2000112.4R309 E471 Q472 C473 E477 K478 Q479R309-L475 VanDerWaalsContact NH1-CD1 3.31Å; E471-L475 WeakPolarHBondContact O-CB 3.23Å; E471-L475 WeakPolarHBondContact O-CG 3.29Å; E471-L475 PolarHBondContact O-N 3.36Å; Q472-L475 PolarHBondContact O-N 3.34Å; C473-L475 PolarHBondContact O-N 3.39Å; L475-E477 VanDerWaalsContact C-N 3.34Å; L475-K478 CarbonylContact O-C 3.56Å; L475-K478 WeakPolarHBondContact O-CB 3.46Å; L475-K478 PolarHBondContact O-N 2.88Å; L475-Q479 WeakPolarHBondContact O-CA 3.46Å; L475-Q479 WeakPolarHBondContact O-CB 3.37Å; L475-Q479 WeakPolarHBondContact O-CG 3.47Å; L475-Q479 PolarHBondContact O-N 3.42Å
476A61.2Low59.3Low45 Ų4599.5 Ų99.537%0.37248%0.48SS..Hα-helixtrans-67.7-34178.100000111.8Q472 C473 Q479 R480Q472-A476 WeakPolarHBondContact O-CB 3.41Å; Q472-A476 PolarHBondContact O-N 3.3Å; C473-A476 PolarHBondContact O-N 3.37Å; A476-Q479 CarbonylContact O-C 3.55Å; A476-Q479 PolarHBondContact O-N 2.86Å; A476-R480 PolarHBondContact O-N 2.92Å
477E65.2Low58.4Low131 Ų13197.1 Ų97.161%0.61248%0.475SS*.Hα-helixtrans-64.3-46.2169.7-76.2-179173.300111.5C473 L475 Q479C473-E477 WeakPolarHBondContact O-CG 3.49Å; C473-E477 PolarHBondContact O-N 3.42Å; L475-E477 VanDerWaalsContact C-N 3.34Å; E477-Q479 PolarHBondContact O-N 3.11Å
478K62.4Low57.4Low114 Ų114102.5 Ų102.550%0.49650%0.503SS..Hα-helixtrans-62-33171.6-74.8177.2178.4173.40112.1L474 L475L474-K478 HydrophobicContact CD2-CD 4.36Å; L474-K478 WeakPolarHBondContact O-CG 3.28Å; L474-K478 PolarHBondContact O-N 2.66Å; L474-K478 VanDerWaalsContact O-N 3.15Å; L475-K478 CarbonylContact O-C 3.56Å; L475-K478 WeakPolarHBondContact O-CB 3.46Å; L475-K478 PolarHBondContact O-N 2.88Å
479Q58.9Low56.5Low93 Ų93104.2 Ų104.244%0.43551%0.511SS..THydrogen-bonded Turntrans-106.237.2-177.2-63.1-179.45.300112.4L475 A476 E477 R481 A482L475-Q479 WeakPolarHBondContact O-CA 3.46Å; L475-Q479 WeakPolarHBondContact O-CB 3.37Å; L475-Q479 WeakPolarHBondContact O-CG 3.47Å; L475-Q479 PolarHBondContact O-N 3.42Å; A476-Q479 CarbonylContact O-C 3.55Å; A476-Q479 PolarHBondContact O-N 2.86Å; E477-Q479 PolarHBondContact O-N 3.11Å; Q479-R481 CarbonylContact O-C 3.6Å; Q479-R481 PolarHBondContact O-N 3.06Å; Q479-A482 HydrophobicContact CB-CB 4.31Å; Q479-A482 PolarHBondContact O-N 3.36Å
480R51.9Low55.5Low232 Ų23299.6 Ų99.688%0.87549%0.489SS*.THydrogen-bonded Turntrans-55.713176.2-109.2-177.9170-162.9-0.9116.2A476A476-R480 PolarHBondContact O-N 2.92Å
481R50.7Low54.3Low260 Ų26097.7 Ų97.798%0.98149%0.494SS*.THydrogen-bonded Turntrans-112.88.9164.4-65.5-174.8-176.3167.21.7115.2Q479Q479-R481 CarbonylContact O-C 3.6Å; Q479-R481 PolarHBondContact O-N 3.06Å
482A41.6Very low53.4Low52 Ų52101.7 Ų101.743%0.4351%0.511SS..SBendtrans-112.6136.1172.300000110.7Q479Q479-A482 HydrophobicContact CB-CB 4.31Å; Q479-A482 PolarHBondContact O-N 3.36Å
483S49Very low52.8Low78 Ų78101.6 Ų101.655%0.54551%0.512SS..  trans-58.1140.1-166.248.70000115.6D485S483-D485 PolarHBondContact O-N 3.32Å
484K43.3Very low52.4Low201 Ų201108 Ų10887%0.87453%0.525SS*.THydrogen-bonded Turntrans-51.7-19.2175.5-92-179.9171.6-179.50115.8Q486K484-Q486 PolarHBondContact O-N 2.87Å
485D45.8Very low52.5Low131 Ų131105.4 Ų105.470%0.70152%0.516SS*.Hα-helixtrans-76.4-15.8-172.5-67.1-30.8000114.8S483S483-D485 PolarHBondContact O-N 3.32Å
486Q49Very low53.7Low92 Ų92103 Ų10343%0.4350%0.503SS..Hα-helixtrans-70.4-39.9-178.8-93.2177.4-21.100113.1K484 E490K484-Q486 PolarHBondContact O-N 2.87Å; Q486-E490 PolarHBondContact O-N 3.43Å
487S47.2Very low55.2Low57 Ų57100.8 Ų100.840%0.39949%0.485SS..Hα-helixtrans-71.3-42.4-169.1-47.80000114.2E489S487-E489 VanDerWaalsContact C-N 3.34Å; S487-E489 PolarHBondContact O-N 2.65Å
488L43.3Very low56.6Low134 Ų13494.6 Ų94.670%0.70246%0.456SS*.Hα-helixtrans-69.5-33.3-175.8-176.362.8000112.5
489E45.6Very low58.3Low64 Ų6489.2 Ų89.230%0.29943%0.433SS..Hα-helixtrans-84.7-24.4-174.5-73.4-65.3144.900112.3R305 S487 A491 K492R305-E489 VanDerWaalsContact NH1-CB 3.31Å; R305-E489 PolarHBondContact NH1-O 2.93Å; S487-E489 VanDerWaalsContact C-N 3.34Å; S487-E489 PolarHBondContact O-N 2.65Å; E489-A491 VanDerWaalsContact C-N 3.26Å; E489-A491 PolarHBondContact O-N 3.45Å; E489-K492 WeakPolarHBondContact O-CB 3.19Å; E489-K492 PolarHBondContact O-N 2.72Å; E489-K492 VanDerWaalsContact O-N 3.08Å; E489-K492 WeakPolarHBondContact OE1-CE 3.26Å; E489-K492 IonicContact OE1-NZ 2.76Å; E489-K492 PolarHBondContact OE1-NZ 3.39Å; E489-K492 VanDerWaalsContact OE2-CD 3.27Å; E489-K492 WeakPolarHBondContact OE2-CD 3.15Å; E489-K492 VanDerWaalsContact OE2-CE 3.31Å; E489-K492 WeakPolarHBondContact OE2-CE 3.1Å; E489-K492 IonicContact OE2-NZ 2.62Å; E489-K492 PolarHBondContact OE2-NZ 3.39Å
490E48Very low60.2Low33 Ų3384.8 Ų84.815%0.15441%0.412CS..Hα-helixtrans-64.7-29176.6-79.1179.8-171.800112.2Q472 Q486 K492 L493Q472-E490 PolarHBondContact NE2-OE2 3.15Å; Q486-E490 PolarHBondContact O-N 3.43Å; E490-K492 PolarHBondContact O-N 3.46Å; E490-K492 VanDerWaalsContact O-N 3.1Å; E490-L493 HydrophobicContact CB-CD1 4.47Å; E490-L493 HydrophobicContact CG-CD1 4.39Å; E490-L493 WeakPolarHBondContact O-CB 3.39Å; E490-L493 WeakPolarHBondContact O-CG 3.24Å; E490-L493 PolarHBondContact O-N 3.4Å
491A45.2Very low62.2Low82 Ų8273.8 Ų73.868%0.67837%0.371SS*.THydrogen-bonded Turntrans-62.3-14.3171.300000114E489 L493E489-A491 VanDerWaalsContact C-N 3.26Å; E489-A491 PolarHBondContact O-N 3.45Å; A491-L493 VanDerWaalsContact C-N 3.35Å
492K49.7Very low64.3Low116 Ų11661.5 Ų61.550%0.50433%0.325SS..THydrogen-bonded Turntrans-85.2-3.8174.9-62.4-170.9-168.1157.30113.9E489 E490 R494E489-K492 WeakPolarHBondContact O-CB 3.19Å; E489-K492 PolarHBondContact O-N 2.72Å; E489-K492 VanDerWaalsContact O-N 3.08Å; E489-K492 WeakPolarHBondContact OE1-CE 3.26Å; E489-K492 IonicContact OE1-NZ 2.76Å; E489-K492 PolarHBondContact OE1-NZ 3.39Å; E489-K492 VanDerWaalsContact OE2-CD 3.27Å; E489-K492 WeakPolarHBondContact OE2-CD 3.15Å; E489-K492 VanDerWaalsContact OE2-CE 3.31Å; E489-K492 WeakPolarHBondContact OE2-CE 3.1Å; E489-K492 IonicContact OE2-NZ 2.62Å; E489-K492 PolarHBondContact OE2-NZ 3.39Å; E490-K492 PolarHBondContact O-N 3.46Å; E490-K492 VanDerWaalsContact O-N 3.1Å; K492-R494 PolarHBondContact O-N 2.76Å
493L53.2Low66.7Low23 Ų2362 Ų6212%0.1232%0.315CS..  trans-75.464.4175.2-63.9170000109.9V275 V307 E490 A491V275-L493 HydrophobicContact CG2-CB 4.47Å; V275-L493 HydrophobicContact CG2-CD1 3.77Å; V275-L493 HydrophobicContact CG2-CD2 3.32Å; V275-L493 HydrophobicContact CG2-CG 4.01Å; V307-L493 HydrophobicContact CG2-CD1 4.17Å; E490-L493 HydrophobicContact CB-CD1 4.47Å; E490-L493 HydrophobicContact CG-CD1 4.39Å; E490-L493 WeakPolarHBondContact O-CB 3.39Å; E490-L493 WeakPolarHBondContact O-CG 3.24Å; E490-L493 PolarHBondContact O-N 3.4Å; A491-L493 VanDerWaalsContact C-N 3.35Å
494R57.9Low68.8Low206 Ų20662.2 Ų62.278%0.77731%0.307SS*.  trans-76.6126.2171.3-61.9177.4179.1179.6-2.4107.5K492 S496K492-R494 PolarHBondContact O-N 2.76Å; R494-S496 PolarHBondContact O-N 3.34Å; R494-S496 PolarHBondContact O-OG 3.42Å
495G70.9Confident71.1Confident16 Ų1652.7 Ų52.717%0.16527%0.265CS..SBendtrans36.765.2171.200000113.6T195T195-G495 VanDerWaalsContact CG2-O 3.25Å; T195-G495 WeakPolarHBondContact CG2-O 3Å
496S87.2Confident73.5Confident2 Ų247 Ų471%0.01424%0.235CC..  trans-104.5147.1-177.6-63.50000110.9R273 A456 R494R273-S496 WeakPolarHBondContact O-CA 3.3Å; R273-S496 WeakPolarHBondContact O-CB 3.31Å; R273-S496 PolarHBondContact O-OG 3.09Å; A456-S496 PolarHBondContact O-N 3.23Å; R494-S496 PolarHBondContact O-N 3.34Å; R494-S496 PolarHBondContact O-OG 3.42Å
497C93.3Very high75.8Confident0 Ų043 Ų430%022%0.217CC..EExtended strand (participates in β ladder)trans-68.9143.1167.9-59.80000109.4T196 L268 P269 R273 G274 V275 W304T196-C497 CarbonylContact O-C 3.32Å; T196-C497 WeakPolarHBondContact O-CA 3.27Å; T196-C497 PolarHBondContact OG1-SG 3.27Å; L268-C497 HydrophobicContact CD2-CB 3.69Å; P269-C497 VanDerWaalsContact CD-SG 3.59Å; R273-C497 PolarHBondContact O-N 3.24Å; G274-C497 CarbonylContact C-O 3.52Å; G274-C497 VanDerWaalsContact CA-O 3.28Å; G274-C497 WeakPolarHBondContact CA-O 3.34Å; V275-C497 PolarHBondContact N-O 3.01Å; W304-C497 HydrophobicContact CH2-CB 4.24Å
498V95.5Very high78.2Confident0 Ų041.3 Ų41.30%020%0.202CC..EExtended strand (participates in β ladder)trans-117.6129-176.2176.30000110T196 L197 L198 V275 L277 A456 L457 V500T196-V498 PolarHBondContact O-N 3.43Å; L197-V498 CarbonylContact C-O 3.52Å; L197-V498 WeakPolarHBondContact CA-O 3.38Å; L197-V498 HydrophobicContact CD1-CB 4.05Å; L197-V498 HydrophobicContact CD1-CG1 3.92Å; L198-V498 PolarHBondContact N-O 3.09Å; V275-V498 HydrophobicContact CB-CG2 4.35Å; V275-V498 CarbonylContact O-C 3.19Å; V275-V498 WeakPolarHBondContact O-CA 3.33Å; L277-V498 HydrophobicContact CB-CG1 4.42Å; A456-V498 HydrophobicContact CB-CG2 3.73Å; L457-V498 HydrophobicContact CD2-CB 3.99Å; L457-V498 HydrophobicContact CD2-CG2 3.78Å; L457-V498 HydrophobicContact CG-CB 4.13Å; L457-V498 HydrophobicContact CG-CG2 3.67Å; V498-V500 HydrophobicContact CG1-CG2 4.2Å
499I97.2Very high80.8Confident2 Ų234.9 Ų34.91%0.0117%0.168CC..EExtended strand (participates in β ladder)trans-108.6119.1167-68.6174.2000107.6L198 T200 L264 V275 I276 L277 W304L198-I499 HydrophobicContact CB-CG1 4.12Å; L198-I499 HydrophobicContact CD1-CG1 4.2Å; L198-I499 CarbonylContact O-C 3.55Å; L198-I499 WeakPolarHBondContact O-CA 3.39Å; T200-I499 HydrophobicContact CG2-CG2 3.4Å; T200-I499 VanDerWaalsContact CG2-CG2 3.4Å; L264-I499 HydrophobicContact CD1-CD1 4.28Å; L264-I499 HydrophobicContact CD2-CD1 3.44Å; L264-I499 VanDerWaalsContact CD2-CD1 3.44Å; V275-I499 PolarHBondContact O-N 3.45Å; I276-I499 CarbonylContact C-O 3.55Å; I276-I499 WeakPolarHBondContact CA-O 3.21Å; L277-I499 PolarHBondContact N-O 3.08Å; W304-I499 HydrophobicContact CD2-CD1 4.41Å; W304-I499 HydrophobicContact CE3-CD1 3.87Å; W304-I499 HydrophobicContact CE3-CG1 4.32Å; W304-I499 HydrophobicContact CH2-CD1 3.28Å; W304-I499 HydrophobicContact CH2-CG1 3.62Å; W304-I499 HydrophobicContact CZ2-CD1 3.84Å; W304-I499 HydrophobicContact CZ3-CB 4.14Å; W304-I499 HydrophobicContact CZ3-CD1 3.31Å; W304-I499 HydrophobicContact CZ3-CG1 3.45Å; W304-I499 VanDerWaalsContact CZ3-CG1 3.45Å
500V97.8Very high83.3Confident0 Ų031.9 Ų31.90%015%0.154CC..EExtended strand (participates in β ladder)trans-89.5117.9171.8-173.40000108.9L197 L198 I199 T200 L277 L279 V498 A509 V512 A513 I516L197-V500 HydrophobicContact CD1-CG2 3.79Å; L198-V500 PolarHBondContact O-N 3Å; I199-V500 WeakPolarHBondContact CA-O 3.4Å; I199-V500 HydrophobicContact CG2-CB 4.23Å; T200-V500 PolarHBondContact N-O 3.03Å; T200-V500 VanDerWaalsContact N-O 3.09Å; L277-V500 HydrophobicContact CD2-CG2 4.32Å; L279-V500 HydrophobicContact CD1-CG1 3.49Å; L279-V500 VanDerWaalsContact CD1-CG1 3.49Å; L279-V500 HydrophobicContact CG-CG1 4.08Å; V498-V500 HydrophobicContact CG1-CG2 4.2Å; V500-A509 HydrophobicContact CG1-CB 4.11Å; V500-V512 HydrophobicContact CG1-CB 4.1Å; V500-V512 HydrophobicContact CG1-CG1 4.12Å; V500-V512 HydrophobicContact CG2-CG1 4.42Å; V500-A513 HydrophobicContact CG2-CB 4.33Å; V500-I516 HydrophobicContact CG2-CD1 3.96Å
501Q95.6Very high85.8Confident0 Ų030.4 Ų30.40%015%0.147CC..EExtended strand (participates in β ladder)trans-116.3134.1-175.6-174.8166.6-61.900111.7T200 I276 L277 L279 E296T200-Q501 HydrophobicContact CG2-CB 4.14Å; T200-Q501 HydrophobicContact CG2-CG 4.06Å; I276-Q501 HydrophobicContact CG2-CB 4.09Å; L277-Q501 PolarHBondContact O-N 2.86Å; L279-Q501 WeakPolarHBondContact CB-O 3.48Å; L279-Q501 PolarHBondContact N-O 2.95Å; E296-Q501 VanDerWaalsContact CD-NE2 3.27Å; E296-Q501 VanDerWaalsContact OE1-CD 3.26Å; E296-Q501 PolarHBondContact OE1-NE2 3.34Å; E296-Q501 VanDerWaalsContact OE1-NE2 3.07Å; E296-Q501 PolarHBondContact OE1-OE1 3.46Å; E296-Q501 PolarHBondContact OE2-NE2 2.86Å
502S94Very high88.3Confident3 Ų326.5 Ų26.52%0.02112%0.115CC..EExtended strand (participates in β ladder)trans-136.2171.4168.280.40000109.8A201 E202 K504 G505 T506A201-S502 WeakPolarHBondContact CA-O 3.47Å; E202-S502 PolarHBondContact N-O 3.35Å; S502-K504 VanDerWaalsContact C-N 3.33Å; S502-K504 PolarHBondContact O-N 2.89Å; S502-G505 PolarHBondContact O-N 2.74Å; S502-G505 WeakPolarHBondContact OG-CA 3.49Å; S502-G505 PolarHBondContact OG-N 3.36Å; S502-T506 PolarHBondContact OG-O 2.63Å
503R92.1Very high90.6Very high61 Ų6121 Ų2123%0.239%0.091CC..SBendtrans-48.3-51.7-179.3-175.9171.9-179-95.1-1.4113.1E202E202-R503 WeakPolarHBondContact CG-O 3.48Å; E202-R503 PolarHBondContact N-O 3.14Å
504K92.5Very high92.8Very high84 Ų8419.9 Ų19.937%0.3659%0.085SC..SBendtrans-100.3-2.8179.6-68-172.4174.4-176.30113.4R182 A201 S502 T506R182-K504 WeakPolarHBondContact CD-O 3.13Å; R182-K504 PolarHBondContact NE-O 3.47Å; R182-K504 VanDerWaalsContact NE-O 3.09Å; A201-K504 VanDerWaalsContact CB-C 3.45Å; S502-K504 VanDerWaalsContact C-N 3.33Å; S502-K504 PolarHBondContact O-N 2.89Å; K504-T506 PolarHBondContact O-N 3.29Å; K504-T506 VanDerWaalsContact O-N 3.08Å
505G93.1Very high94.7Very high0 Ų010.1 Ų10.10%05%0.048CC..SBendtrans63.59.7-172.100000114.9R182 T200 S502R182-G505 PolarHBondContact NE-O 2.82Å; R182-G505 PolarHBondContact NH2-O 3.1Å; T200-G505 WeakPolarHBondContact O-CA 3.48Å; S502-G505 PolarHBondContact O-N 2.74Å; S502-G505 WeakPolarHBondContact OG-CA 3.49Å; S502-G505 PolarHBondContact OG-N 3.36Å
506T95.5Very high96Very high12 Ų129.3 Ų9.37%0.0744%0.041CC..SBendtrans-108.6-168.6173.458.70000109.8S502 K504 R508 A509S502-T506 PolarHBondContact OG-O 2.63Å; K504-T506 PolarHBondContact O-N 3.29Å; K504-T506 VanDerWaalsContact O-N 3.08Å; T506-R508 PolarHBondContact O-N 2.87Å; T506-A509 PolarHBondContact O-N 2.87Å
507D97.3Very high96.5Very high8 Ų89.8 Ų9.84%0.0434%0.042CC..THydrogen-bonded Turntrans52.5-104.7167.8-59.6-68000112.3T314 A509 I510 L511 H543 R548 V565T314-D507 HydrophobicContact CG2-CB 4.12Å; D507-A509 PolarHBondContact O-N 3.36Å; D507-I510 PolarHBondContact O-N 2.98Å; D507-I510 VanDerWaalsContact O-N 3.14Å; D507-L511 WeakPolarHBondContact O-CB 3.19Å; D507-L511 PolarHBondContact O-N 3.25Å; D507-H543 IonicContact OD1-CE1 3.74Å; D507-H543 PolarHBondContact OD1-CE1 3.27Å; D507-H543 VanDerWaalsContact OD1-CE1 3.32Å; D507-H543 IonicContact OD1-ND1 3.56Å; D507-R548 IonicContact OD1-CZ 2.87Å; D507-R548 IonicContact OD1-NE 3.66Å; D507-R548 PolarHBondContact OD1-NE 3.13Å; D507-R548 IonicContact OD1-NH2 3.64Å; D507-R548 IonicContact OD2-CZ 2.93Å; D507-R548 IonicContact OD2-NE 3.96Å; D507-R548 IonicContact OD2-NH2 3.69Å; D507-R548 PolarHBondContact OD2-NH2 2.94Å; D507-V565 HydrophobicContact CB-CG1 4.38Å; D507-V565 HydrophobicContact CB-CG2 4.19Å
508R97.6Very high96.7Very high21 Ų219.8 Ų9.88%0.0794%0.042CC..Hα-helixtrans-51.3-40.5177.5-69178.4-78.8-173.62.4113.2L279 E284 L311 E312 T506 V512L279-R508 HydrophobicContact CB-CB 4.43Å; L279-R508 HydrophobicContact CD1-CB 3.98Å; L279-R508 VanDerWaalsContact CD1-O 3.25Å; L279-R508 WeakPolarHBondContact CD1-O 3.35Å; L279-R508 PolarHBondContact O-NH1 2.8Å; E284-R508 IonicContact OE1-CZ 2.69Å; E284-R508 IonicContact OE1-NH1 2.87Å; E284-R508 IonicContact OE1-NH2 3.24Å; E284-R508 PolarHBondContact OE1-NH2 3.36Å; E284-R508 IonicContact OE2-CZ 2.84Å; E284-R508 IonicContact OE2-NH1 3.2Å; E284-R508 PolarHBondContact OE2-NH1 2.76Å; E284-R508 IonicContact OE2-NH2 3.77Å; E284-R508 PolarHBondContact OE2-NH2 3.17Å; L311-R508 HydrophobicContact CB-CG 4.08Å; L311-R508 HydrophobicContact CD1-CB 4.33Å; L311-R508 HydrophobicContact CD1-CG 4.4Å; L311-R508 PolarHBondContact O-NH1 3.17Å; E312-R508 WeakPolarHBondContact O-CD 3.05Å; T506-R508 PolarHBondContact O-N 2.87Å; R508-V512 WeakPolarHBondContact O-CG2 3.47Å; R508-V512 PolarHBondContact O-N 3Å
509A98.1Very high96.6Very high0 Ų09.8 Ų9.80%04%0.042CC..Hα-helixtrans-68.1-42.4-178.600000111.6I199 V500 T506 D507 A513I199-A509 HydrophobicContact CG2-CB 4.38Å; V500-A509 HydrophobicContact CG1-CB 4.11Å; T506-A509 PolarHBondContact O-N 2.87Å; D507-A509 PolarHBondContact O-N 3.36Å; A509-A513 WeakPolarHBondContact O-CB 3.38Å; A509-A513 PolarHBondContact O-N 2.79Å
510I98.6Very high96.4Very high0 Ų010.4 Ų10.40%05%0.046CC..Hα-helixtrans-66.4-47.3176.6-67.1175000110I199 D507 V512 A513 S514 T537 W538 A541 H543I199-I510 HydrophobicContact CD1-CG1 4.4Å; D507-I510 PolarHBondContact O-N 2.98Å; D507-I510 VanDerWaalsContact O-N 3.14Å; I510-V512 PolarHBondContact O-N 3.23Å; I510-A513 PolarHBondContact O-N 2.95Å; I510-S514 WeakPolarHBondContact O-CB 3.35Å; I510-S514 PolarHBondContact O-N 2.73Å; I510-S514 PolarHBondContact O-OG 3.17Å; I510-S514 VanDerWaalsContact O-OG 3.09Å; I510-T537 HydrophobicContact CG2-CG2 4.16Å; I510-T537 WeakPolarHBondContact CG2-O 3.26Å; I510-W538 HydrophobicContact CG2-CB 4.39Å; I510-W538 HydrophobicContact CG2-CD2 3.49Å; I510-W538 VanDerWaalsContact CG2-CD2 3.49Å; I510-W538 HydrophobicContact CG2-CE3 3.74Å; I510-W538 HydrophobicContact CG2-CG 3.82Å; I510-W538 HydrophobicContact CG2-CH2 4.32Å; I510-W538 HydrophobicContact CG2-CZ2 4.09Å; I510-W538 HydrophobicContact CG2-CZ3 4.15Å; I510-A541 HydrophobicContact CD1-CB 3.87Å; I510-A541 HydrophobicContact CG1-CB 4.11Å; I510-H543 HydrophobicContact CD1-CB 3.79Å
511L98.7Very high96.1Very high3 Ų311.2 Ų11.22%0.0165%0.05CC..Hα-helixtrans-49.6-56.1175166.566.6000111.9A446 D507 S514 L515 W538 V565 L568 F569A446-L511 HydrophobicContact CB-CD2 4.03Å; D507-L511 WeakPolarHBondContact O-CB 3.19Å; D507-L511 PolarHBondContact O-N 3.25Å; L511-S514 PolarHBondContact O-N 2.94Å; L511-L515 HydrophobicContact CD1-CD1 3.9Å; L511-L515 HydrophobicContact CD1-CG 4.4Å; L511-L515 HydrophobicContact CG-CD1 4.35Å; L511-L515 WeakPolarHBondContact O-CG 3.31Å; L511-L515 PolarHBondContact O-N 3.4Å; L511-W538 HydrophobicContact CB-CH2 4.33Å; L511-V565 HydrophobicContact CB-CG1 4.09Å; L511-V565 HydrophobicContact CD2-CG1 4.37Å; L511-L568 HydrophobicContact CD2-CD2 3.68Å; L511-L568 HydrophobicContact CD2-CG 4.14Å; L511-F569 HydrophobicContact CD1-CB 3.47Å; L511-F569 VanDerWaalsContact CD1-CB 3.47Å; L511-F569 HydrophobicContact CD1-CD2 4.32Å; L511-F569 HydrophobicContact CD1-CG 4.39Å
512V98.7Very high95.9Very high0 Ų012.7 Ų12.70%06%0.06CC..Hα-helixtrans-69.2-41.6-176.5171.80000111.2L277 L279 L311 A449 V500 R508 I510 S514 L515 I516L277-V512 HydrophobicContact CD2-CG1 3.73Å; L279-V512 HydrophobicContact CD1-CB 3.91Å; L279-V512 HydrophobicContact CD1-CG1 4.5Å; L279-V512 HydrophobicContact CD1-CG2 3.63Å; L279-V512 HydrophobicContact CD2-CG2 4.07Å; L311-V512 HydrophobicContact CD1-CG2 3.58Å; A449-V512 HydrophobicContact CB-CG1 4.28Å; A449-V512 HydrophobicContact CB-CG2 3.9Å; V500-V512 HydrophobicContact CG1-CB 4.1Å; V500-V512 HydrophobicContact CG1-CG1 4.12Å; V500-V512 HydrophobicContact CG2-CG1 4.42Å; R508-V512 WeakPolarHBondContact O-CG2 3.47Å; R508-V512 PolarHBondContact O-N 3Å; I510-V512 PolarHBondContact O-N 3.23Å; V512-S514 VanDerWaalsContact C-N 3.31Å; V512-S514 PolarHBondContact O-N 3.36Å; V512-L515 PolarHBondContact O-N 2.73Å; V512-I516 HydrophobicContact CG1-CD1 3.89Å; V512-I516 HydrophobicContact CG1-CG1 4.38Å; V512-I516 VanDerWaalsContact O-CG1 3.26Å; V512-I516 WeakPolarHBondContact O-CG1 3.36Å; V512-I516 PolarHBondContact O-N 2.89Å
513A98.6Very high95.7Very high0 Ų016.3 Ų16.30%08%0.076CC..Hα-helixtrans-63.2-36.1177.300000112.8L187 L197 I199 V500 A509 I510 Q517L187-A513 HydrophobicContact CD1-CB 3.72Å; L197-A513 HydrophobicContact CD2-CB 4.23Å; I199-A513 HydrophobicContact CG2-CB 3.72Å; V500-A513 HydrophobicContact CG2-CB 4.33Å; A509-A513 WeakPolarHBondContact O-CB 3.38Å; A509-A513 PolarHBondContact O-N 2.79Å; I510-A513 PolarHBondContact O-N 2.95Å; A513-Q517 WeakPolarHBondContact O-CG 3.3Å; A513-Q517 PolarHBondContact O-N 3.13Å; A513-Q517 PolarHBondContact O-NE2 3.21Å
514S98.7Very high95.8Very high0 Ų013.5 Ų13.50%07%0.066CC..Hα-helixtrans-67.8-43173.1-64.90000112.1I510 L511 V512 I516 Q517 I518 T537 W538 F569I510-S514 WeakPolarHBondContact O-CB 3.35Å; I510-S514 PolarHBondContact O-N 2.73Å; I510-S514 PolarHBondContact O-OG 3.17Å; I510-S514 VanDerWaalsContact O-OG 3.09Å; L511-S514 PolarHBondContact O-N 2.94Å; V512-S514 VanDerWaalsContact C-N 3.31Å; V512-S514 PolarHBondContact O-N 3.36Å; S514-I516 PolarHBondContact O-N 3.22Å; S514-Q517 WeakPolarHBondContact O-CB 3.34Å; S514-Q517 PolarHBondContact O-N 2.88Å; S514-I518 WeakPolarHBondContact O-CG1 3.44Å; S514-I518 PolarHBondContact O-N 3.36Å; S514-T537 WeakPolarHBondContact OG-CG2 3.48Å; S514-W538 PolarHBondContact OG-NE1 2.86Å; S514-F569 VanDerWaalsContact CB-CE2 3.5Å
515L98.7Very high95.9Very high0 Ų09.5 Ų9.50%05%0.049CC..Hα-helixtrans-65.2-37.8178.1-70.1173.9000112.4A446 L447 A450 L511 V512 Q517 I518 I519 F569 C572 V573A446-L515 HydrophobicContact CB-CD1 4.27Å; L447-L515 HydrophobicContact CD2-CD1 4.48Å; A450-L515 HydrophobicContact CB-CB 3.43Å; A450-L515 VanDerWaalsContact CB-CB 3.43Å; A450-L515 HydrophobicContact CB-CD1 4.28Å; L511-L515 HydrophobicContact CD1-CD1 3.9Å; L511-L515 HydrophobicContact CD1-CG 4.4Å; L511-L515 HydrophobicContact CG-CD1 4.35Å; L511-L515 WeakPolarHBondContact O-CG 3.31Å; L511-L515 PolarHBondContact O-N 3.4Å; V512-L515 PolarHBondContact O-N 2.73Å; L515-Q517 VanDerWaalsContact C-N 3.27Å; L515-Q517 PolarHBondContact O-N 2.81Å; L515-I518 PolarHBondContact O-N 3.41Å; L515-I519 VanDerWaalsContact O-CG1 3.25Å; L515-I519 WeakPolarHBondContact O-CG1 3.39Å; L515-I519 PolarHBondContact O-N 3.44Å; L515-F569 HydrophobicContact CD2-CD2 3.89Å; L515-F569 HydrophobicContact CD2-CE2 4.1Å; L515-F569 HydrophobicContact CG-CD2 4.11Å; L515-C572 HydrophobicContact CD1-CB 3.79Å; L515-C572 HydrophobicContact CD2-CB 3.49Å; L515-C572 VanDerWaalsContact CD2-CB 3.49Å; L515-C572 HydrophobicContact CG-CB 4.28Å; L515-V573 HydrophobicContact CD2-CG2 4.19Å
516I97.2Very high96Very high0 Ų010.9 Ų10.90%06%0.057CC..Hα-helixtrans-56.8-43.9172.4-69.9164.8000110.6L197 A450 A454 L457 V500 V512 S514 I519 L520L197-I516 HydrophobicContact CD1-CD1 3.94Å; L197-I516 HydrophobicContact CD1-CG2 4.49Å; L197-I516 HydrophobicContact CD2-CB 4.08Å; L197-I516 HydrophobicContact CD2-CG2 3.82Å; A450-I516 HydrophobicContact CB-CG1 4.25Å; A450-I516 WeakPolarHBondContact O-CG1 3.13Å; A454-I516 HydrophobicContact CB-CG2 4.26Å; L457-I516 HydrophobicContact CD1-CG2 3.44Å; L457-I516 VanDerWaalsContact CD1-CG2 3.44Å; V500-I516 HydrophobicContact CG2-CD1 3.96Å; V512-I516 HydrophobicContact CG1-CD1 3.89Å; V512-I516 HydrophobicContact CG1-CG1 4.38Å; V512-I516 VanDerWaalsContact O-CG1 3.26Å; V512-I516 WeakPolarHBondContact O-CG1 3.36Å; V512-I516 PolarHBondContact O-N 2.89Å; S514-I516 PolarHBondContact O-N 3.22Å; I516-I519 PolarHBondContact O-N 2.88Å; I516-L520 HydrophobicContact CG2-CD1 4.18Å; I516-L520 PolarHBondContact O-N 3.49Å
517Q97.1Very high95.9Very high11 Ų1110.7 Ų10.75%0.0516%0.056CC..Hα-helixtrans-65.4-43.7177-70.5174.977.900111.7Y188 L197 A513 S514 L515 I519 L520 N521 S524 L533 T537Y188-Q517 HydrophobicContact CD1-CG 4.24Å; Y188-Q517 HydrophobicContact CD2-CG 4.23Å; Y188-Q517 HydrophobicContact CG-CG 3.84Å; L197-Q517 HydrophobicContact CD2-CG 4Å; A513-Q517 WeakPolarHBondContact O-CG 3.3Å; A513-Q517 PolarHBondContact O-N 3.13Å; A513-Q517 PolarHBondContact O-NE2 3.21Å; S514-Q517 WeakPolarHBondContact O-CB 3.34Å; S514-Q517 PolarHBondContact O-N 2.88Å; L515-Q517 VanDerWaalsContact C-N 3.27Å; L515-Q517 PolarHBondContact O-N 2.81Å; Q517-I519 VanDerWaalsContact C-N 3.28Å; Q517-I519 PolarHBondContact O-N 3.09Å; Q517-L520 PolarHBondContact O-N 3.4Å; Q517-N521 WeakPolarHBondContact O-CA 3.02Å; Q517-N521 WeakPolarHBondContact O-CB 3.3Å; Q517-N521 PolarHBondContact O-N 3.08Å; Q517-S524 PolarHBondContact O-OG 3.16Å; Q517-L533 HydrophobicContact CB-CD1 3.87Å; Q517-L533 VanDerWaalsContact CD-CD1 3.46Å; Q517-L533 HydrophobicContact CG-CD1 4.3Å; Q517-T537 PolarHBondContact NE2-OG1 3.36Å; Q517-T537 VanDerWaalsContact NE2-OG1 3.12Å
518I97.4Very high95.7Very high0 Ų017 Ų170%09%0.085CC..Hα-helixtrans-59.8-39.6175-63.8-72.6000111.4S514 L515 S524 R525 F530 L533 F569 V573 L576 F584S514-I518 WeakPolarHBondContact O-CG1 3.44Å; S514-I518 PolarHBondContact O-N 3.36Å; L515-I518 PolarHBondContact O-N 3.41Å; I518-S524 WeakPolarHBondContact CA-OG 3.07Å; I518-S524 WeakPolarHBondContact CD1-O 3.42Å; I518-R525 VanDerWaalsContact O-CZ 3.27Å; I518-R525 PolarHBondContact O-NE 3.37Å; I518-R525 PolarHBondContact O-NH2 3.05Å; I518-F530 HydrophobicContact CD1-CD2 3.73Å; I518-F530 HydrophobicContact CD1-CE2 3.79Å; I518-L533 HydrophobicContact CD1-CD2 3.52Å; I518-L533 HydrophobicContact CG1-CD2 3.73Å; I518-F569 HydrophobicContact CG1-CE2 4.44Å; I518-V573 HydrophobicContact CG1-CG2 4.28Å; I518-L576 HydrophobicContact CG2-CD1 3.71Å; I518-F584 HydrophobicContact CG2-CE1 4.01Å; I518-F584 HydrophobicContact CG2-CZ 3.85Å
519I94.9Very high95.5Very high0 Ų016.7 Ų16.70%09%0.088CC..Hα-helixtrans-67.8-38.3179.1-69166.7000111.5A450 V451 A454 L515 I516 Q517 R525 L576 A664 C665 W666A450-I519 HydrophobicContact CB-CD1 3.8Å; V451-I519 HydrophobicContact CG2-CD1 4.31Å; A454-I519 HydrophobicContact CB-CB 4.26Å; A454-I519 HydrophobicContact CB-CD1 4.5Å; A454-I519 HydrophobicContact CB-CG2 3.79Å; L515-I519 VanDerWaalsContact O-CG1 3.25Å; L515-I519 WeakPolarHBondContact O-CG1 3.39Å; L515-I519 PolarHBondContact O-N 3.44Å; I516-I519 PolarHBondContact O-N 2.88Å; Q517-I519 VanDerWaalsContact C-N 3.28Å; Q517-I519 PolarHBondContact O-N 3.09Å; I519-R525 VanDerWaalsContact C-NH2 3.28Å; I519-R525 PolarHBondContact O-NH2 3.28Å; I519-L576 HydrophobicContact CG1-CD1 4.28Å; I519-A664 HydrophobicContact CG2-CB 4.42Å; I519-A664 CarbonylContact O-C 3.6Å; I519-A664 WeakPolarHBondContact O-CA 3.44Å; I519-A664 VanDerWaalsContact O-CB 3.29Å; I519-A664 WeakPolarHBondContact O-CB 3.27Å; I519-C665 PolarHBondContact O-N 3.26Å; I519-W666 HydrophobicContact CG2-CD2 4.27Å; I519-W666 HydrophobicContact CG2-CE3 3.89Å; I519-W666 HydrophobicContact CG2-CH2 4.47Å; I519-W666 HydrophobicContact CG2-CZ3 4.01Å
520L92.4Very high95.4Very high15 Ų1516.7 Ų16.78%0.0799%0.088CC..Hα-helixtrans-104-25-171.4-65.3-178.2000115.6A454 L457 D458 I516 Q517 P522 A664 W666A454-L520 HydrophobicContact CB-CD1 4.01Å; A454-L520 HydrophobicContact CB-CD2 4.05Å; A454-L520 HydrophobicContact CB-CG 3.85Å; L457-L520 HydrophobicContact CB-CD1 3.81Å; L457-L520 HydrophobicContact CD1-CD1 3.84Å; L457-L520 HydrophobicContact CG-CD1 4.5Å; D458-L520 HydrophobicContact CB-CD1 4.48Å; D458-L520 HydrophobicContact CB-CD2 3.87Å; I516-L520 HydrophobicContact CG2-CD1 4.18Å; I516-L520 PolarHBondContact O-N 3.49Å; Q517-L520 PolarHBondContact O-N 3.4Å; L520-P522 WeakPolarHBondContact O-CD 3.28Å; L520-A664 HydrophobicContact CD2-CB 3.87Å; L520-W666 HydrophobicContact CD2-CH2 4.06Å; L520-W666 HydrophobicContact CD2-CZ2 4.15Å
521N91.4Very high95.2Very high18 Ų1816.9 Ų16.910%0.0969%0.089CC..  trans-111.1104.6-170.6-17612000111.6Y188 Q517 E523 S524Y188-N521 HydrophobicContact CE2-CB 3.97Å; Q517-N521 WeakPolarHBondContact O-CA 3.02Å; Q517-N521 WeakPolarHBondContact O-CB 3.3Å; Q517-N521 PolarHBondContact O-N 3.08Å; N521-E523 PolarHBondContact O-N 3.09Å; N521-E523 WeakPolarHBondContact OD1-CB 3.16Å; N521-E523 PolarHBondContact OD1-N 3.44Å; N521-E523 VanDerWaalsContact OD1-N 3.11Å; N521-S524 WeakPolarHBondContact O-CB 3.48Å; N521-S524 PolarHBondContact O-N 3.08Å; N521-S524 VanDerWaalsContact O-N 3.09Å; N521-S524 PolarHBondContact O-OG 2.72Å
522P91.1Very high95Very high31 Ų3117.9 Ų17.920%0.20110%0.095CC..G310 helixtrans-56.1-33.6175.1-26.235.4000114L520 S524 R525L520-P522 WeakPolarHBondContact O-CD 3.28Å; P522-S524 PolarHBondContact O-N 2.83Å; P522-R525 WeakPolarHBondContact O-CB 3.37Å; P522-R525 PolarHBondContact O-N 2.81Å
523E90.3Very high94.8Very high78 Ų7818.2 Ų18.236%0.36410%0.097SC..G310 helixtrans-58.3-36.4178.6-65.3-174.2152.700111N130 N521 R525 T526 G529N130-E523 PolarHBondContact ND2-OE1 3.38Å; N521-E523 PolarHBondContact O-N 3.09Å; N521-E523 WeakPolarHBondContact OD1-CB 3.16Å; N521-E523 PolarHBondContact OD1-N 3.44Å; N521-E523 VanDerWaalsContact OD1-N 3.11Å; E523-R525 PolarHBondContact O-N 3.19Å; E523-R525 VanDerWaalsContact O-N 3.12Å; E523-T526 WeakPolarHBondContact O-CB 3.49Å; E523-T526 PolarHBondContact O-N 3.25Å; E523-T526 VanDerWaalsContact O-N 3.11Å; E523-T526 PolarHBondContact O-OG1 2.78Å; E523-G529 VanDerWaalsContact O-CA 3.29Å; E523-G529 WeakPolarHBondContact O-CA 3.25Å
524S94.5Very high94.8Very high3 Ų318.2 Ų18.22%0.02110%0.097CC..G310 helixtrans-69.2-8.2179.371.40000114.4Q517 I518 N521 P522 F530Q517-S524 PolarHBondContact O-OG 3.16Å; I518-S524 WeakPolarHBondContact CA-OG 3.07Å; I518-S524 WeakPolarHBondContact CD1-O 3.42Å; N521-S524 WeakPolarHBondContact O-CB 3.48Å; N521-S524 PolarHBondContact O-N 3.08Å; N521-S524 VanDerWaalsContact O-N 3.09Å; N521-S524 PolarHBondContact O-OG 2.72Å; P522-S524 PolarHBondContact O-N 2.83Å; S524-F530 WeakPolarHBondContact O-CD2 3.2Å
525R94.9Very high94.5Very high0 Ų019 Ų190%010%0.101CC..G310 helixtrans-99.80.2176.2-51.3179.1-167.3144.83.7113.1I518 I519 P522 E523 S583 F584 E585 F586 Y663 C665I518-R525 VanDerWaalsContact O-CZ 3.27Å; I518-R525 PolarHBondContact O-NE 3.37Å; I518-R525 PolarHBondContact O-NH2 3.05Å; I519-R525 VanDerWaalsContact C-NH2 3.28Å; I519-R525 PolarHBondContact O-NH2 3.28Å; P522-R525 WeakPolarHBondContact O-CB 3.37Å; P522-R525 PolarHBondContact O-N 2.81Å; E523-R525 PolarHBondContact O-N 3.19Å; E523-R525 VanDerWaalsContact O-N 3.12Å; R525-S583 VanDerWaalsContact CB-O 3.23Å; R525-S583 WeakPolarHBondContact CB-O 3.5Å; R525-S583 WeakPolarHBondContact CD-O 3.17Å; R525-F584 HydrophobicContact CB-CD1 3.72Å; R525-F584 HydrophobicContact CB-CE1 4.02Å; R525-F584 HydrophobicContact CB-CG 4.18Å; R525-F584 HydrophobicContact CG-CD1 4Å; R525-F584 HydrophobicContact CG-CE1 3.76Å; R525-F584 HydrophobicContact CG-CZ 4.11Å; R525-E585 PolarHBondContact O-N 3.39Å; R525-F586 WeakPolarHBondContact O-CD1 3.19Å; R525-F586 WeakPolarHBondContact O-CE1 3.33Å; R525-Y663 PolarHBondContact NH1-O 2.5Å; R525-Y663 VanDerWaalsContact NH1-O 3.07Å; R525-C665 PolarHBondContact NH1-SG 3.46Å; R525-C665 PolarHBondContact NH2-SG 3.01Å
526T94.1Very high94.1Very high29 Ų2920 Ų2018%0.17811%0.106CC..SBendtrans-81.3156.6168.767.70000110.4E523 Q528 G529 F530 E585E523-T526 WeakPolarHBondContact O-CB 3.49Å; E523-T526 PolarHBondContact O-N 3.25Å; E523-T526 VanDerWaalsContact O-N 3.11Å; E523-T526 PolarHBondContact O-OG1 2.78Å; T526-Q528 VanDerWaalsContact C-N 3.28Å; T526-Q528 PolarHBondContact O-N 3.49Å; T526-G529 PolarHBondContact O-N 3.32Å; T526-G529 WeakPolarHBondContact OG1-CA 3.49Å; T526-G529 PolarHBondContact OG1-N 2.82Å; T526-F530 VanDerWaalsContact O-CB 3.23Å; T526-F530 WeakPolarHBondContact O-CB 3.03Å; T526-F530 PolarHBondContact O-N 2.9Å; T526-E585 VanDerWaalsContact CA-OE2 3.24Å; T526-E585 WeakPolarHBondContact CA-OE2 3.49Å; T526-E585 WeakPolarHBondContact CB-OE2 3.38Å
527I94.6Very high94.1Very high8 Ų820.1 Ų20.14%0.04111%0.106CC..Hα-helixtrans-56.4-45.9175.8-69.6167.6000110Q531 E585 F586 I630 T636 L639 Q640I527-Q531 VanDerWaalsContact O-CG 3.3Å; I527-Q531 WeakPolarHBondContact O-CG 3.42Å; I527-Q531 PolarHBondContact O-N 3.05Å; I527-Q531 PolarHBondContact O-NE2 2.84Å; I527-E585 HydrophobicContact CD1-CG 4.4Å; I527-E585 HydrophobicContact CG1-CG 4.36Å; I527-E585 PolarHBondContact N-OE2 3.43Å; I527-F586 HydrophobicContact CG1-CB 3.8Å; I527-I630 HydrophobicContact CG2-CG2 4.06Å; I527-T636 HydrophobicContact CD1-CG2 3.87Å; I527-L639 HydrophobicContact CD1-CB 4.4Å; I527-Q640 HydrophobicContact CD1-CB 4.45Å
528Q92.3Very high94.1Very high141 Ų14119.6 Ų19.666%0.65910%0.104SC*.Hα-helixtrans-71.2-48.3-180-176.9178.5-7.700111.5T526 F530 Q531 T532T526-Q528 VanDerWaalsContact C-N 3.28Å; T526-Q528 PolarHBondContact O-N 3.49Å; Q528-F530 VanDerWaalsContact C-N 3.3Å; Q528-F530 PolarHBondContact O-N 3.35Å; Q528-Q531 WeakPolarHBondContact O-CB 3.31Å; Q528-Q531 PolarHBondContact O-N 2.85Å; Q528-Q531 VanDerWaalsContact O-N 3.14Å; Q528-T532 PolarHBondContact O-N 2.89Å; Q528-T532 PolarHBondContact O-OG1 3.1Å
529G93.4Very high94Very high13 Ų1320.1 Ų20.113%0.13411%0.107CC..Hα-helixtrans-68.8-27.1-177.200000113.5E523 T526 T532 L533E523-G529 VanDerWaalsContact O-CA 3.29Å; E523-G529 WeakPolarHBondContact O-CA 3.25Å; T526-G529 PolarHBondContact O-N 3.32Å; T526-G529 WeakPolarHBondContact OG1-CA 3.49Å; T526-G529 PolarHBondContact OG1-N 2.82Å; G529-T532 PolarHBondContact O-N 3.32Å; G529-L533 WeakPolarHBondContact O-CB 3.36Å; G529-L533 PolarHBondContact O-N 3.38Å
530F96.6Very high94Very high0 Ų020.8 Ų20.80%011%0.11CC..Hα-helixtrans-66.9-39.1170.6-166.5-111.3000112I518 S524 T526 Q528 L533 I534 F569 L570 V573 F586 L590 L591 I594I518-F530 HydrophobicContact CD1-CD2 3.73Å; I518-F530 HydrophobicContact CD1-CE2 3.79Å; S524-F530 WeakPolarHBondContact O-CD2 3.2Å; T526-F530 VanDerWaalsContact O-CB 3.23Å; T526-F530 WeakPolarHBondContact O-CB 3.03Å; T526-F530 PolarHBondContact O-N 2.9Å; Q528-F530 VanDerWaalsContact C-N 3.3Å; Q528-F530 PolarHBondContact O-N 3.35Å; F530-L533 HydrophobicContact CD2-CD2 4.38Å; F530-L533 WeakPolarHBondContact O-CB 3.44Å; F530-L533 PolarHBondContact O-N 2.82Å; F530-I534 HydrophobicContact CD1-CD1 3.92Å; F530-I534 HydrophobicContact CE1-CD1 3.68Å; F530-I534 HydrophobicContact CZ-CD1 4.27Å; F530-I534 WeakPolarHBondContact O-CG1 3.35Å; F530-I534 PolarHBondContact O-N 2.98Å; F530-I534 VanDerWaalsContact O-N 3.08Å; F530-F569 HydrophobicContact CE2-CE1 4.17Å; F530-F569 AromaticContact CE2-CZ 3.8Å; F530-F569 HydrophobicContact CE2-CZ 3.8Å; F530-F569 AromaticContact CZ-CE1 3.86Å; F530-F569 HydrophobicContact CZ-CE1 3.86Å; F530-F569 AromaticContact CZ-CZ 3.98Å; F530-F569 HydrophobicContact CZ-CZ 3.98Å; F530-L570 HydrophobicContact CE1-CD2 4.27Å; F530-L570 HydrophobicContact CZ-CD2 3.97Å; F530-V573 HydrophobicContact CE2-CG1 4.05Å; F530-V573 HydrophobicContact CE2-CG2 4.13Å; F530-V573 HydrophobicContact CZ-CG1 4.27Å; F530-V573 HydrophobicContact CZ-CG2 4.4Å; F530-F586 HydrophobicContact CB-CD1 4.39Å; F530-F586 HydrophobicContact CB-CE1 3.68Å; F530-F586 HydrophobicContact CB-CZ 4.29Å; F530-F586 HydrophobicContact CD1-CE1 4.36Å; F530-F586 HydrophobicContact CD1-CZ 4.25Å; F530-F586 HydrophobicContact CD2-CE1 4.05Å; F530-F586 AromaticContact CD2-CZ 3.83Å; F530-F586 HydrophobicContact CD2-CZ 3.83Å; F530-F586 HydrophobicContact CE2-CZ 4.18Å; F530-F586 AromaticContact CG-CE1 3.79Å; F530-F586 HydrophobicContact CG-CE1 3.79Å; F530-F586 AromaticContact CG-CZ 3.87Å; F530-F586 HydrophobicContact CG-CZ 3.87Å; F530-L590 HydrophobicContact CD1-CD2 4.03Å; F530-L591 HydrophobicContact CE1-CD2 3.68Å; F530-L591 HydrophobicContact CZ-CD2 3.62Å; F530-I594 HydrophobicContact CD1-CD1 3.76Å; F530-I594 HydrophobicContact CE1-CD1 3.59Å
531Q94.9Very high94.1Very high4 Ų420.1 Ų20.12%0.01911%0.107CC..Hα-helixtrans-63.7-46.5172.3-64.1168.752.900110.8I527 Q528 L533 I534 D535 W627I527-Q531 VanDerWaalsContact O-CG 3.3Å; I527-Q531 WeakPolarHBondContact O-CG 3.42Å; I527-Q531 PolarHBondContact O-N 3.05Å; I527-Q531 PolarHBondContact O-NE2 2.84Å; Q528-Q531 WeakPolarHBondContact O-CB 3.31Å; Q528-Q531 PolarHBondContact O-N 2.85Å; Q528-Q531 VanDerWaalsContact O-N 3.14Å; Q531-L533 VanDerWaalsContact C-N 3.3Å; Q531-L533 PolarHBondContact O-N 3.48Å; Q531-I534 PolarHBondContact O-N 2.89Å; Q531-I534 VanDerWaalsContact O-N 3.13Å; Q531-D535 PolarHBondContact O-N 2.88Å; Q531-W627 HydrophobicContact CB-CD2 4.08Å; Q531-W627 HydrophobicContact CB-CE3 4.19Å; Q531-W627 HydrophobicContact CB-CZ3 4.47Å; Q531-W627 HydrophobicContact CG-CD2 3.99Å; Q531-W627 HydrophobicContact CG-CE3 3.61Å; Q531-W627 HydrophobicContact CG-CH2 4.44Å; Q531-W627 HydrophobicContact CG-CZ3 3.86Å; Q531-W627 VanDerWaalsContact OE1-CB 3.27Å
532T92.9Very high94.3Very high25 Ų2519.4 Ų19.415%0.15310%0.103CC..Hα-helixtrans-59.4-40.4175.7-56.10000111.9P129 Q528 G529 I534 D535 Q536P129-T532 HydrophobicContact CG-CG2 4.04Å; Q528-T532 PolarHBondContact O-N 2.89Å; Q528-T532 PolarHBondContact O-OG1 3.1Å; G529-T532 PolarHBondContact O-N 3.32Å; T532-I534 VanDerWaalsContact C-N 3.35Å; T532-I534 PolarHBondContact O-N 3.34Å; T532-D535 PolarHBondContact O-N 3.19Å; T532-Q536 HydrophobicContact CG2-CG 3.99Å; T532-Q536 VanDerWaalsContact O-CB 3.27Å; T532-Q536 WeakPolarHBondContact O-CB 3.32Å; T532-Q536 WeakPolarHBondContact O-CG 3.19Å; T532-Q536 PolarHBondContact O-N 3.13Å
533L95.8Very high94.6Very high6 Ų618 Ų183%0.03110%0.095CC..Hα-helixtrans-59.8-45.217517771000111.2Q517 I518 G529 F530 Q531 T537 F569Q517-L533 HydrophobicContact CB-CD1 3.87Å; Q517-L533 VanDerWaalsContact CD-CD1 3.46Å; Q517-L533 HydrophobicContact CG-CD1 4.3Å; I518-L533 HydrophobicContact CD1-CD2 3.52Å; I518-L533 HydrophobicContact CG1-CD2 3.73Å; G529-L533 WeakPolarHBondContact O-CB 3.36Å; G529-L533 PolarHBondContact O-N 3.38Å; F530-L533 HydrophobicContact CD2-CD2 4.38Å; F530-L533 WeakPolarHBondContact O-CB 3.44Å; F530-L533 PolarHBondContact O-N 2.82Å; Q531-L533 VanDerWaalsContact C-N 3.3Å; Q531-L533 PolarHBondContact O-N 3.48Å; L533-T537 WeakPolarHBondContact O-CA 3.35Å; L533-T537 WeakPolarHBondContact O-CB 3.38Å; L533-T537 PolarHBondContact O-N 2.83Å; L533-T537 PolarHBondContact O-OG1 3.38Å; L533-F569 HydrophobicContact CD2-CZ 4.17Å
534I96.8Very high95Very high0 Ų015 Ų150%08%0.082CC..Iπ-helixtrans-64.2-48.4178-67.6167.7000110.5F530 Q531 T532 W538 L539 F566 I594 F606 W627F530-I534 HydrophobicContact CD1-CD1 3.92Å; F530-I534 HydrophobicContact CE1-CD1 3.68Å; F530-I534 HydrophobicContact CZ-CD1 4.27Å; F530-I534 WeakPolarHBondContact O-CG1 3.35Å; F530-I534 PolarHBondContact O-N 2.98Å; F530-I534 VanDerWaalsContact O-N 3.08Å; Q531-I534 PolarHBondContact O-N 2.89Å; Q531-I534 VanDerWaalsContact O-N 3.13Å; T532-I534 VanDerWaalsContact C-N 3.35Å; T532-I534 PolarHBondContact O-N 3.34Å; I534-W538 HydrophobicContact CG2-CB 4.33Å; I534-W538 VanDerWaalsContact O-CA 3.31Å; I534-W538 WeakPolarHBondContact O-CA 3.37Å; I534-W538 WeakPolarHBondContact O-CB 3.41Å; I534-W538 PolarHBondContact O-N 3.05Å; I534-L539 PolarHBondContact O-N 2.97Å; I534-F566 HydrophobicContact CD1-CZ 4.19Å; I534-F566 HydrophobicContact CG1-CE2 4.49Å; I534-F566 HydrophobicContact CG1-CZ 4.48Å; I534-F566 HydrophobicContact CG2-CZ 4.43Å; I534-I594 HydrophobicContact CD1-CD1 3.86Å; I534-I594 HydrophobicContact CD1-CG2 4.08Å; I534-F606 HydrophobicContact CG2-CE1 3.81Å; I534-F606 HydrophobicContact CG2-CZ 4.17Å; I534-W627 HydrophobicContact CB-CH2 4.38Å; I534-W627 HydrophobicContact CB-CZ2 4.2Å; I534-W627 HydrophobicContact CD1-CH2 4.1Å; I534-W627 HydrophobicContact CG2-CH2 4.15Å; I534-W627 HydrophobicContact CG2-CZ2 3.89Å
535D93.5Very high95.2Very high18 Ų1815 Ų1510%0.0968%0.081CC..Iπ-helixtrans-61.1-50.8178.8-81-6.7000112Q531 T532 L539 N540 W627Q531-D535 PolarHBondContact O-N 2.88Å; T532-D535 PolarHBondContact O-N 3.19Å; D535-L539 WeakPolarHBondContact O-CB 3.27Å; D535-L539 PolarHBondContact O-N 3.14Å; D535-L539 WeakPolarHBondContact OD1-CD1 3.3Å; D535-N540 VanDerWaalsContact O-CG 3.28Å; D535-N540 PolarHBondContact O-N 3.41Å; D535-N540 PolarHBondContact O-OD1 2.91Å; D535-W627 PolarHBondContact OD1-NE1 3.08Å; D535-W627 VanDerWaalsContact OD2-CD1 3.26Å; D535-W627 PolarHBondContact OD2-NE1 3.48Å
536Q91.4Very high95.2Very high21 Ų2115.7 Ų15.710%0.0989%0.086CC..Iπ-helixtrans-77.4-34.9-173.2-66-65.8-20.400113.2P129 T532 N540P129-Q536 HydrophobicContact CG-CG 4.07Å; T532-Q536 HydrophobicContact CG2-CG 3.99Å; T532-Q536 VanDerWaalsContact O-CB 3.27Å; T532-Q536 WeakPolarHBondContact O-CB 3.32Å; T532-Q536 WeakPolarHBondContact O-CG 3.19Å; T532-Q536 PolarHBondContact O-N 3.13Å; Q536-N540 VanDerWaalsContact CD-ND2 3.27Å; Q536-N540 PolarHBondContact NE2-ND2 2.86Å; Q536-N540 WeakPolarHBondContact O-CB 3.39Å; Q536-N540 PolarHBondContact OE1-ND2 3.38Å
537T95.4Very high95.3Very high2 Ų216.1 Ų16.11%0.0129%0.087CC..Iπ-helixtrans-98.8-35-176.6-56.20000113L187 I510 S514 Q517 L533 A541L187-T537 HydrophobicContact CD1-CG2 3.89Å; I510-T537 HydrophobicContact CG2-CG2 4.16Å; I510-T537 WeakPolarHBondContact CG2-O 3.26Å; S514-T537 WeakPolarHBondContact OG-CG2 3.48Å; Q517-T537 PolarHBondContact NE2-OG1 3.36Å; Q517-T537 VanDerWaalsContact NE2-OG1 3.12Å; L533-T537 WeakPolarHBondContact O-CA 3.35Å; L533-T537 WeakPolarHBondContact O-CB 3.38Å; L533-T537 PolarHBondContact O-N 2.83Å; L533-T537 PolarHBondContact O-OG1 3.38Å; T537-A541 WeakPolarHBondContact O-CB 3.5Å
538W97.8Very high95.4Very high0 Ų016.2 Ų16.20%09%0.087CC..Iπ-helixtrans-93.1-49.9-179.4-6975000112.4I510 L511 S514 I534 H543 F545 V565 F566 F569I510-W538 HydrophobicContact CG2-CB 4.39Å; I510-W538 HydrophobicContact CG2-CD2 3.49Å; I510-W538 VanDerWaalsContact CG2-CD2 3.49Å; I510-W538 HydrophobicContact CG2-CE3 3.74Å; I510-W538 HydrophobicContact CG2-CG 3.82Å; I510-W538 HydrophobicContact CG2-CH2 4.32Å; I510-W538 HydrophobicContact CG2-CZ2 4.09Å; I510-W538 HydrophobicContact CG2-CZ3 4.15Å; L511-W538 HydrophobicContact CB-CH2 4.33Å; S514-W538 PolarHBondContact OG-NE1 2.86Å; I534-W538 HydrophobicContact CG2-CB 4.33Å; I534-W538 VanDerWaalsContact O-CA 3.31Å; I534-W538 WeakPolarHBondContact O-CA 3.37Å; I534-W538 WeakPolarHBondContact O-CB 3.41Å; I534-W538 PolarHBondContact O-N 3.05Å; W538-H543 HydrophobicContact CB-CB 4.5Å; W538-H543 HydrophobicContact CE3-CB 3.9Å; W538-H543 AromaticContact CE3-CD2 3.75Å; W538-H543 AromaticContact CE3-CG 3.53Å; W538-H543 AromaticContact CE3-ND1 3.85Å; W538-H543 AromaticContact CZ3-CD2 3.95Å; W538-H543 AromaticContact CZ3-CE1 3.74Å; W538-H543 AromaticContact CZ3-CG 3.83Å; W538-H543 AromaticContact CZ3-ND1 3.67Å; W538-H543 AromaticContact CZ3-NE2 3.9Å; W538-H543 WeakPolarHBondContact O-CB 3.45Å; W538-H543 PolarHBondContact O-N 2.87Å; W538-F545 HydrophobicContact CB-CE2 3.91Å; W538-F545 HydrophobicContact CB-CZ 3.99Å; W538-F545 HydrophobicContact CD2-CZ 4.42Å; W538-F545 HydrophobicContact CE3-CE2 4.4Å; W538-F545 AromaticContact CE3-CZ 3.94Å; W538-F545 HydrophobicContact CE3-CZ 3.94Å; W538-F545 HydrophobicContact CG-CZ 4.48Å; W538-V565 HydrophobicContact CH2-CG1 4.19Å; W538-V565 HydrophobicContact CZ3-CG1 4.4Å; W538-F566 AromaticContact CD2-CD2 3.64Å; W538-F566 HydrophobicContact CD2-CD2 3.64Å; W538-F566 AromaticContact CD2-CE2 3.81Å; W538-F566 HydrophobicContact CD2-CE2 3.81Å; W538-F566 AromaticContact CE2-CD2 3.84Å; W538-F566 AromaticContact CE2-CE2 3.99Å; W538-F566 AromaticContact CE3-CD2 3.47Å; W538-F566 HydrophobicContact CE3-CD2 3.47Å; W538-F566 VanDerWaalsContact CE3-CD2 3.47Å; W538-F566 HydrophobicContact CE3-CE2 4.08Å; W538-F566 HydrophobicContact CE3-CG 4.41Å; W538-F566 HydrophobicContact CG-CD2 4.44Å; W538-F566 HydrophobicContact CG-CE2 4.16Å; W538-F566 HydrophobicContact CH2-CB 4.38Å; W538-F566 AromaticContact CH2-CD2 3.79Å; W538-F566 HydrophobicContact CH2-CD2 3.79Å; W538-F566 AromaticContact CZ2-CD2 3.94Å; W538-F566 HydrophobicContact CZ2-CD2 3.94Å; W538-F566 HydrophobicContact CZ2-CE2 4.46Å; W538-F566 HydrophobicContact CZ3-CB 3.99Å; W538-F566 AromaticContact CZ3-CD2 3.55Å; W538-F566 HydrophobicContact CZ3-CD2 3.55Å; W538-F566 HydrophobicContact CZ3-CG 4.25Å; W538-F569 AromaticContact CE2-CD1 3.9Å; W538-F569 HydrophobicContact CH2-CB 3.73Å; W538-F569 HydrophobicContact CH2-CD1 4.5Å; W538-F569 HydrophobicContact CH2-CG 4.18Å; W538-F569 HydrophobicContact CZ2-CB 3.41Å; W538-F569 VanDerWaalsContact CZ2-CB 3.41Å; W538-F569 AromaticContact CZ2-CD1 3.65Å; W538-F569 HydrophobicContact CZ2-CD1 3.65Å; W538-F569 AromaticContact CZ2-CD2 3.9Å; W538-F569 HydrophobicContact CZ2-CD2 3.9Å; W538-F569 HydrophobicContact CZ2-CE1 4.39Å; W538-F569 AromaticContact CZ2-CG 3.36Å; W538-F569 HydrophobicContact CZ2-CG 3.36Å; W538-F569 AromaticContact NE1-CD1 3.96Å; W538-F569 AromaticContact NE1-CE1 3.83Å
539L95.5Very high95.6Very high11 Ų119.7 Ų9.76%0.0586%0.057CC..Iπ-helixtrans-76-52.5-176.9-50.7-170.4000111.3I534 D535 A541 G542 F545 T605 F606 R614I534-L539 PolarHBondContact O-N 2.97Å; D535-L539 WeakPolarHBondContact O-CB 3.27Å; D535-L539 PolarHBondContact O-N 3.14Å; D535-L539 WeakPolarHBondContact OD1-CD1 3.3Å; L539-A541 PolarHBondContact O-N 3.46Å; L539-G542 PolarHBondContact O-N 2.6Å; L539-F545 HydrophobicContact CD2-CD2 3.79Å; L539-F545 HydrophobicContact CD2-CE2 3.45Å; L539-F545 VanDerWaalsContact CD2-CE2 3.45Å; L539-F545 HydrophobicContact CD2-CZ 4.27Å; L539-T605 HydrophobicContact CD1-CG2 4.24Å; L539-F606 HydrophobicContact CD2-CD1 4.3Å; L539-R614 VanDerWaalsContact CD2-NH2 3.35Å
540N93.8Very high95.6Very high14 Ų1413.1 Ų13.18%0.0757%0.066CC..THydrogen-bonded Turntrans-69.4-36.6-175-66.4-6.5000112.3P157 D535 Q536 G542 L611P157-N540 VanDerWaalsContact CD-O 3.3Å; P157-N540 WeakPolarHBondContact CD-O 3.48Å; D535-N540 VanDerWaalsContact O-CG 3.28Å; D535-N540 PolarHBondContact O-N 3.41Å; D535-N540 PolarHBondContact O-OD1 2.91Å; Q536-N540 VanDerWaalsContact CD-ND2 3.27Å; Q536-N540 PolarHBondContact NE2-ND2 2.86Å; Q536-N540 WeakPolarHBondContact O-CB 3.39Å; Q536-N540 PolarHBondContact OE1-ND2 3.38Å; N540-G542 PolarHBondContact O-N 2.75Å; N540-L611 HydrophobicContact CB-CD1 4.09Å
541A95.3Very high95.4Very high0 Ų014.4 Ų14.40%07%0.073CC..THydrogen-bonded Turntrans-71.2-3.9172.700000113.5S155 R182 L185 L187 I199 I510 T537 L539S155-A541 CarbonylContact O-C 3.48Å; R182-A541 VanDerWaalsContact CZ-O 3.23Å; R182-A541 PolarHBondContact NH1-O 3.19Å; R182-A541 PolarHBondContact NH2-O 3.33Å; L185-A541 HydrophobicContact CD2-CB 4.49Å; L187-A541 HydrophobicContact CD2-CB 4.46Å; I199-A541 HydrophobicContact CD1-CB 3.62Å; I510-A541 HydrophobicContact CD1-CB 3.87Å; I510-A541 HydrophobicContact CG1-CB 4.11Å; T537-A541 WeakPolarHBondContact O-CB 3.5Å; L539-A541 PolarHBondContact O-N 3.46Å
542G95.9Very high95.4Very high3 Ų314.2 Ų14.23%0.0317%0.072CC..THydrogen-bonded Turntrans77.545.8174.200000114.5S155 L539 N540S155-G542 VanDerWaalsContact O-CA 3.24Å; S155-G542 WeakPolarHBondContact O-CA 3.33Å; S155-G542 PolarHBondContact O-N 3.05Å; L539-G542 PolarHBondContact O-N 2.6Å; N540-G542 PolarHBondContact O-N 2.75Å
543H98.2Very high95.5Very high3 Ų313.4 Ų13.41%0.0147%0.068CC..  trans-65.5126.6164.9-174.773.4000109.9D507 I510 W538 F545D507-H543 IonicContact OD1-CE1 3.74Å; D507-H543 PolarHBondContact OD1-CE1 3.27Å; D507-H543 VanDerWaalsContact OD1-CE1 3.32Å; D507-H543 IonicContact OD1-ND1 3.56Å; I510-H543 HydrophobicContact CD1-CB 3.79Å; W538-H543 HydrophobicContact CB-CB 4.5Å; W538-H543 HydrophobicContact CE3-CB 3.9Å; W538-H543 AromaticContact CE3-CD2 3.75Å; W538-H543 AromaticContact CE3-CG 3.53Å; W538-H543 AromaticContact CE3-ND1 3.85Å; W538-H543 AromaticContact CZ3-CD2 3.95Å; W538-H543 AromaticContact CZ3-CE1 3.74Å; W538-H543 AromaticContact CZ3-CG 3.83Å; W538-H543 AromaticContact CZ3-ND1 3.67Å; W538-H543 AromaticContact CZ3-NE2 3.9Å; W538-H543 WeakPolarHBondContact O-CB 3.45Å; W538-H543 PolarHBondContact O-N 2.87Å; H543-F545 VanDerWaalsContact C-N 3.31Å; H543-F545 HydrophobicContact CB-CD2 4.18Å; H543-F545 HydrophobicContact CB-CE2 3.87Å; H543-F545 AromaticContact CD2-CD2 3.64Å; H543-F545 AromaticContact CD2-CE1 4Å; H543-F545 AromaticContact CD2-CE2 3.58Å; H543-F545 AromaticContact CD2-CG 3.85Å; H543-F545 AromaticContact CD2-CZ 3.78Å; H543-F545 WeakPolarHBondContact O-CD2 3.45Å; H543-F545 PolarHBondContact O-N 3.4Å
544P97.7Very high95.4Very high15 Ų1514.2 Ų14.210%0.0977%0.071CC..  trans-8172.3-174.131.9-34000112.4S546 D547 R548 N609P544-S546 VanDerWaalsContact C-N 3.34Å; P544-S546 PolarHBondContact O-N 2.86Å; P544-D547 HydrophobicContact CB-CB 4.35Å; P544-D547 PolarHBondContact O-N 3.4Å; P544-R548 HydrophobicContact CG-CG 4.14Å; P544-R548 WeakPolarHBondContact O-CG 3.29Å; P544-R548 PolarHBondContact O-N 3.4Å; P544-N609 VanDerWaalsContact CA-OD1 3.26Å; P544-N609 WeakPolarHBondContact CA-OD1 3.45Å; P544-N609 HydrophobicContact CB-CB 3.82Å; P544-N609 WeakPolarHBondContact CB-OD1 3.39Å; P544-N609 PolarHBondContact O-OD1 3.39Å
545F97.9Very high95.2Very high1 Ų114.6 Ų14.60%0.0047%0.074CC..Hα-helixtrans-57.3-41-175.9-83.1-84.2000113.7W538 L539 H543 D547 R548 C549 F566 F606 N609W538-F545 HydrophobicContact CB-CE2 3.91Å; W538-F545 HydrophobicContact CB-CZ 3.99Å; W538-F545 HydrophobicContact CD2-CZ 4.42Å; W538-F545 HydrophobicContact CE3-CE2 4.4Å; W538-F545 AromaticContact CE3-CZ 3.94Å; W538-F545 HydrophobicContact CE3-CZ 3.94Å; W538-F545 HydrophobicContact CG-CZ 4.48Å; L539-F545 HydrophobicContact CD2-CD2 3.79Å; L539-F545 HydrophobicContact CD2-CE2 3.45Å; L539-F545 VanDerWaalsContact CD2-CE2 3.45Å; L539-F545 HydrophobicContact CD2-CZ 4.27Å; H543-F545 VanDerWaalsContact C-N 3.31Å; H543-F545 HydrophobicContact CB-CD2 4.18Å; H543-F545 HydrophobicContact CB-CE2 3.87Å; H543-F545 AromaticContact CD2-CD2 3.64Å; H543-F545 AromaticContact CD2-CE1 4Å; H543-F545 AromaticContact CD2-CE2 3.58Å; H543-F545 AromaticContact CD2-CG 3.85Å; H543-F545 AromaticContact CD2-CZ 3.78Å; H543-F545 WeakPolarHBondContact O-CD2 3.45Å; H543-F545 PolarHBondContact O-N 3.4Å; F545-D547 VanDerWaalsContact C-N 3.27Å; F545-D547 PolarHBondContact O-N 2.96Å; F545-R548 PolarHBondContact O-N 3Å; F545-C549 VanDerWaalsContact O-CB 3.28Å; F545-C549 WeakPolarHBondContact O-CB 3.38Å; F545-C549 PolarHBondContact O-N 3.24Å; F545-F566 HydrophobicContact CE1-CB 4.23Å; F545-F566 AromaticContact CE1-CD1 3.84Å; F545-F566 HydrophobicContact CE1-CD1 3.84Å; F545-F566 AromaticContact CE1-CD2 3.96Å; F545-F566 HydrophobicContact CE1-CD2 3.96Å; F545-F566 HydrophobicContact CE1-CE1 4.1Å; F545-F566 HydrophobicContact CE1-CE2 4.23Å; F545-F566 AromaticContact CE1-CG 3.74Å; F545-F566 HydrophobicContact CE1-CG 3.74Å; F545-F566 HydrophobicContact CE1-CZ 4.29Å; F545-F566 AromaticContact CZ-CD2 3.94Å; F545-F566 HydrophobicContact CZ-CD2 3.94Å; F545-F566 HydrophobicContact CZ-CE2 4.01Å; F545-F566 HydrophobicContact CZ-CG 4.21Å; F545-F566 HydrophobicContact CZ-CZ 4.34Å; F545-F606 VanDerWaalsContact CB-O 3.23Å; F545-F606 WeakPolarHBondContact CB-O 3.3Å; F545-F606 HydrophobicContact CD1-CB 4.24Å; F545-F606 AromaticContact CD1-CD1 3.69Å; F545-F606 HydrophobicContact CD1-CD1 3.69Å; F545-F606 HydrophobicContact CD1-CG 4.32Å; F545-F606 HydrophobicContact CD2-CD1 4.32Å; F545-F606 AromaticContact CE1-CD1 3.42Å; F545-F606 HydrophobicContact CE1-CD1 3.42Å; F545-F606 VanDerWaalsContact CE1-CD1 3.42Å; F545-F606 AromaticContact CE1-CE1 3.8Å; F545-F606 HydrophobicContact CE1-CE1 3.8Å; F545-F606 HydrophobicContact CE1-CG 4.38Å; F545-F606 HydrophobicContact CE2-CD1 4.12Å; F545-F606 HydrophobicContact CG-CB 4.42Å; F545-F606 HydrophobicContact CG-CD1 4.14Å; F545-F606 AromaticContact CZ-CD1 3.66Å; F545-F606 HydrophobicContact CZ-CD1 3.66Å; F545-F606 AromaticContact CZ-CE1 3.81Å; F545-F606 HydrophobicContact CZ-CE1 3.81Å; F545-N609 PolarHBondContact N-OD1 3.37Å
546S95.5Very high94.8Very high16 Ų1619.7 Ų19.711%0.11210%0.1CC..Hα-helixtrans-66.6-31.2-177.5-64.40000112.6P544 R550 G608 N609P544-S546 VanDerWaalsContact C-N 3.34Å; P544-S546 PolarHBondContact O-N 2.86Å; S546-R550 WeakPolarHBondContact O-CB 3.48Å; S546-G608 VanDerWaalsContact OG-CA 3.31Å; S546-G608 WeakPolarHBondContact OG-CA 3.33Å; S546-G608 PolarHBondContact OG-N 3.06Å; S546-N609 WeakPolarHBondContact CA-OD1 3.29Å; S546-N609 WeakPolarHBondContact CB-OD1 3.45Å; S546-N609 PolarHBondContact N-OD1 2.83Å
547D95.9Very high94.6Very high37 Ų3724.1 Ų24.120%0.19812%0.119CC..Hα-helixtrans-80.9-45174.3-64.5-17.6000111.6P544 F545 R550 D561 N609P544-D547 HydrophobicContact CB-CB 4.35Å; P544-D547 PolarHBondContact O-N 3.4Å; F545-D547 VanDerWaalsContact C-N 3.27Å; F545-D547 PolarHBondContact O-N 2.96Å; D547-R550 IonicContact OD1-CZ 3.6Å; D547-R550 IonicContact OD1-NH2 3.67Å; D547-R550 PolarHBondContact OD1-NH2 3.46Å; D547-D561 HydrophobicContact CB-CB 4.07Å; D547-N609 VanDerWaalsContact CG-ND2 3.25Å; D547-N609 PolarHBondContact N-OD1 2.93Å; D547-N609 PolarHBondContact OD1-ND2 3.26Å; D547-N609 VanDerWaalsContact OD1-ND2 3.08Å; D547-N609 PolarHBondContact OD2-ND2 3.45Å
548R97.2Very high94.3Very high10 Ų1028.7 Ų28.74%0.03815%0.149CC..Hα-helixtrans-69.4-39.3-176.1-66.4-34.2179.9-129.6-12.4113.3D507 P544 F545 D561 S563D507-R548 IonicContact OD1-CZ 2.87Å; D507-R548 IonicContact OD1-NE 3.66Å; D507-R548 PolarHBondContact OD1-NE 3.13Å; D507-R548 IonicContact OD1-NH2 3.64Å; D507-R548 IonicContact OD2-CZ 2.93Å; D507-R548 IonicContact OD2-NE 3.96Å; D507-R548 IonicContact OD2-NH2 3.69Å; D507-R548 PolarHBondContact OD2-NH2 2.94Å; P544-R548 HydrophobicContact CG-CG 4.14Å; P544-R548 WeakPolarHBondContact O-CG 3.29Å; P544-R548 PolarHBondContact O-N 3.4Å; F545-R548 PolarHBondContact O-N 3Å; R548-D561 WeakPolarHBondContact CD-O 3.46Å; R548-D561 PolarHBondContact NH1-O 3.23Å; R548-D561 IonicContact NH1-OD1 2.71Å; R548-S563 PolarHBondContact O-N 3.24Å
549C95.8Very high93.9Very high4 Ų431 Ų313%0.02716%0.163CC..THydrogen-bonded Turntrans-102.412.7-175.4-570000113.1F545 N551 A598 Y599F545-C549 VanDerWaalsContact O-CB 3.28Å; F545-C549 WeakPolarHBondContact O-CB 3.38Å; F545-C549 PolarHBondContact O-N 3.24Å; C549-N551 VanDerWaalsContact C-N 3.31Å; C549-N551 PolarHBondContact O-N 3.41Å; C549-A598 VanDerWaalsContact CB-O 3.31Å; C549-A598 WeakPolarHBondContact CB-O 3.3Å; C549-Y599 HydrophobicContact CB-CD1 3.82Å; C549-Y599 HydrophobicContact CB-CD2 4.39Å; C549-Y599 HydrophobicContact CB-CE1 3.97Å; C549-Y599 HydrophobicContact CB-CE2 4.49Å; C549-Y599 HydrophobicContact CB-CG 4.07Å
550R93.3Very high93.6Very high85 Ų8538.6 Ų38.632%0.32120%0.196SC..SBendtrans-55.8-48.9177.8-170177.4-65.3149.31.1111.3K73 S546 D547 E562K73-R550 WeakPolarHBondContact CE-O 3.41Å; K73-R550 PolarHBondContact NZ-O 2.94Å; S546-R550 WeakPolarHBondContact O-CB 3.48Å; D547-R550 IonicContact OD1-CZ 3.6Å; D547-R550 IonicContact OD1-NH2 3.67Å; D547-R550 PolarHBondContact OD1-NH2 3.46Å; R550-E562 HydrophobicContact CB-CG 4.22Å
551N93.8Very high93.7Very high27 Ų2741 Ų4114%0.14421%0.209CC..SBendtrans-130.6162.5175.2-60.2-66.5000109.8D45 C549 E562D45-N551 WeakPolarHBondContact OD1-CA 3.15Å; C549-N551 VanDerWaalsContact C-N 3.31Å; C549-N551 PolarHBondContact O-N 3.41Å; N551-E562 HydrophobicContact CB-CG 3.98Å; N551-E562 PolarHBondContact ND2-OE1 3.3Å
552S94.8Very high93.7Very high0 Ų041.4 Ų41.40%021%0.211CC..  trans-118.5-148.3-179-168.90000110.7D45 K73 F75D45-S552 VanDerWaalsContact CG-N 3.34Å; D45-S552 PolarHBondContact OD1-N 3.09Å; D45-S552 WeakPolarHBondContact OD2-CA 3.44Å; D45-S552 WeakPolarHBondContact OD2-CB 3.49Å; D45-S552 PolarHBondContact OD2-N 2.89Å; K73-S552 PolarHBondContact O-OG 2.9Å; F75-S552 WeakPolarHBondContact CE1-OG 3.49Å
553A94.6Very high93.8Very high8 Ų841.3 Ų41.37%0.06621%0.21CC..SBendtrans-75.4-20.9-168.900000115D45 F75 F321 R322 I325D45-A553 PolarHBondContact OD2-N 2.99Å; F75-A553 HydrophobicContact CD1-CB 4.2Å; F75-A553 HydrophobicContact CE1-CB 3.95Å; F321-A553 HydrophobicContact CD1-CB 4.01Å; F321-A553 HydrophobicContact CE1-CB 3.93Å; R322-A553 WeakPolarHBondContact CG-O 3.42Å; I325-A553 HydrophobicContact CB-CB 3.64Å; I325-A553 HydrophobicContact CG1-CB 3.55Å; I325-A553 HydrophobicContact CG2-CB 3.78Å
554F94.2Very high93.8Very high23 Ų2341.2 Ų41.210%0.10121%0.209CC..SBendtrans-102.3-4.9-175.8-70.4-49.7000114.2D45 Y71 F75 I77 I325 T329 I556D45-F554 HydrophobicContact CB-CB 4.33Å; D45-F554 WeakPolarHBondContact OD2-CA 3.26Å; D45-F554 PolarHBondContact OD2-N 2.95Å; Y71-F554 VanDerWaalsContact CB-CB 3.47Å; Y71-F554 HydrophobicContact CD1-CB 4.12Å; Y71-F554 AromaticContact CD1-CD1 3.77Å; Y71-F554 HydrophobicContact CD1-CD1 3.77Å; Y71-F554 AromaticContact CD1-CD2 3.86Å; Y71-F554 HydrophobicContact CD1-CD2 3.86Å; Y71-F554 HydrophobicContact CD1-CE1 4.06Å; Y71-F554 HydrophobicContact CD1-CE2 4.08Å; Y71-F554 AromaticContact CD1-CG 3.67Å; Y71-F554 HydrophobicContact CD1-CG 3.67Å; Y71-F554 HydrophobicContact CD1-CZ 4.19Å; Y71-F554 HydrophobicContact CE1-CD1 4.31Å; Y71-F554 HydrophobicContact CE1-CE1 4.41Å; Y71-F554 HydrophobicContact CG-CB 3.92Å; Y71-F554 HydrophobicContact CG-CD1 4.43Å; Y71-F554 HydrophobicContact CG-CD2 4.23Å; Y71-F554 AromaticContact CG-CG 3.98Å; Y71-F554 HydrophobicContact CG-CG 3.98Å; F75-F554 HydrophobicContact CB-CE2 4.22Å; I77-F554 HydrophobicContact CD1-CE2 4.5Å; I77-F554 HydrophobicContact CD1-CZ 3.96Å; I77-F554 HydrophobicContact CG1-CE2 4.12Å; I77-F554 HydrophobicContact CG1-CZ 4.09Å; I325-F554 HydrophobicContact CG2-CE1 4Å; I325-F554 HydrophobicContact CG2-CE2 4.22Å; I325-F554 HydrophobicContact CG2-CZ 3.75Å; T329-F554 HydrophobicContact CG2-CZ 3.94Å; F554-I556 PolarHBondContact O-N 2.99Å
555S91.6Very high93.8Very high8 Ų840.6 Ų40.66%0.05621%0.205CC..  trans-57.6125.7175.61780000111.9D45 R322 K557D45-S555 WeakPolarHBondContact O-CA 3.21Å; D45-S555 PolarHBondContact OD2-N 3.49Å; R322-S555 PolarHBondContact NH1-O 2.98Å; R322-S555 VanDerWaalsContact NH1-O 3.11Å; R322-S555 PolarHBondContact NH2-O 2.8Å; S555-K557 PolarHBondContact OG-N 3.19Å
556I85.3Confident93.8Very high125 Ų12540.6 Ų40.664%0.64121%0.205SC*.  trans-74.5-23.9-179.2-54.4167.9000110F47 F554F47-I556 WeakPolarHBondContact O-CD1 2.94Å; F554-I556 PolarHBondContact O-N 2.99Å
557K87.5Confident94Very high114 Ų11440 Ų4050%0.49620%0.201SC..SBendtrans-66141.1179.6-63.5176.8-177.8173.50109.7R322 S555R322-K557 PolarHBondContact NH1-O 3.04Å; R322-K557 PolarHBondContact NH2-O 3.39Å; S555-K557 PolarHBondContact OG-N 3.19Å
558P88.3Confident94.1Very high99 Ų9938.7 Ų38.764%0.64319%0.194SC*.PPolyproline II helixtrans-59.5135.7172.326-33.2000108.9K560P558-K560 PolarHBondContact O-N 3.04Å
559P89Confident94.2Very high48 Ų4838.2 Ų38.231%0.31219%0.192SC..PPolyproline II helixtrans-63.5132.2179.627.9-32.5000109.3I318I318-P559 HydrophobicContact CG1-CB 4.08Å; I318-P559 HydrophobicContact CG2-CB 3.67Å; I318-P559 HydrophobicContact CG2-CG 3.94Å
560K91Very high94.3Very high170 Ų17038 Ų3874%0.73919%0.19SC*.SBendtrans-102.4-66.3174.6-65.7-176.9-179.9-179.60109.6P558 E562P558-K560 PolarHBondContact O-N 3.04Å; K560-E562 PolarHBondContact N-OE2 2.92Å
561D94.1Very high94.6Very high66 Ų6634 Ų3435%0.35318%0.175SC..SBendtrans-125.5-5.9-175.9-71.4-62.7000112.1D547 R548D547-D561 HydrophobicContact CB-CB 4.07Å; R548-D561 WeakPolarHBondContact CD-O 3.46Å; R548-D561 PolarHBondContact NH1-O 3.23Å; R548-D561 IonicContact NH1-OD1 2.71Å
562E95.9Very high94.8Very high8 Ų832.7 Ų32.74%0.03717%0.168CC..  trans-66.2139-178.4-60.191.3160.600111.5I318 R550 N551 K560I318-E562 WeakPolarHBondContact CB-O 3.41Å; I318-E562 WeakPolarHBondContact CG2-O 3.43Å; R550-E562 HydrophobicContact CB-CG 4.22Å; N551-E562 HydrophobicContact CB-CG 3.98Å; N551-E562 PolarHBondContact ND2-OE1 3.3Å; K560-E562 PolarHBondContact N-OE2 2.92Å
563S97.8Very high95Very high1 Ų132.7 Ų32.71%0.00717%0.168CC..  trans-162.2132.3178.8-171.60000111.4T314 R548 V565T314-S563 WeakPolarHBondContact CA-OG 3.44Å; T314-S563 WeakPolarHBondContact CB-OG 3.38Å; T314-S563 PolarHBondContact O-OG 2.81Å; R548-S563 PolarHBondContact O-N 3.24Å; S563-V565 PolarHBondContact O-N 3.19Å; S563-V565 VanDerWaalsContact OG-CG2 3.25Å; S563-V565 WeakPolarHBondContact OG-CG2 3.32Å
564P97.8Very high95.2Very high0 Ų033.3 Ų33.30%017%0.169CC..THydrogen-bonded Turntrans-8241.9-176.937.4-39.2000111.9L317 F321 W439 F566 I567 L568L317-P564 HydrophobicContact CD2-CG 4.36Å; L317-P564 HydrophobicContact CG-CG 3.89Å; F321-P564 HydrophobicContact CB-CB 4.37Å; F321-P564 HydrophobicContact CB-CG 3.55Å; F321-P564 HydrophobicContact CD1-CB 3.65Å; F321-P564 HydrophobicContact CD1-CG 3.75Å; F321-P564 HydrophobicContact CD2-CB 4.22Å; F321-P564 HydrophobicContact CD2-CG 4.15Å; F321-P564 HydrophobicContact CE1-CB 3.87Å; F321-P564 HydrophobicContact CE1-CG 4.46Å; F321-P564 HydrophobicContact CE2-CB 4.41Å; F321-P564 HydrophobicContact CG-CB 3.83Å; F321-P564 HydrophobicContact CG-CG 3.56Å; F321-P564 HydrophobicContact CZ-CB 4.25Å; W439-P564 HydrophobicContact CH2-CB 4.31Å; W439-P564 HydrophobicContact CH2-CG 4.1Å; W439-P564 HydrophobicContact CZ3-CG 4.06Å; P564-F566 VanDerWaalsContact C-N 3.33Å; P564-F566 PolarHBondContact O-N 2.81Å; P564-I567 HydrophobicContact CB-CB 4.2Å; P564-I567 PolarHBondContact O-N 3.3Å; P564-L568 WeakPolarHBondContact O-CB 3.29Å; P564-L568 PolarHBondContact O-N 3.27Å
565V98.5Very high95.4Very high2 Ų232.2 Ų32.21%0.01216%0.164CC..Hα-helixtrans-63.7-41.3-177.2-173.20000110.8T314 L317 D507 L511 W538 S563 L568 F569T314-V565 HydrophobicContact CG2-CG2 4.25Å; L317-V565 HydrophobicContact CD2-CB 4.5Å; L317-V565 HydrophobicContact CD2-CG2 3.88Å; D507-V565 HydrophobicContact CB-CG1 4.38Å; D507-V565 HydrophobicContact CB-CG2 4.19Å; L511-V565 HydrophobicContact CB-CG1 4.09Å; L511-V565 HydrophobicContact CD2-CG1 4.37Å; W538-V565 HydrophobicContact CH2-CG1 4.19Å; W538-V565 HydrophobicContact CZ3-CG1 4.4Å; S563-V565 PolarHBondContact O-N 3.19Å; S563-V565 VanDerWaalsContact OG-CG2 3.25Å; S563-V565 WeakPolarHBondContact OG-CG2 3.32Å; V565-L568 WeakPolarHBondContact O-CB 3.36Å; V565-L568 PolarHBondContact O-N 2.93Å; V565-F569 PolarHBondContact O-N 2.92Å
566F98.7Very high95.6Very high2 Ų231.9 Ų31.91%0.00916%0.162CC..Hα-helixtrans-69.7-35.1178-168.1-119000112.2I534 W538 F545 P564 F569 L570 I594 A598 F606I534-F566 HydrophobicContact CD1-CZ 4.19Å; I534-F566 HydrophobicContact CG1-CE2 4.49Å; I534-F566 HydrophobicContact CG1-CZ 4.48Å; I534-F566 HydrophobicContact CG2-CZ 4.43Å; W538-F566 AromaticContact CD2-CD2 3.64Å; W538-F566 HydrophobicContact CD2-CD2 3.64Å; W538-F566 AromaticContact CD2-CE2 3.81Å; W538-F566 HydrophobicContact CD2-CE2 3.81Å; W538-F566 AromaticContact CE2-CD2 3.84Å; W538-F566 AromaticContact CE2-CE2 3.99Å; W538-F566 AromaticContact CE3-CD2 3.47Å; W538-F566 HydrophobicContact CE3-CD2 3.47Å; W538-F566 VanDerWaalsContact CE3-CD2 3.47Å; W538-F566 HydrophobicContact CE3-CE2 4.08Å; W538-F566 HydrophobicContact CE3-CG 4.41Å; W538-F566 HydrophobicContact CG-CD2 4.44Å; W538-F566 HydrophobicContact CG-CE2 4.16Å; W538-F566 HydrophobicContact CH2-CB 4.38Å; W538-F566 AromaticContact CH2-CD2 3.79Å; W538-F566 HydrophobicContact CH2-CD2 3.79Å; W538-F566 AromaticContact CZ2-CD2 3.94Å; W538-F566 HydrophobicContact CZ2-CD2 3.94Å; W538-F566 HydrophobicContact CZ2-CE2 4.46Å; W538-F566 HydrophobicContact CZ3-CB 3.99Å; W538-F566 AromaticContact CZ3-CD2 3.55Å; W538-F566 HydrophobicContact CZ3-CD2 3.55Å; W538-F566 HydrophobicContact CZ3-CG 4.25Å; F545-F566 HydrophobicContact CE1-CB 4.23Å; F545-F566 AromaticContact CE1-CD1 3.84Å; F545-F566 HydrophobicContact CE1-CD1 3.84Å; F545-F566 AromaticContact CE1-CD2 3.96Å; F545-F566 HydrophobicContact CE1-CD2 3.96Å; F545-F566 HydrophobicContact CE1-CE1 4.1Å; F545-F566 HydrophobicContact CE1-CE2 4.23Å; F545-F566 AromaticContact CE1-CG 3.74Å; F545-F566 HydrophobicContact CE1-CG 3.74Å; F545-F566 HydrophobicContact CE1-CZ 4.29Å; F545-F566 AromaticContact CZ-CD2 3.94Å; F545-F566 HydrophobicContact CZ-CD2 3.94Å; F545-F566 HydrophobicContact CZ-CE2 4.01Å; F545-F566 HydrophobicContact CZ-CG 4.21Å; F545-F566 HydrophobicContact CZ-CZ 4.34Å; P564-F566 VanDerWaalsContact C-N 3.33Å; P564-F566 PolarHBondContact O-N 2.81Å; F566-F569 AromaticContact CD2-CD1 3.99Å; F566-F569 HydrophobicContact CD2-CD1 3.99Å; F566-F569 AromaticContact CE2-CD1 3.85Å; F566-F569 HydrophobicContact CE2-CD1 3.85Å; F566-F569 HydrophobicContact CE2-CE1 4.18Å; F566-F569 WeakPolarHBondContact O-CB 3.43Å; F566-F569 PolarHBondContact O-N 3.46Å; F566-L570 HydrophobicContact CD1-CD1 4.08Å; F566-L570 HydrophobicContact CE1-CD1 3.89Å; F566-L570 HydrophobicContact CE1-CG 4.38Å; F566-L570 HydrophobicContact CZ-CD1 4.47Å; F566-L570 HydrophobicContact CZ-CD2 4.4Å; F566-L570 WeakPolarHBondContact O-CG 3.4Å; F566-L570 PolarHBondContact O-N 2.86Å; F566-I594 HydrophobicContact CE1-CG2 3.53Å; F566-I594 HydrophobicContact CZ-CG2 3.58Å; F566-A598 HydrophobicContact CD1-CB 3.56Å; F566-A598 HydrophobicContact CE1-CB 3.64Å; F566-F606 HydrophobicContact CE1-CE1 4.1Å; F566-F606 HydrophobicContact CE1-CZ 4.18Å; F566-F606 AromaticContact CZ-CE1 3.92Å; F566-F606 HydrophobicContact CZ-CE1 3.92Å; F566-F606 HydrophobicContact CZ-CZ 4.11Å
567I98.5Very high96.1Very high3 Ų326.9 Ų26.92%0.01514%0.136CC..Hα-helixtrans-66.4-41.9172.5-62.7-61.2000110.8F321 W439 P564 F569 L570 D571 A595 Y599 L680 Y681F321-I567 HydrophobicContact CE2-CG2 4.02Å; F321-I567 HydrophobicContact CZ-CG2 4.03Å; W439-I567 HydrophobicContact CZ2-CG2 4.26Å; P564-I567 HydrophobicContact CB-CB 4.2Å; P564-I567 PolarHBondContact O-N 3.3Å; I567-F569 VanDerWaalsContact C-N 3.26Å; I567-F569 PolarHBondContact O-N 3.05Å; I567-L570 PolarHBondContact O-N 3.16Å; I567-D571 WeakPolarHBondContact O-CB 3.44Å; I567-D571 PolarHBondContact O-N 2.67Å; I567-A595 HydrophobicContact CD1-CB 3.79Å; I567-Y599 HydrophobicContact CD1-CD2 4.45Å; I567-Y599 HydrophobicContact CD1-CE2 3.8Å; I567-Y599 HydrophobicContact CG1-CE2 3.63Å; I567-L680 HydrophobicContact CG2-CD2 4.19Å; I567-Y681 HydrophobicContact CG2-CE1 4.03Å; I567-Y681 WeakPolarHBondContact CG2-OH 3.24Å
568L98.7Very high96.5Very high9 Ų926.1 Ų26.15%0.04713%0.13CC..Hα-helixtrans-58-40.9174179.760.2000111.6L317 W439 L442 V443 A446 L511 P564 V565 C572L317-L568 HydrophobicContact CD1-CD2 4.09Å; L317-L568 HydrophobicContact CD2-CD2 4.19Å; W439-L568 HydrophobicContact CH2-CB 3.8Å; W439-L568 HydrophobicContact CH2-CD1 4.12Å; W439-L568 HydrophobicContact CH2-CG 4.5Å; W439-L568 HydrophobicContact CZ2-CB 4.11Å; W439-L568 HydrophobicContact CZ2-CD1 4.02Å; L442-L568 HydrophobicContact CB-CD1 4.46Å; V443-L568 HydrophobicContact CB-CD1 4.32Å; V443-L568 HydrophobicContact CG2-CD1 3.68Å; A446-L568 HydrophobicContact CB-CD2 4.38Å; A446-L568 HydrophobicContact CB-CG 4.48Å; L511-L568 HydrophobicContact CD2-CD2 3.68Å; L511-L568 HydrophobicContact CD2-CG 4.14Å; P564-L568 WeakPolarHBondContact O-CB 3.29Å; P564-L568 PolarHBondContact O-N 3.27Å; V565-L568 WeakPolarHBondContact O-CB 3.36Å; V565-L568 PolarHBondContact O-N 2.93Å; L568-C572 WeakPolarHBondContact O-CB 3.42Å; L568-C572 PolarHBondContact O-N 3.32Å; L568-C572 PolarHBondContact O-SG 3.43Å
569F98.9Very high96.7Very high0 Ų023.7 Ų23.70%011%0.11CC..Hα-helixtrans-59.8-53173165-112.4000112.1L511 S514 L515 I518 F530 L533 W538 V565 F566 I567 D571 C572 V573L511-F569 HydrophobicContact CD1-CB 3.47Å; L511-F569 VanDerWaalsContact CD1-CB 3.47Å; L511-F569 HydrophobicContact CD1-CD2 4.32Å; L511-F569 HydrophobicContact CD1-CG 4.39Å; S514-F569 VanDerWaalsContact CB-CE2 3.5Å; L515-F569 HydrophobicContact CD2-CD2 3.89Å; L515-F569 HydrophobicContact CD2-CE2 4.1Å; L515-F569 HydrophobicContact CG-CD2 4.11Å; I518-F569 HydrophobicContact CG1-CE2 4.44Å; F530-F569 HydrophobicContact CE2-CE1 4.17Å; F530-F569 AromaticContact CE2-CZ 3.8Å; F530-F569 HydrophobicContact CE2-CZ 3.8Å; F530-F569 AromaticContact CZ-CE1 3.86Å; F530-F569 HydrophobicContact CZ-CE1 3.86Å; F530-F569 AromaticContact CZ-CZ 3.98Å; F530-F569 HydrophobicContact CZ-CZ 3.98Å; L533-F569 HydrophobicContact CD2-CZ 4.17Å; W538-F569 AromaticContact CE2-CD1 3.9Å; W538-F569 HydrophobicContact CH2-CB 3.73Å; W538-F569 HydrophobicContact CH2-CD1 4.5Å; W538-F569 HydrophobicContact CH2-CG 4.18Å; W538-F569 HydrophobicContact CZ2-CB 3.41Å; W538-F569 VanDerWaalsContact CZ2-CB 3.41Å; W538-F569 AromaticContact CZ2-CD1 3.65Å; W538-F569 HydrophobicContact CZ2-CD1 3.65Å; W538-F569 AromaticContact CZ2-CD2 3.9Å; W538-F569 HydrophobicContact CZ2-CD2 3.9Å; W538-F569 HydrophobicContact CZ2-CE1 4.39Å; W538-F569 AromaticContact CZ2-CG 3.36Å; W538-F569 HydrophobicContact CZ2-CG 3.36Å; W538-F569 AromaticContact NE1-CD1 3.96Å; W538-F569 AromaticContact NE1-CE1 3.83Å; V565-F569 PolarHBondContact O-N 2.92Å; F566-F569 AromaticContact CD2-CD1 3.99Å; F566-F569 HydrophobicContact CD2-CD1 3.99Å; F566-F569 AromaticContact CE2-CD1 3.85Å; F566-F569 HydrophobicContact CE2-CD1 3.85Å; F566-F569 HydrophobicContact CE2-CE1 4.18Å; F566-F569 WeakPolarHBondContact O-CB 3.43Å; F566-F569 PolarHBondContact O-N 3.46Å; I567-F569 VanDerWaalsContact C-N 3.26Å; I567-F569 PolarHBondContact O-N 3.05Å; F569-D571 VanDerWaalsContact C-N 3.29Å; F569-D571 PolarHBondContact O-N 3.38Å; F569-C572 WeakPolarHBondContact O-CB 3.49Å; F569-C572 PolarHBondContact O-N 3.03Å; F569-V573 HydrophobicContact CD2-CG2 4.11Å; F569-V573 HydrophobicContact CE1-CG2 4.37Å; F569-V573 HydrophobicContact CE2-CG2 3.62Å; F569-V573 HydrophobicContact CZ-CG2 3.78Å; F569-V573 WeakPolarHBondContact O-CG2 3.28Å; F569-V573 PolarHBondContact O-N 3.41Å
570L98.8Very high96.8Very high0 Ų024.3 Ų24.30%011%0.107CC..Hα-helixtrans-62.3-38-178.6-65.1175.8000112F530 F566 I567 V573 W574 L591 I594 A595 W677F530-L570 HydrophobicContact CE1-CD2 4.27Å; F530-L570 HydrophobicContact CZ-CD2 3.97Å; F566-L570 HydrophobicContact CD1-CD1 4.08Å; F566-L570 HydrophobicContact CE1-CD1 3.89Å; F566-L570 HydrophobicContact CE1-CG 4.38Å; F566-L570 HydrophobicContact CZ-CD1 4.47Å; F566-L570 HydrophobicContact CZ-CD2 4.4Å; F566-L570 WeakPolarHBondContact O-CG 3.4Å; F566-L570 PolarHBondContact O-N 2.86Å; I567-L570 PolarHBondContact O-N 3.16Å; L570-V573 PolarHBondContact O-N 3.38Å; L570-W574 WeakPolarHBondContact O-CB 3.31Å; L570-W574 PolarHBondContact O-N 2.97Å; L570-L591 HydrophobicContact CD2-CD2 4.04Å; L570-I594 HydrophobicContact CD1-CG2 4.04Å; L570-I594 HydrophobicContact CD2-CG2 4.08Å; L570-A595 HydrophobicContact CD1-CB 3.67Å; L570-W677 HydrophobicContact CB-CH2 4.27Å; L570-W677 HydrophobicContact CB-CZ3 3.9Å
571D98.7Very high96.7Very high0 Ų019.4 Ų19.40%09%0.092CC..Hα-helixtrans-62.2-46.5174.5-162.8-34.3000110.6W439 V443 I567 F569 V573 W574 Q575 W677 Y681W439-D571 PolarHBondContact NE1-OD2 3.37Å; V443-D571 HydrophobicContact CG2-CB 4.42Å; I567-D571 WeakPolarHBondContact O-CB 3.44Å; I567-D571 PolarHBondContact O-N 2.67Å; F569-D571 VanDerWaalsContact C-N 3.29Å; F569-D571 PolarHBondContact O-N 3.38Å; D571-V573 VanDerWaalsContact C-N 3.28Å; D571-V573 PolarHBondContact O-N 2.95Å; D571-W574 CarbonylContact O-C 3.59Å; D571-W574 WeakPolarHBondContact O-CA 3.26Å; D571-W574 WeakPolarHBondContact O-CB 3.23Å; D571-W574 PolarHBondContact O-N 3.18Å; D571-Q575 WeakPolarHBondContact O-CG 3.12Å; D571-Q575 PolarHBondContact O-N 3.24Å; D571-Q575 PolarHBondContact OD1-NE2 2.87Å; D571-W677 HydrophobicContact CB-CE3 4.28Å; D571-Y681 VanDerWaalsContact OD2-CE2 3.26Å; D571-Y681 WeakPolarHBondContact OD2-CE2 3.25Å; D571-Y681 PolarHBondContact OD2-OH 3.44Å
572C98.8Very high96.5Very high0 Ų020.2 Ų20.20%010%0.097CC..Hα-helixtrans-58-39.8173.8-68.20000112.4L447 L515 L568 F569 Q575 L576L447-C572 HydrophobicContact CD2-CB 3.76Å; L447-C572 HydrophobicContact CG-CB 4.08Å; L515-C572 HydrophobicContact CD1-CB 3.79Å; L515-C572 HydrophobicContact CD2-CB 3.49Å; L515-C572 VanDerWaalsContact CD2-CB 3.49Å; L515-C572 HydrophobicContact CG-CB 4.28Å; L568-C572 WeakPolarHBondContact O-CB 3.42Å; L568-C572 PolarHBondContact O-N 3.32Å; L568-C572 PolarHBondContact O-SG 3.43Å; F569-C572 WeakPolarHBondContact O-CB 3.49Å; F569-C572 PolarHBondContact O-N 3.03Å; C572-Q575 PolarHBondContact O-N 3.04Å; C572-L576 PolarHBondContact O-N 3.07Å; C572-L576 VanDerWaalsContact O-N 3.13Å
573V98.7Very high96.3Very high0 Ų020.7 Ų20.70%010%0.101CC..Hα-helixtrans-66.2-39.4174.4177.40000111L515 I518 F530 F569 L570 D571 L576 L577 F584 F586 L591L515-V573 HydrophobicContact CD2-CG2 4.19Å; I518-V573 HydrophobicContact CG1-CG2 4.28Å; F530-V573 HydrophobicContact CE2-CG1 4.05Å; F530-V573 HydrophobicContact CE2-CG2 4.13Å; F530-V573 HydrophobicContact CZ-CG1 4.27Å; F530-V573 HydrophobicContact CZ-CG2 4.4Å; F569-V573 HydrophobicContact CD2-CG2 4.11Å; F569-V573 HydrophobicContact CE1-CG2 4.37Å; F569-V573 HydrophobicContact CE2-CG2 3.62Å; F569-V573 HydrophobicContact CZ-CG2 3.78Å; F569-V573 WeakPolarHBondContact O-CG2 3.28Å; F569-V573 PolarHBondContact O-N 3.41Å; L570-V573 PolarHBondContact O-N 3.38Å; D571-V573 VanDerWaalsContact C-N 3.28Å; D571-V573 PolarHBondContact O-N 2.95Å; V573-L576 WeakPolarHBondContact O-CB 3.42Å; V573-L576 PolarHBondContact O-N 2.9Å; V573-L577 WeakPolarHBondContact O-CB 3.43Å; V573-L577 PolarHBondContact O-N 3.39Å; V573-F584 HydrophobicContact CG1-CE1 4.02Å; V573-F586 HydrophobicContact CG1-CE2 4.36Å; V573-F586 HydrophobicContact CG1-CZ 4.3Å; V573-L591 HydrophobicContact CB-CD1 4.43Å; V573-L591 HydrophobicContact CB-CD2 4.41Å; V573-L591 HydrophobicContact CG1-CD1 4.06Å; V573-L591 HydrophobicContact CG1-CD2 3.87Å
574W98.4Very high96.2Very high22 Ų2220.6 Ų20.68%0.08310%0.1CC..Hα-helixtrans-63-40.2174.9-178.986.1000112.1L570 D571 L576 L577 R578 L591 D675 I676 W677L570-W574 WeakPolarHBondContact O-CB 3.31Å; L570-W574 PolarHBondContact O-N 2.97Å; D571-W574 CarbonylContact O-C 3.59Å; D571-W574 WeakPolarHBondContact O-CA 3.26Å; D571-W574 WeakPolarHBondContact O-CB 3.23Å; D571-W574 PolarHBondContact O-N 3.18Å; W574-L576 VanDerWaalsContact C-N 3.31Å; W574-L576 PolarHBondContact O-N 3.42Å; W574-L577 PolarHBondContact O-N 2.92Å; W574-R578 HydrophobicContact CD2-CG 4.4Å; W574-R578 HydrophobicContact CZ2-CG 4.3Å; W574-R578 VanDerWaalsContact CZ3-CD 3.4Å; W574-R578 PolarHBondContact O-N 2.8Å; W574-L591 HydrophobicContact CB-CD1 3.91Å; W574-D675 HydrophobicContact CH2-CB 4.23Å; W574-D675 HydrophobicContact CZ3-CB 4.21Å; W574-D675 WeakPolarHBondContact CZ3-O 3.47Å; W574-I676 WeakPolarHBondContact CH2-O 3.12Å; W574-W677 HydrophobicContact CB-CD2 4.06Å; W574-W677 HydrophobicContact CB-CE3 3.96Å; W574-W677 HydrophobicContact CB-CZ3 4.23Å; W574-W677 AromaticContact CD1-CD1 3.77Å; W574-W677 AromaticContact CD1-CD2 3.84Å; W574-W677 AromaticContact CD1-CE2 3.55Å; W574-W677 AromaticContact CD1-NE1 3.48Å; W574-W677 HydrophobicContact CD2-CB 3.9Å; W574-W677 AromaticContact CD2-CD1 3.91Å; W574-W677 HydrophobicContact CD2-CD2 4.05Å; W574-W677 AromaticContact CD2-CG 3.69Å; W574-W677 HydrophobicContact CD2-CG 3.69Å; W574-W677 AromaticContact CE2-CD1 3.41Å; W574-W677 VanDerWaalsContact CE2-CD1 3.41Å; W574-W677 AromaticContact CE2-CG 3.67Å; W574-W677 AromaticContact CE2-NE1 3.93Å; W574-W677 HydrophobicContact CE3-CB 3.87Å; W574-W677 HydrophobicContact CE3-CG 4.19Å; W574-W677 HydrophobicContact CG-CB 4.49Å; W574-W677 AromaticContact CG-CD2 3.72Å; W574-W677 HydrophobicContact CG-CD2 3.72Å; W574-W677 AromaticContact CG-CE2 3.91Å; W574-W677 HydrophobicContact CG-CE3 4.13Å; W574-W677 AromaticContact CG-CG 3.89Å; W574-W677 HydrophobicContact CG-CG 3.89Å; W574-W677 HydrophobicContact CH2-CB 4.15Å; W574-W677 HydrophobicContact CZ2-CB 4.16Å; W574-W677 AromaticContact CZ2-CD1 3.79Å; W574-W677 HydrophobicContact CZ2-CG 4.13Å; W574-W677 HydrophobicContact CZ3-CB 4.01Å; W574-W677 AromaticContact NE1-CD1 3.35Å; W574-W677 VanDerWaalsContact NE1-CD1 3.35Å; W574-W677 AromaticContact NE1-CE2 3.92Å; W574-W677 AromaticContact NE1-CG 3.89Å; W574-W677 AromaticContact NE1-NE1 3.36Å
575Q98Very high96Very high0 Ų022.8 Ų22.80%011%0.11CC..Hα-helixtrans-59.8-43.7172.7-57.4-56.9-27.600111.1V443 L447 D571 C572 R578 Q579 L674 D675V443-Q575 HydrophobicContact CG1-CG 3.75Å; L447-Q575 HydrophobicContact CD1-CB 4.25Å; L447-Q575 HydrophobicContact CD1-CG 4.44Å; D571-Q575 WeakPolarHBondContact O-CG 3.12Å; D571-Q575 PolarHBondContact O-N 3.24Å; D571-Q575 PolarHBondContact OD1-NE2 2.87Å; C572-Q575 PolarHBondContact O-N 3.04Å; Q575-R578 PolarHBondContact O-N 3.39Å; Q575-Q579 VanDerWaalsContact O-CG 3.32Å; Q575-Q579 WeakPolarHBondContact O-CG 3.36Å; Q575-Q579 PolarHBondContact O-N 3.28Å; Q575-Q579 VanDerWaalsContact O-N 3.13Å; Q575-L674 HydrophobicContact CB-CD2 4.25Å; Q575-L674 HydrophobicContact CG-CD2 4.01Å; Q575-D675 PolarHBondContact NE2-O 3.38Å; Q575-D675 VanDerWaalsContact OE1-N 3.17Å
576L97Very high95.9Very high0 Ų022.7 Ų22.70%011%0.11CC..Hα-helixtrans-65-42.7177-74.2167.3000112.1L447 I518 I519 C572 V573 W574 R578 Q579 Y580 F584 C665 P667L447-L576 HydrophobicContact CD2-CD1 4.24Å; L447-L576 HydrophobicContact CD2-CG 4.3Å; I518-L576 HydrophobicContact CG2-CD1 3.71Å; I519-L576 HydrophobicContact CG1-CD1 4.28Å; C572-L576 PolarHBondContact O-N 3.07Å; C572-L576 VanDerWaalsContact O-N 3.13Å; V573-L576 WeakPolarHBondContact O-CB 3.42Å; V573-L576 PolarHBondContact O-N 2.9Å; W574-L576 VanDerWaalsContact C-N 3.31Å; W574-L576 PolarHBondContact O-N 3.42Å; L576-R578 VanDerWaalsContact C-N 3.3Å; L576-R578 PolarHBondContact O-N 3.37Å; L576-Q579 PolarHBondContact O-N 2.76Å; L576-Y580 HydrophobicContact CD2-CD2 4.49Å; L576-Y580 WeakPolarHBondContact O-CB 3.34Å; L576-Y580 PolarHBondContact O-N 2.76Å; L576-F584 HydrophobicContact CB-CE2 4.15Å; L576-F584 HydrophobicContact CB-CZ 3.89Å; L576-C665 HydrophobicContact CD2-CB 4.2Å; L576-C665 WeakPolarHBondContact CD2-O 3.41Å; L576-P667 HydrophobicContact CD2-CB 3.63Å; L576-P667 HydrophobicContact CD2-CG 4.02Å
577L95.4Very high95.7Very high20 Ų2023.3 Ų23.311%0.10511%0.114CC..Hα-helixtrans-59.1-41.7176.9-173.5156000111.2V573 W574 Y580 P581 F584 F586 L591V573-L577 WeakPolarHBondContact O-CB 3.43Å; V573-L577 PolarHBondContact O-N 3.39Å; W574-L577 PolarHBondContact O-N 2.92Å; L577-Y580 CarbonylContact O-C 3.48Å; L577-Y580 VanDerWaalsContact O-C 3.3Å; L577-Y580 PolarHBondContact O-N 3.5Å; L577-P581 VanDerWaalsContact O-CA 3.25Å; L577-P581 WeakPolarHBondContact O-CA 3.46Å; L577-P581 VanDerWaalsContact O-N 3.17Å; L577-F584 HydrophobicContact CB-CD2 4.17Å; L577-F584 HydrophobicContact CB-CE2 4.36Å; L577-F584 HydrophobicContact CB-CG 4.38Å; L577-F584 HydrophobicContact CD1-CB 4.32Å; L577-F584 HydrophobicContact CD1-CG 4.44Å; L577-F584 HydrophobicContact CG-CB 4.33Å; L577-F584 HydrophobicContact CG-CD2 4.37Å; L577-F584 HydrophobicContact CG-CG 4.3Å; L577-F586 HydrophobicContact CD1-CD2 4.02Å; L577-F586 HydrophobicContact CD1-CE2 4.03Å; L577-F586 WeakPolarHBondContact CD1-O 3.38Å; L577-L591 HydrophobicContact CD1-CD1 4.44Å
578R94.6Very high95.5Very high98 Ų9824.6 Ų24.637%0.3712%0.121SC..Hα-helixtrans-64.6-39.5175.6-76.6-179.760.7-116.67113.5W574 Q575 L576 D675W574-R578 HydrophobicContact CD2-CG 4.4Å; W574-R578 HydrophobicContact CZ2-CG 4.3Å; W574-R578 VanDerWaalsContact CZ3-CD 3.4Å; W574-R578 PolarHBondContact O-N 2.8Å; Q575-R578 PolarHBondContact O-N 3.39Å; L576-R578 VanDerWaalsContact C-N 3.3Å; L576-R578 PolarHBondContact O-N 3.37Å; R578-D675 VanDerWaalsContact CZ-CB 3.45Å; R578-D675 IonicContact CZ-OD2 3.16Å; R578-D675 VanDerWaalsContact NH1-CB 3.27Å; R578-D675 IonicContact NH2-OD2 3.51Å; R578-D675 PolarHBondContact NH2-OD2 2.94Å; R578-D675 VanDerWaalsContact NH2-OD2 3.15Å
579Q92.6Very high95.3Very high48 Ų4824.9 Ų24.922%0.22412%0.122CC..Hα-helixtrans-78.7-25.4-178.8-66.5-179.522.800112.2Q575 L576 P667 C668 A673Q575-Q579 VanDerWaalsContact O-CG 3.32Å; Q575-Q579 WeakPolarHBondContact O-CG 3.36Å; Q575-Q579 PolarHBondContact O-N 3.28Å; Q575-Q579 VanDerWaalsContact O-N 3.13Å; L576-Q579 PolarHBondContact O-N 2.76Å; Q579-P667 VanDerWaalsContact OE1-CA 3.26Å; Q579-C668 PolarHBondContact NE2-O 3.41Å; Q579-A673 PolarHBondContact NE2-O 2.89Å
580Y92.3Very high95.2Very high62 Ų6224.9 Ų24.924%0.24312%0.122CC..  trans-131.263.2-177.8-65.1-85.5000111.9L576 L577 N582 S583 C665 W666L576-Y580 HydrophobicContact CD2-CD2 4.49Å; L576-Y580 WeakPolarHBondContact O-CB 3.34Å; L576-Y580 PolarHBondContact O-N 2.76Å; L577-Y580 CarbonylContact O-C 3.48Å; L577-Y580 VanDerWaalsContact O-C 3.3Å; L577-Y580 PolarHBondContact O-N 3.5Å; Y580-N582 PolarHBondContact O-N 3.34Å; Y580-N582 VanDerWaalsContact O-N 3.1Å; Y580-S583 PolarHBondContact O-N 3.2Å; Y580-C665 HydrophobicContact CD1-CB 4.29Å; Y580-C665 HydrophobicContact CD2-CB 3.59Å; Y580-C665 HydrophobicContact CE1-CB 4.47Å; Y580-C665 HydrophobicContact CE2-CB 3.8Å; Y580-C665 HydrophobicContact CG-CB 3.86Å; Y580-W666 PolarHBondContact OH-N 2.67Å; Y580-W666 VanDerWaalsContact OH-N 3.16Å; Y580-W666 PolarHBondContact OH-O 3.35Å
581P89.7Confident95.2Very high67 Ų6724.9 Ų24.944%0.43512%0.122SC..THydrogen-bonded Turntrans-62.1-24.6-170.124.1-35000114.3L577 N641L577-P581 VanDerWaalsContact O-CA 3.25Å; L577-P581 WeakPolarHBondContact O-CA 3.46Å; L577-P581 VanDerWaalsContact O-N 3.17Å; P581-N641 PolarHBondContact O-ND2 3.24Å
582N89.4Confident95.1Very high83 Ų8326 Ų2644%0.44413%0.129SC..THydrogen-bonded Turntrans-92.7-7.6-179.1-59.4-6.7000113.1Y580 F643 S645Y580-N582 PolarHBondContact O-N 3.34Å; Y580-N582 VanDerWaalsContact O-N 3.1Å; N582-F643 WeakPolarHBondContact CB-O 3.49Å; N582-F643 WeakPolarHBondContact OD1-CB 3.49Å; N582-S645 PolarHBondContact O-N 3.03Å
583S91.7Very high94.9Very high17 Ų1727.1 Ų27.112%0.11914%0.135CC..SBendtrans-90.7-4.7-175.7-55.70000113.6R525 Y580R525-S583 VanDerWaalsContact CB-O 3.23Å; R525-S583 WeakPolarHBondContact CB-O 3.5Å; R525-S583 WeakPolarHBondContact CD-O 3.17Å; Y580-S583 PolarHBondContact O-N 3.2Å
584F94.7Very high94.9Very high0 Ų027.1 Ų27.10%014%0.135CC..  trans-116.3128.2179.8-70.7-96.2000110.5I518 R525 V573 L576 L577 F586 N641I518-F584 HydrophobicContact CG2-CE1 4.01Å; I518-F584 HydrophobicContact CG2-CZ 3.85Å; R525-F584 HydrophobicContact CB-CD1 3.72Å; R525-F584 HydrophobicContact CB-CE1 4.02Å; R525-F584 HydrophobicContact CB-CG 4.18Å; R525-F584 HydrophobicContact CG-CD1 4Å; R525-F584 HydrophobicContact CG-CE1 3.76Å; R525-F584 HydrophobicContact CG-CZ 4.11Å; V573-F584 HydrophobicContact CG1-CE1 4.02Å; L576-F584 HydrophobicContact CB-CE2 4.15Å; L576-F584 HydrophobicContact CB-CZ 3.89Å; L577-F584 HydrophobicContact CB-CD2 4.17Å; L577-F584 HydrophobicContact CB-CE2 4.36Å; L577-F584 HydrophobicContact CB-CG 4.38Å; L577-F584 HydrophobicContact CD1-CB 4.32Å; L577-F584 HydrophobicContact CD1-CG 4.44Å; L577-F584 HydrophobicContact CG-CB 4.33Å; L577-F584 HydrophobicContact CG-CD2 4.37Å; L577-F584 HydrophobicContact CG-CG 4.3Å; F584-F586 AromaticContact CD1-CE1 3.95Å; F584-F586 HydrophobicContact CD1-CE1 3.95Å; F584-F586 AromaticContact CD1-CE2 3.82Å; F584-F586 HydrophobicContact CD1-CE2 3.82Å; F584-F586 AromaticContact CD1-CZ 3.47Å; F584-F586 HydrophobicContact CD1-CZ 3.47Å; F584-F586 VanDerWaalsContact CD1-CZ 3.47Å; F584-F586 HydrophobicContact CE1-CE2 4.48Å; F584-F586 AromaticContact CE1-CZ 3.99Å; F584-F586 HydrophobicContact CE1-CZ 3.99Å; F584-F586 PolarHBondContact O-N 2.98Å; F584-N641 WeakPolarHBondContact O-CB 3.3Å; F584-N641 PolarHBondContact O-ND2 2.85Å
585E94.3Very high94.9Very high45 Ų4526.2 Ų26.221%0.2113%0.132CC..SBendtrans-71.4-23176.8-170.9-174.6-152.600111.5R525 T526 I527 Q640 N641 Y644R525-E585 PolarHBondContact O-N 3.39Å; T526-E585 VanDerWaalsContact CA-OE2 3.24Å; T526-E585 WeakPolarHBondContact CA-OE2 3.49Å; T526-E585 WeakPolarHBondContact CB-OE2 3.38Å; I527-E585 HydrophobicContact CD1-CG 4.4Å; I527-E585 HydrophobicContact CG1-CG 4.36Å; I527-E585 PolarHBondContact N-OE2 3.43Å; E585-Q640 CarbonylContact O-C 3.58Å; E585-Q640 WeakPolarHBondContact O-CA 3.48Å; E585-N641 WeakPolarHBondContact O-CB 3.49Å; E585-N641 PolarHBondContact O-N 3.24Å; E585-Y644 VanDerWaalsContact CA-CG 3.48Å; E585-Y644 HydrophobicContact CB-CD1 3.89Å; E585-Y644 HydrophobicContact CB-CD2 4.06Å; E585-Y644 HydrophobicContact CB-CE1 3.98Å; E585-Y644 HydrophobicContact CB-CE2 4.13Å; E585-Y644 HydrophobicContact CB-CG 3.93Å; E585-Y644 HydrophobicContact CG-CD1 3.81Å; E585-Y644 HydrophobicContact CG-CE1 4.03Å; E585-Y644 HydrophobicContact CG-CG 4.23Å; E585-Y644 VanDerWaalsContact N-CD2 3.31Å
586F96.2Very high94.8Very high0 Ų030.3 Ų30.30%015%0.15CC..BIsolated β-bridgetrans-105.3154.5-179.655.8-98.9000112.2R525 I527 F530 V573 L577 F584 L590 L591 L639R525-F586 WeakPolarHBondContact O-CD1 3.19Å; R525-F586 WeakPolarHBondContact O-CE1 3.33Å; I527-F586 HydrophobicContact CG1-CB 3.8Å; F530-F586 HydrophobicContact CB-CD1 4.39Å; F530-F586 HydrophobicContact CB-CE1 3.68Å; F530-F586 HydrophobicContact CB-CZ 4.29Å; F530-F586 HydrophobicContact CD1-CE1 4.36Å; F530-F586 HydrophobicContact CD1-CZ 4.25Å; F530-F586 HydrophobicContact CD2-CE1 4.05Å; F530-F586 AromaticContact CD2-CZ 3.83Å; F530-F586 HydrophobicContact CD2-CZ 3.83Å; F530-F586 HydrophobicContact CE2-CZ 4.18Å; F530-F586 AromaticContact CG-CE1 3.79Å; F530-F586 HydrophobicContact CG-CE1 3.79Å; F530-F586 AromaticContact CG-CZ 3.87Å; F530-F586 HydrophobicContact CG-CZ 3.87Å; V573-F586 HydrophobicContact CG1-CE2 4.36Å; V573-F586 HydrophobicContact CG1-CZ 4.3Å; L577-F586 HydrophobicContact CD1-CD2 4.02Å; L577-F586 HydrophobicContact CD1-CE2 4.03Å; L577-F586 WeakPolarHBondContact CD1-O 3.38Å; F584-F586 AromaticContact CD1-CE1 3.95Å; F584-F586 HydrophobicContact CD1-CE1 3.95Å; F584-F586 AromaticContact CD1-CE2 3.82Å; F584-F586 HydrophobicContact CD1-CE2 3.82Å; F584-F586 AromaticContact CD1-CZ 3.47Å; F584-F586 HydrophobicContact CD1-CZ 3.47Å; F584-F586 VanDerWaalsContact CD1-CZ 3.47Å; F584-F586 HydrophobicContact CE1-CE2 4.48Å; F584-F586 AromaticContact CE1-CZ 3.99Å; F584-F586 HydrophobicContact CE1-CZ 3.99Å; F584-F586 PolarHBondContact O-N 2.98Å; F586-L590 HydrophobicContact CB-CB 4Å; F586-L590 HydrophobicContact CB-CD2 3.55Å; F586-L590 HydrophobicContact CB-CG 4.41Å; F586-L590 HydrophobicContact CD1-CD2 3.62Å; F586-L590 HydrophobicContact CD2-CB 4.2Å; F586-L590 HydrophobicContact CD2-CD2 3.85Å; F586-L590 HydrophobicContact CE1-CD2 4.21Å; F586-L590 HydrophobicContact CE2-CD2 4.4Å; F586-L590 HydrophobicContact CG-CB 4.28Å; F586-L590 HydrophobicContact CG-CD2 3.4Å; F586-L590 HydrophobicContact CG-CG 4.42Å; F586-L591 HydrophobicContact CE2-CD1 4.48Å; F586-L591 HydrophobicContact CE2-CD2 3.8Å; F586-L591 HydrophobicContact CE2-CG 4.12Å; F586-L591 HydrophobicContact CZ-CD2 4.41Å; F586-L639 CarbonylContact C-O 3.59Å; F586-L639 WeakPolarHBondContact CA-O 3.31Å
587T94.4Very high94.8Very high15 Ų1530.9 Ų30.99%0.09215%0.153CC..  trans-85168.4166.763.60000111.1E589 L590 L639 N641T587-E589 PolarHBondContact O-N 2.77Å; T587-E589 VanDerWaalsContact O-N 3.09Å; T587-E589 WeakPolarHBondContact OG1-CB 3.44Å; T587-L590 PolarHBondContact O-N 3.32Å; T587-L590 VanDerWaalsContact O-N 3.14Å; T587-L639 PolarHBondContact N-O 2.89Å; T587-L639 PolarHBondContact OG1-O 3Å; T587-N641 HydrophobicContact CG2-CB 4.12Å
588D94.4Very high94.9Very high31 Ų3130.2 Ų30.217%0.16615%0.15CC..Hα-helixtrans-59.9-15.3173.760.7-34000114.1L590 L591 C592 R697D588-L590 VanDerWaalsContact C-N 3.27Å; D588-L590 PolarHBondContact O-N 3.11Å; D588-L591 WeakPolarHBondContact O-CB 3.26Å; D588-L591 PolarHBondContact O-N 2.86Å; D588-C592 PolarHBondContact O-N 2.87Å; D588-R697 IonicContact OD1-CZ 3.29Å; D588-R697 IonicContact OD1-NE 2.76Å; D588-R697 PolarHBondContact OD1-NE 2.91Å; D588-R697 IonicContact OD1-NH2 3.92Å; D588-R697 PolarHBondContact OD1-NH2 2.78Å; D588-R697 IonicContact OD2-NH2 3.62Å; D588-R697 PolarHBondContact OD2-NH2 2.9Å; D588-R697 VanDerWaalsContact OD2-NH2 3.08Å
589E94.7Very high94.9Very high14 Ų1426.2 Ų26.27%0.06514%0.135CC..Hα-helixtrans-57.7-39.5171.8-162.8-174.8148.200111.9T587 L591 C592 I593 R638 L639T587-E589 PolarHBondContact O-N 2.77Å; T587-E589 VanDerWaalsContact O-N 3.09Å; T587-E589 WeakPolarHBondContact OG1-CB 3.44Å; E589-L591 VanDerWaalsContact C-N 3.26Å; E589-L591 PolarHBondContact O-N 3.2Å; E589-C592 WeakPolarHBondContact O-CB 2.92Å; E589-C592 PolarHBondContact O-N 3.33Å; E589-I593 HydrophobicContact CG-CD1 4.49Å; E589-I593 WeakPolarHBondContact O-CG1 3.34Å; E589-I593 PolarHBondContact O-N 3.23Å; E589-R638 VanDerWaalsContact OE1-CD 3.26Å; E589-R638 WeakPolarHBondContact OE1-CD 3.47Å; E589-R638 IonicContact OE1-CZ 2.82Å; E589-R638 IonicContact OE1-NE 3.46Å; E589-R638 PolarHBondContact OE1-NE 2.88Å; E589-R638 IonicContact OE1-NH1 3.97Å; E589-R638 PolarHBondContact OE1-NH1 2.89Å; E589-R638 IonicContact OE1-NH2 3.99Å; E589-R638 PolarHBondContact OE1-NH2 2.83Å; E589-R638 IonicContact OE2-CZ 3.71Å; E589-R638 IonicContact OE2-NE 3.84Å; E589-R638 PolarHBondContact OE2-NE 3.03Å; E589-R638 IonicContact OE2-NH2 3.72Å; E589-L639 HydrophobicContact CB-CD2 3.78Å; E589-L639 HydrophobicContact CG-CD2 3.82Å
590L97.4Very high95Very high0 Ų024.3 Ų24.30%013%0.126CC..Hα-helixtrans-60.4-41.2176.5174.865.1000110.5F530 F586 T587 D588 I593 I594 I630 L639F530-L590 HydrophobicContact CD1-CD2 4.03Å; F586-L590 HydrophobicContact CB-CB 4Å; F586-L590 HydrophobicContact CB-CD2 3.55Å; F586-L590 HydrophobicContact CB-CG 4.41Å; F586-L590 HydrophobicContact CD1-CD2 3.62Å; F586-L590 HydrophobicContact CD2-CB 4.2Å; F586-L590 HydrophobicContact CD2-CD2 3.85Å; F586-L590 HydrophobicContact CE1-CD2 4.21Å; F586-L590 HydrophobicContact CE2-CD2 4.4Å; F586-L590 HydrophobicContact CG-CB 4.28Å; F586-L590 HydrophobicContact CG-CD2 3.4Å; F586-L590 HydrophobicContact CG-CG 4.42Å; T587-L590 PolarHBondContact O-N 3.32Å; T587-L590 VanDerWaalsContact O-N 3.14Å; D588-L590 VanDerWaalsContact C-N 3.27Å; D588-L590 PolarHBondContact O-N 3.11Å; L590-I593 PolarHBondContact O-N 2.96Å; L590-I594 HydrophobicContact CD1-CD1 3.78Å; L590-I594 HydrophobicContact CD1-CG1 4.27Å; L590-I594 HydrophobicContact CD2-CD1 4.47Å; L590-I594 HydrophobicContact CG-CD1 3.84Å; L590-I594 WeakPolarHBondContact O-CB 3.21Å; L590-I594 WeakPolarHBondContact O-CG1 3.25Å; L590-I594 PolarHBondContact O-N 3.43Å; L590-I630 HydrophobicContact CD1-CD1 3.78Å; L590-I630 HydrophobicContact CD1-CG2 4.08Å; L590-L639 HydrophobicContact CB-CD1 4.47Å; L590-L639 HydrophobicContact CB-CD2 4.32Å; L590-L639 HydrophobicContact CD1-CD1 3.93Å
591L98.2Very high95Very high0 Ų022 Ų220%012%0.119CC..Hα-helixtrans-67.2-40.8179.5-53.7177.2000110.8F530 L570 V573 W574 L577 F586 D588 E589 I594 A595 W677F530-L591 HydrophobicContact CE1-CD2 3.68Å; F530-L591 HydrophobicContact CZ-CD2 3.62Å; L570-L591 HydrophobicContact CD2-CD2 4.04Å; V573-L591 HydrophobicContact CB-CD1 4.43Å; V573-L591 HydrophobicContact CB-CD2 4.41Å; V573-L591 HydrophobicContact CG1-CD1 4.06Å; V573-L591 HydrophobicContact CG1-CD2 3.87Å; W574-L591 HydrophobicContact CB-CD1 3.91Å; L577-L591 HydrophobicContact CD1-CD1 4.44Å; F586-L591 HydrophobicContact CE2-CD1 4.48Å; F586-L591 HydrophobicContact CE2-CD2 3.8Å; F586-L591 HydrophobicContact CE2-CG 4.12Å; F586-L591 HydrophobicContact CZ-CD2 4.41Å; D588-L591 WeakPolarHBondContact O-CB 3.26Å; D588-L591 PolarHBondContact O-N 2.86Å; E589-L591 VanDerWaalsContact C-N 3.26Å; E589-L591 PolarHBondContact O-N 3.2Å; L591-I594 PolarHBondContact O-N 2.84Å; L591-A595 VanDerWaalsContact O-CB 3.3Å; L591-A595 WeakPolarHBondContact O-CB 3.13Å; L591-A595 PolarHBondContact O-N 2.93Å; L591-W677 HydrophobicContact CB-CH2 3.41Å; L591-W677 VanDerWaalsContact CB-CH2 3.41Å; L591-W677 HydrophobicContact CB-CZ2 3.71Å; L591-W677 HydrophobicContact CB-CZ3 4.49Å; L591-W677 HydrophobicContact CD1-CH2 4.39Å
592C95.5Very high95.1Very high23 Ų2320.8 Ų20.816%0.15511%0.108CC..Hα-helixtrans-60-46.5173.4-72.20000112.1D588 E589 A595 K596 W677D588-C592 PolarHBondContact O-N 2.87Å; E589-C592 WeakPolarHBondContact O-CB 2.92Å; E589-C592 PolarHBondContact O-N 3.33Å; C592-A595 PolarHBondContact O-N 3.22Å; C592-K596 WeakPolarHBondContact O-CB 3.16Å; C592-K596 PolarHBondContact O-N 3.4Å; C592-W677 VanDerWaalsContact SG-CZ2 3.6Å
593I96.1Very high95.3Very high24 Ų2417.5 Ų17.512%0.1239%0.089CC..Hα-helixtrans-58.4-51.8176.1-70.9175.6000109.8E589 L590 A595 K596 H597 L626 I630 L639E589-I593 HydrophobicContact CG-CD1 4.49Å; E589-I593 WeakPolarHBondContact O-CG1 3.34Å; E589-I593 PolarHBondContact O-N 3.23Å; L590-I593 PolarHBondContact O-N 2.96Å; I593-A595 VanDerWaalsContact C-N 3.35Å; I593-A595 PolarHBondContact O-N 3.5Å; I593-K596 WeakPolarHBondContact O-CB 3.32Å; I593-K596 PolarHBondContact O-N 3.46Å; I593-H597 PolarHBondContact O-CD2 2.76Å; I593-H597 PolarHBondContact O-N 3.05Å; I593-L626 HydrophobicContact CG2-CD1 4.38Å; I593-I630 HydrophobicContact CG2-CD1 4.28Å; I593-L639 HydrophobicContact CD1-CD1 4.34Å; I593-L639 HydrophobicContact CD1-CD2 3.76Å
594I98.1Very high95.3Very high0 Ų016.7 Ų16.70%08%0.084CC..Hα-helixtrans-62-41.9-178.8-71.4169.4000111.5F530 I534 F566 L570 L590 L591 K596 H597 A598 F606 W627 I630F530-I594 HydrophobicContact CD1-CD1 3.76Å; F530-I594 HydrophobicContact CE1-CD1 3.59Å; I534-I594 HydrophobicContact CD1-CD1 3.86Å; I534-I594 HydrophobicContact CD1-CG2 4.08Å; F566-I594 HydrophobicContact CE1-CG2 3.53Å; F566-I594 HydrophobicContact CZ-CG2 3.58Å; L570-I594 HydrophobicContact CD1-CG2 4.04Å; L570-I594 HydrophobicContact CD2-CG2 4.08Å; L590-I594 HydrophobicContact CD1-CD1 3.78Å; L590-I594 HydrophobicContact CD1-CG1 4.27Å; L590-I594 HydrophobicContact CD2-CD1 4.47Å; L590-I594 HydrophobicContact CG-CD1 3.84Å; L590-I594 WeakPolarHBondContact O-CB 3.21Å; L590-I594 WeakPolarHBondContact O-CG1 3.25Å; L590-I594 PolarHBondContact O-N 3.43Å; L591-I594 PolarHBondContact O-N 2.84Å; I594-K596 PolarHBondContact O-N 3.4Å; I594-H597 PolarHBondContact O-N 3.05Å; I594-A598 WeakPolarHBondContact O-CB 3.44Å; I594-A598 PolarHBondContact O-N 3.26Å; I594-F606 HydrophobicContact CG2-CZ 4.06Å; I594-W627 HydrophobicContact CD1-CZ3 4.39Å; I594-W627 HydrophobicContact CG1-CZ3 4.31Å; I594-I630 HydrophobicContact CG1-CD1 4.43Å
595A97.9Very high95.3Very high3 Ų317.1 Ų17.13%0.0259%0.086CC..Hα-helixtrans-58.5-46.5176.700000111.8I567 L570 L591 C592 I593 A598 L680I567-A595 HydrophobicContact CD1-CB 3.79Å; L570-A595 HydrophobicContact CD1-CB 3.67Å; L591-A595 VanDerWaalsContact O-CB 3.3Å; L591-A595 WeakPolarHBondContact O-CB 3.13Å; L591-A595 PolarHBondContact O-N 2.93Å; C592-A595 PolarHBondContact O-N 3.22Å; I593-A595 VanDerWaalsContact C-N 3.35Å; I593-A595 PolarHBondContact O-N 3.5Å; A595-A598 PolarHBondContact O-N 3.03Å; A595-L680 HydrophobicContact CB-CD1 3.97Å
596K95.9Very high95.4Very high86 Ų8615.4 Ų15.437%0.3748%0.078SC..Hα-helixtrans-59.5-55.9176.1177.5-174.7173-170.90111.1C592 I593 I594 A598 Y599 F600C592-K596 WeakPolarHBondContact O-CB 3.16Å; C592-K596 PolarHBondContact O-N 3.4Å; I593-K596 WeakPolarHBondContact O-CB 3.32Å; I593-K596 PolarHBondContact O-N 3.46Å; I594-K596 PolarHBondContact O-N 3.4Å; K596-A598 PolarHBondContact O-N 2.97Å; K596-Y599 PolarHBondContact O-N 3.14Å; K596-F600 HydrophobicContact CD-CE2 4.22Å; K596-F600 HydrophobicContact CD-CZ 4.39Å; K596-F600 HydrophobicContact CG-CD2 4.33Å; K596-F600 HydrophobicContact CG-CE1 4.2Å; K596-F600 HydrophobicContact CG-CE2 3.68Å; K596-F600 HydrophobicContact CG-CZ 3.61Å; K596-F600 PolarHBondContact O-N 2.89Å; K596-F600 VanDerWaalsContact O-O 3.06Å
597H96.7Very high95.3Very high12 Ų1216.4 Ų16.46%0.0568%0.083CC..Hα-helixtrans-68.7-17.2-175.1-74.2-80000113.6I593 I594 Y599 S601 E602 Y603 F606 L626I593-H597 PolarHBondContact O-CD2 2.76Å; I593-H597 PolarHBondContact O-N 3.05Å; I594-H597 PolarHBondContact O-N 3.05Å; H597-Y599 VanDerWaalsContact C-N 3.32Å; H597-S601 PolarHBondContact ND1-OG 3.32Å; H597-S601 VanDerWaalsContact O-CB 3.28Å; H597-S601 WeakPolarHBondContact O-CB 3.21Å; H597-E602 IonicContact CE1-OE2 2.91Å; H597-E602 PolarHBondContact CE1-OE2 3.4Å; H597-E602 IonicContact ND1-OE2 3.66Å; H597-Y603 AromaticContact CE1-CD2 3.55Å; H597-Y603 AromaticContact CE1-CE2 3.44Å; H597-Y603 VanDerWaalsContact CE1-CE2 3.44Å; H597-Y603 WeakPolarHBondContact CE1-CE2 3.34Å; H597-Y603 AromaticContact ND1-CD2 3.51Å; H597-Y603 AromaticContact ND1-CE2 3.91Å; H597-F606 HydrophobicContact CB-CD2 4.5Å; H597-F606 HydrophobicContact CB-CE2 4.45Å; H597-F606 WeakPolarHBondContact O-CD2 3.36Å; H597-L626 HydrophobicContact CB-CD1 4.28Å; H597-L626 HydrophobicContact CB-CD2 3.74Å
598A97.1Very high95.3Very high7 Ų715.7 Ų15.76%0.0588%0.079CC..Hα-helixtrans-69.8-27.2170.900000113.5C549 F566 I594 A595 K596 F606C549-A598 VanDerWaalsContact CB-O 3.31Å; C549-A598 WeakPolarHBondContact CB-O 3.3Å; F566-A598 HydrophobicContact CD1-CB 3.56Å; F566-A598 HydrophobicContact CE1-CB 3.64Å; I594-A598 WeakPolarHBondContact O-CB 3.44Å; I594-A598 PolarHBondContact O-N 3.26Å; A595-A598 PolarHBondContact O-N 3.03Å; K596-A598 PolarHBondContact O-N 2.97Å; A598-F606 HydrophobicContact CB-CD2 4.3Å; A598-F606 HydrophobicContact CB-CE2 4.46Å; A598-F606 HydrophobicContact CB-CG 4.33Å
599Y95.7Very high95.4Very high13 Ų1315.5 Ų15.55%0.0518%0.078CC..Hα-helixtrans-102.6-40.6-177.9-81.8-95.6000113.5K73 C549 I567 K596 H597K73-Y599 HydrophobicContact CB-CD1 4.49Å; K73-Y599 HydrophobicContact CD-CD1 4.14Å; C549-Y599 HydrophobicContact CB-CD1 3.82Å; C549-Y599 HydrophobicContact CB-CD2 4.39Å; C549-Y599 HydrophobicContact CB-CE1 3.97Å; C549-Y599 HydrophobicContact CB-CE2 4.49Å; C549-Y599 HydrophobicContact CB-CG 4.07Å; I567-Y599 HydrophobicContact CD1-CD2 4.45Å; I567-Y599 HydrophobicContact CD1-CE2 3.8Å; I567-Y599 HydrophobicContact CG1-CE2 3.63Å; K596-Y599 PolarHBondContact O-N 3.14Å; H597-Y599 VanDerWaalsContact C-N 3.32Å
600F93.7Very high95.4Very high9 Ų915.4 Ų15.44%0.0398%0.079CC..SBendtrans-150.9120.8179.861.1-85.5000109.3M40 R42 A43 K73 D74 K596M40-F600 HydrophobicContact CE-CD2 3.6Å; M40-F600 HydrophobicContact CE-CE2 4.1Å; R42-F600 HydrophobicContact CB-CB 4.08Å; R42-F600 HydrophobicContact CG-CB 3.9Å; A43-F600 HydrophobicContact CB-CB 4.24Å; A43-F600 HydrophobicContact CB-CD1 4.1Å; A43-F600 HydrophobicContact CB-CD2 3.53Å; A43-F600 HydrophobicContact CB-CE1 4.3Å; A43-F600 HydrophobicContact CB-CE2 3.74Å; A43-F600 HydrophobicContact CB-CG 3.69Å; A43-F600 HydrophobicContact CB-CZ 4.11Å; K73-F600 HydrophobicContact CB-CD1 3.74Å; K73-F600 HydrophobicContact CB-CE1 3.86Å; K73-F600 HydrophobicContact CD-CD1 4.33Å; D74-F600 HydrophobicContact CB-CE1 3.91Å; D74-F600 HydrophobicContact CB-CZ 3.74Å; K596-F600 HydrophobicContact CD-CE2 4.22Å; K596-F600 HydrophobicContact CD-CZ 4.39Å; K596-F600 HydrophobicContact CG-CD2 4.33Å; K596-F600 HydrophobicContact CG-CE1 4.2Å; K596-F600 HydrophobicContact CG-CE2 3.68Å; K596-F600 HydrophobicContact CG-CZ 3.61Å; K596-F600 PolarHBondContact O-N 2.89Å; K596-F600 VanDerWaalsContact O-O 3.06Å
601S92.8Very high95.3Very high12 Ų1216.4 Ų16.48%0.0848%0.084CC..  trans-143.1152.5-166.7-1710000110.6P109 H597 Y603P109-S601 WeakPolarHBondContact CD-O 3.44Å; P109-S601 VanDerWaalsContact CG-O 3.25Å; P109-S601 WeakPolarHBondContact CG-O 3.44Å; H597-S601 PolarHBondContact ND1-OG 3.32Å; H597-S601 VanDerWaalsContact O-CB 3.28Å; H597-S601 WeakPolarHBondContact O-CB 3.21Å; S601-Y603 VanDerWaalsContact C-N 3.3Å; S601-Y603 WeakPolarHBondContact CB-O 3.31Å; S601-Y603 WeakPolarHBondContact OG-CA 3.37Å; S601-Y603 WeakPolarHBondContact OG-CB 3.2Å; S601-Y603 PolarHBondContact OG-N 3.39Å; S601-Y603 PolarHBondContact OG-O 2.95Å
602E91.5Very high95.2Very high43 Ų4318.8 Ų18.820%0.20110%0.095CC..SBendtrans-79.5-13.9160.2-58.3101.9151.700112.8M40 Y108 P109 Y112 H597M40-E602 HydrophobicContact SD-CG 4.38Å; Y108-E602 HydrophobicContact CD1-CB 4.35Å; Y108-E602 HydrophobicContact CD1-CG 3.82Å; Y108-E602 HydrophobicContact CE1-CB 4.16Å; Y108-E602 HydrophobicContact CE1-CG 3.37Å; P109-E602 WeakPolarHBondContact CA-O 3.28Å; Y112-E602 WeakPolarHBondContact CB-O 3.39Å; Y112-E602 HydrophobicContact CD1-CB 3.95Å; Y112-E602 VanDerWaalsContact CD1-O 3.3Å; Y112-E602 WeakPolarHBondContact CD1-O 3.34Å; Y112-E602 HydrophobicContact CD2-CB 3.75Å; Y112-E602 HydrophobicContact CD2-CG 4.09Å; Y112-E602 HydrophobicContact CE1-CB 4.07Å; Y112-E602 HydrophobicContact CE2-CB 3.86Å; Y112-E602 HydrophobicContact CE2-CG 4.06Å; Y112-E602 HydrophobicContact CG-CB 3.79Å; H597-E602 IonicContact CE1-OE2 2.91Å; H597-E602 PolarHBondContact CE1-OE2 3.4Å; H597-E602 IonicContact ND1-OE2 3.66Å
603Y93.5Very high95.2Very high13 Ų1320 Ų205%0.05110%0.099CC..SBendtrans-106.3152.2-174.7-52.1-71.9000112.6Y112 H597 S601 I624 L626 Y629Y112-Y603 HydrophobicContact CE1-CD1 4.3Å; Y112-Y603 AromaticContact CE1-CE1 3.81Å; Y112-Y603 HydrophobicContact CE1-CE1 3.81Å; H597-Y603 AromaticContact CE1-CD2 3.55Å; H597-Y603 AromaticContact CE1-CE2 3.44Å; H597-Y603 VanDerWaalsContact CE1-CE2 3.44Å; H597-Y603 WeakPolarHBondContact CE1-CE2 3.34Å; H597-Y603 AromaticContact ND1-CD2 3.51Å; H597-Y603 AromaticContact ND1-CE2 3.91Å; S601-Y603 VanDerWaalsContact C-N 3.3Å; S601-Y603 WeakPolarHBondContact CB-O 3.31Å; S601-Y603 WeakPolarHBondContact OG-CA 3.37Å; S601-Y603 WeakPolarHBondContact OG-CB 3.2Å; S601-Y603 PolarHBondContact OG-N 3.39Å; S601-Y603 PolarHBondContact OG-O 2.95Å; Y603-I624 CarbonylContact C-O 3.3Å; Y603-I624 VanDerWaalsContact CA-O 3.32Å; Y603-I624 WeakPolarHBondContact CA-O 3.37Å; Y603-I624 VanDerWaalsContact CB-O 3.29Å; Y603-I624 WeakPolarHBondContact CB-O 3.4Å; Y603-I624 HydrophobicContact CD1-CB 4.09Å; Y603-I624 HydrophobicContact CD1-CG2 3.86Å; Y603-I624 HydrophobicContact CE1-CG2 4.06Å; Y603-L626 HydrophobicContact CD2-CB 3.98Å; Y603-L626 HydrophobicContact CD2-CD1 3.46Å; Y603-L626 VanDerWaalsContact CD2-CD1 3.46Å; Y603-L626 HydrophobicContact CD2-CG 4.32Å; Y603-L626 HydrophobicContact CE2-CD1 3.68Å; Y603-L626 HydrophobicContact CG-CB 4.02Å; Y603-L626 HydrophobicContact CG-CD1 4.32Å; Y603-Y629 HydrophobicContact CE2-CD1 4.17Å; Y603-Y629 HydrophobicContact CE2-CG 4.18Å; Y603-Y629 VanDerWaalsContact CZ-CB 3.49Å; Y603-Y629 AromaticContact CZ-CG 3.74Å; Y603-Y629 VanDerWaalsContact OH-CB 3.3Å; Y603-Y629 WeakPolarHBondContact OH-CB 3.35Å; Y603-Y629 VanDerWaalsContact OH-CD2 3.29Å; Y603-Y629 WeakPolarHBondContact OH-CD2 3.35Å
604G92.8Very high95.2Very high1 Ų120.3 Ų20.31%0.0110%0.098CC..SBendtrans-86.2-2.5-177.900000115.9F606 L607 I619 T623 I624G604-F606 VanDerWaalsContact C-N 3.25Å; G604-F606 PolarHBondContact O-N 2.77Å; G604-F606 VanDerWaalsContact O-N 3.09Å; G604-L607 WeakPolarHBondContact O-CB 3.38Å; G604-L607 PolarHBondContact O-N 3.25Å; G604-I619 WeakPolarHBondContact O-CG2 3.48Å; G604-T623 WeakPolarHBondContact CA-OG1 3.29Å; G604-I624 PolarHBondContact N-O 3.18Å
605T94.3Very high95Very high9 Ų924.8 Ų24.86%0.05512%0.119CC..THydrogen-bonded Turntrans-53.4-35.4-172.8-59.20000114.3L539 R614 S625 L626 W627L539-T605 HydrophobicContact CD1-CG2 4.24Å; T605-R614 PolarHBondContact O-NH1 2.86Å; T605-R614 PolarHBondContact O-NH2 2.94Å; T605-S625 WeakPolarHBondContact OG1-CA 3.45Å; T605-S625 PolarHBondContact OG1-OG 3.38Å; T605-L626 HydrophobicContact CG2-CB 4.49Å; T605-L626 WeakPolarHBondContact OG1-CB 3.45Å; T605-L626 PolarHBondContact OG1-N 3.01Å; T605-W627 HydrophobicContact CG2-CD2 4.31Å; T605-W627 HydrophobicContact CG2-CH2 4.31Å; T605-W627 HydrophobicContact CG2-CZ2 3.57Å
606F95.9Very high94.8Very high9 Ų931.1 Ų31.14%0.03915%0.149CC..THydrogen-bonded Turntrans-102.89.5-178.5-63.6-70.8000114.2I534 L539 F545 F566 I594 H597 A598 G604 L626 W627I534-F606 HydrophobicContact CG2-CE1 3.81Å; I534-F606 HydrophobicContact CG2-CZ 4.17Å; L539-F606 HydrophobicContact CD2-CD1 4.3Å; F545-F606 VanDerWaalsContact CB-O 3.23Å; F545-F606 WeakPolarHBondContact CB-O 3.3Å; F545-F606 HydrophobicContact CD1-CB 4.24Å; F545-F606 AromaticContact CD1-CD1 3.69Å; F545-F606 HydrophobicContact CD1-CD1 3.69Å; F545-F606 HydrophobicContact CD1-CG 4.32Å; F545-F606 HydrophobicContact CD2-CD1 4.32Å; F545-F606 AromaticContact CE1-CD1 3.42Å; F545-F606 HydrophobicContact CE1-CD1 3.42Å; F545-F606 VanDerWaalsContact CE1-CD1 3.42Å; F545-F606 AromaticContact CE1-CE1 3.8Å; F545-F606 HydrophobicContact CE1-CE1 3.8Å; F545-F606 HydrophobicContact CE1-CG 4.38Å; F545-F606 HydrophobicContact CE2-CD1 4.12Å; F545-F606 HydrophobicContact CG-CB 4.42Å; F545-F606 HydrophobicContact CG-CD1 4.14Å; F545-F606 AromaticContact CZ-CD1 3.66Å; F545-F606 HydrophobicContact CZ-CD1 3.66Å; F545-F606 AromaticContact CZ-CE1 3.81Å; F545-F606 HydrophobicContact CZ-CE1 3.81Å; F566-F606 HydrophobicContact CE1-CE1 4.1Å; F566-F606 HydrophobicContact CE1-CZ 4.18Å; F566-F606 AromaticContact CZ-CE1 3.92Å; F566-F606 HydrophobicContact CZ-CE1 3.92Å; F566-F606 HydrophobicContact CZ-CZ 4.11Å; I594-F606 HydrophobicContact CG2-CZ 4.06Å; H597-F606 HydrophobicContact CB-CD2 4.5Å; H597-F606 HydrophobicContact CB-CE2 4.45Å; H597-F606 WeakPolarHBondContact O-CD2 3.36Å; A598-F606 HydrophobicContact CB-CD2 4.3Å; A598-F606 HydrophobicContact CB-CE2 4.46Å; A598-F606 HydrophobicContact CB-CG 4.33Å; G604-F606 VanDerWaalsContact C-N 3.25Å; G604-F606 PolarHBondContact O-N 2.77Å; G604-F606 VanDerWaalsContact O-N 3.09Å; F606-L626 HydrophobicContact CE2-CD2 3.7Å; F606-W627 HydrophobicContact CE2-CH2 4.5Å; F606-W627 AromaticContact CZ-CH2 3.98Å; F606-W627 HydrophobicContact CZ-CH2 3.98Å; F606-W627 HydrophobicContact CZ-CZ2 4.42Å
607L94.1Very high94.7Very high20 Ų2028.8 Ų28.811%0.10514%0.14CC..  trans-80.2146177.2-66.2-176.5000112.3L107 P109 F110 G604 R614 I619L107-L607 HydrophobicContact CD1-CD2 4.13Å; P109-L607 HydrophobicContact CB-CD1 3.83Å; P109-L607 HydrophobicContact CG-CD1 4Å; F110-L607 HydrophobicContact CD2-CD1 4.35Å; F110-L607 HydrophobicContact CE2-CD1 3.72Å; F110-L607 HydrophobicContact CZ-CD1 4.36Å; G604-L607 WeakPolarHBondContact O-CB 3.38Å; G604-L607 PolarHBondContact O-N 3.25Å; L607-R614 WeakPolarHBondContact O-CG 3.41Å; L607-R614 PolarHBondContact O-NE 3.19Å; L607-R614 PolarHBondContact O-NH2 2.88Å; L607-I619 HydrophobicContact CB-CD1 3.67Å
608G94.6Very high94.6Very high0 Ų031.1 Ų31.10%015%0.153CC..SBendtrans82157.2-17600000114S546S546-G608 VanDerWaalsContact OG-CA 3.31Å; S546-G608 WeakPolarHBondContact OG-CA 3.33Å; S546-G608 PolarHBondContact OG-N 3.06Å
609N96.5Very high94.4Very high27 Ų2731.1 Ų31.114%0.14415%0.152CC..SBendtrans-97.9-11.3179.2-66.9-47.8000113.9P544 F545 S546 D547 E613P544-N609 VanDerWaalsContact CA-OD1 3.26Å; P544-N609 WeakPolarHBondContact CA-OD1 3.45Å; P544-N609 HydrophobicContact CB-CB 3.82Å; P544-N609 WeakPolarHBondContact CB-OD1 3.39Å; P544-N609 PolarHBondContact O-OD1 3.39Å; F545-N609 PolarHBondContact N-OD1 3.37Å; S546-N609 WeakPolarHBondContact CA-OD1 3.29Å; S546-N609 WeakPolarHBondContact CB-OD1 3.45Å; S546-N609 PolarHBondContact N-OD1 2.83Å; D547-N609 VanDerWaalsContact CG-ND2 3.25Å; D547-N609 PolarHBondContact N-OD1 2.93Å; D547-N609 PolarHBondContact OD1-ND2 3.26Å; D547-N609 VanDerWaalsContact OD1-ND2 3.08Å; D547-N609 PolarHBondContact OD2-ND2 3.45Å; N609-E613 WeakPolarHBondContact CA-OE2 3.29Å; N609-E613 WeakPolarHBondContact CB-OE2 3.16Å; N609-E613 PolarHBondContact N-OE2 3.15Å
610S95.8Very high94.1Very high13 Ų1335.7 Ų35.79%0.09119%0.185CC..SBendtrans-155.1165.8-179.362.80000111.5Q612 E613 R614S610-Q612 VanDerWaalsContact C-N 3.32Å; S610-E613 PolarHBondContact O-N 3.08Å; S610-E613 WeakPolarHBondContact OG-CB 3.28Å; S610-E613 PolarHBondContact OG-N 3.23Å; S610-R614 WeakPolarHBondContact O-CD 3.46Å; S610-R614 WeakPolarHBondContact O-CG 3.49Å; S610-R614 PolarHBondContact O-N 3.04Å
611L93.9Very high93.9Very high20 Ų2039 Ų3911%0.10521%0.21CC..Hα-helixtrans-62.2-38.3172.1-72.3176000112.7Y150 P157 N540 E613 R614 E615Y150-L611 HydrophobicContact CE1-CB 4.16Å; P157-L611 HydrophobicContact CB-CD1 3.65Å; N540-L611 HydrophobicContact CB-CD1 4.09Å; L611-E613 PolarHBondContact O-N 2.91Å; L611-R614 PolarHBondContact O-N 3.35Å; L611-E615 PolarHBondContact O-N 3.1Å
612Q96.8Very high93.8Very high51 Ų5144.1 Ų44.124%0.23823%0.23CC..Hα-helixtrans-57.8-49.8175.2-175.2-176.736.400111.4Y150 N154 S610 R614 E615 Q616Y150-Q612 HydrophobicContact CD1-CB 3.81Å; Y150-Q612 HydrophobicContact CD1-CG 4.46Å; Y150-Q612 HydrophobicContact CD2-CB 3.72Å; Y150-Q612 HydrophobicContact CD2-CG 3.58Å; Y150-Q612 HydrophobicContact CE1-CB 4Å; Y150-Q612 HydrophobicContact CE2-CB 3.9Å; Y150-Q612 HydrophobicContact CE2-CG 4.05Å; Y150-Q612 HydrophobicContact CG-CB 3.66Å; Y150-Q612 HydrophobicContact CG-CG 3.81Å; N154-Q612 VanDerWaalsContact CB-OE1 3.26Å; S610-Q612 VanDerWaalsContact C-N 3.32Å; Q612-R614 VanDerWaalsContact C-N 3.3Å; Q612-R614 PolarHBondContact O-N 2.71Å; Q612-E615 PolarHBondContact O-N 3.31Å; Q612-Q616 VanDerWaalsContact O-CG 3.32Å; Q612-Q616 WeakPolarHBondContact O-CG 3.4Å; Q612-Q616 PolarHBondContact O-N 3.44Å
613E96Very high93.9Very high48 Ų4842.9 Ų42.922%0.22423%0.226CC..Hα-helixtrans-64-37.8179.1-173.6-176.917000111.5N609 S610 L611 E615 Q616 L617N609-E613 WeakPolarHBondContact CA-OE2 3.29Å; N609-E613 WeakPolarHBondContact CB-OE2 3.16Å; N609-E613 PolarHBondContact N-OE2 3.15Å; S610-E613 PolarHBondContact O-N 3.08Å; S610-E613 WeakPolarHBondContact OG-CB 3.28Å; S610-E613 PolarHBondContact OG-N 3.23Å; L611-E613 PolarHBondContact O-N 2.91Å; E613-E615 VanDerWaalsContact C-N 3.34Å; E613-E615 PolarHBondContact O-N 3.29Å; E613-Q616 PolarHBondContact O-N 3.28Å; E613-L617 HydrophobicContact CG-CD1 4.05Å; E613-L617 WeakPolarHBondContact O-CB 3.43Å; E613-L617 WeakPolarHBondContact O-CG 3.49Å; E613-L617 PolarHBondContact O-N 2.9Å
614R95Very high93.7Very high30 Ų3044.6 Ų44.611%0.11324%0.235CC..Hα-helixtrans-63.6-38.8177.5-72.4161.7173.2-95.1-5.2113L539 T605 L607 S610 L611 Q612 D618 I619L539-R614 VanDerWaalsContact CD2-NH2 3.35Å; T605-R614 PolarHBondContact O-NH1 2.86Å; T605-R614 PolarHBondContact O-NH2 2.94Å; L607-R614 WeakPolarHBondContact O-CG 3.41Å; L607-R614 PolarHBondContact O-NE 3.19Å; L607-R614 PolarHBondContact O-NH2 2.88Å; S610-R614 WeakPolarHBondContact O-CD 3.46Å; S610-R614 WeakPolarHBondContact O-CG 3.49Å; S610-R614 PolarHBondContact O-N 3.04Å; L611-R614 PolarHBondContact O-N 3.35Å; Q612-R614 VanDerWaalsContact C-N 3.3Å; Q612-R614 PolarHBondContact O-N 2.71Å; R614-D618 PolarHBondContact O-N 3.23Å; R614-D618 VanDerWaalsContact O-N 3.1Å; R614-I619 HydrophobicContact CB-CD1 4.11Å; R614-I619 HydrophobicContact CG-CD1 3.84Å; R614-I619 PolarHBondContact O-N 3.37Å; R614-I619 VanDerWaalsContact O-N 3.14Å
615E93.5Very high93.7Very high94 Ų9445.4 Ų45.444%0.43924%0.241SC..Hα-helixtrans-68.2-42.3173.1-73.4-176.5-171.200111.8Y150 K158 L611 Q612 E613 L617 D618Y150-E615 WeakPolarHBondContact CE2-OE2 3.35Å; Y150-E615 PolarHBondContact OH-OE1 3.16Å; K158-E615 WeakPolarHBondContact CE-OE1 3.45Å; K158-E615 WeakPolarHBondContact CE-OE2 3.41Å; K158-E615 IonicContact NZ-OE1 2.78Å; K158-E615 PolarHBondContact NZ-OE1 2.97Å; K158-E615 IonicContact NZ-OE2 3.43Å; K158-E615 PolarHBondContact NZ-OE2 3.25Å; L611-E615 PolarHBondContact O-N 3.1Å; Q612-E615 PolarHBondContact O-N 3.31Å; E613-E615 VanDerWaalsContact C-N 3.34Å; E613-E615 PolarHBondContact O-N 3.29Å; E615-L617 VanDerWaalsContact C-N 3.28Å; E615-L617 PolarHBondContact O-N 2.81Å; E615-D618 PolarHBondContact O-N 2.76Å
616Q95.3Very high93.6Very high137 Ų13745 Ų4564%0.6424%0.239SC*.Hα-helixtrans-61-38.3177.2-72.9170.7-2.800112.4Q612 E613 D618Q612-Q616 VanDerWaalsContact O-CG 3.32Å; Q612-Q616 WeakPolarHBondContact O-CG 3.4Å; Q612-Q616 PolarHBondContact O-N 3.44Å; E613-Q616 PolarHBondContact O-N 3.28Å; Q616-D618 VanDerWaalsContact C-N 3.28Å
617L94Very high93.5Very high36 Ų3645.1 Ų45.119%0.18824%0.239CC..THydrogen-bonded Turntrans-81.1-8.1175.9-68.2174.2000113.2V104 T105 E613 E615 I619V104-L617 HydrophobicContact CB-CD1 4.47Å; V104-L617 HydrophobicContact CG1-CD1 3.93Å; T105-L617 HydrophobicContact CG2-CD2 4.22Å; E613-L617 HydrophobicContact CG-CD1 4.05Å; E613-L617 WeakPolarHBondContact O-CB 3.43Å; E613-L617 WeakPolarHBondContact O-CG 3.49Å; E613-L617 PolarHBondContact O-N 2.9Å; E615-L617 VanDerWaalsContact C-N 3.28Å; E615-L617 PolarHBondContact O-N 2.81Å; L617-I619 VanDerWaalsContact C-N 3.25Å; L617-I619 HydrophobicContact CB-CD1 4.04Å; L617-I619 HydrophobicContact CB-CG1 3.75Å; L617-I619 HydrophobicContact CD1-CD1 4.1Å; L617-I619 PolarHBondContact O-N 2.84Å
618D93.6Very high93.2Very high61 Ų6145.1 Ų45.133%0.32624%0.241SC..THydrogen-bonded Turntrans54.841.6180-169.822.3000112.4R614 E615 Q616 S620 S621 K622R614-D618 PolarHBondContact O-N 3.23Å; R614-D618 VanDerWaalsContact O-N 3.1Å; E615-D618 PolarHBondContact O-N 2.76Å; Q616-D618 VanDerWaalsContact C-N 3.28Å; D618-S620 VanDerWaalsContact C-N 3.32Å; D618-S620 PolarHBondContact O-N 2.85Å; D618-S621 PolarHBondContact O-N 3.45Å; D618-S621 PolarHBondContact O-OG 3.26Å; D618-S621 WeakPolarHBondContact OD1-CB 3.11Å; D618-S621 PolarHBondContact OD1-OG 3.28Å; D618-S621 PolarHBondContact OD2-OG 3.08Å; D618-K622 HydrophobicContact CB-CD 4.18Å; D618-K622 WeakPolarHBondContact O-CB 3.13Å; D618-K622 WeakPolarHBondContact O-CG 3.31Å; D618-K622 PolarHBondContact O-N 2.99Å; D618-K622 VanDerWaalsContact O-N 3.16Å; D618-K622 VanDerWaalsContact OD2-CE 3.3Å; D618-K622 WeakPolarHBondContact OD2-CE 3.27Å; D618-K622 IonicContact OD2-NZ 3.81Å
619I92.3Very high93Very high8 Ų848.5 Ų48.54%0.04125%0.254CS..Hα-helixtrans-62.4-40-171.6-70.7171.2000111.3F110 G604 L607 R614 L617 S621 K622 T623F110-I619 HydrophobicContact CZ-CG1 4.09Å; G604-I619 WeakPolarHBondContact O-CG2 3.48Å; L607-I619 HydrophobicContact CB-CD1 3.67Å; R614-I619 HydrophobicContact CB-CD1 4.11Å; R614-I619 HydrophobicContact CG-CD1 3.84Å; R614-I619 PolarHBondContact O-N 3.37Å; R614-I619 VanDerWaalsContact O-N 3.14Å; L617-I619 VanDerWaalsContact C-N 3.25Å; L617-I619 HydrophobicContact CB-CD1 4.04Å; L617-I619 HydrophobicContact CB-CG1 3.75Å; L617-I619 HydrophobicContact CD1-CD1 4.1Å; L617-I619 PolarHBondContact O-N 2.84Å; I619-S621 VanDerWaalsContact C-N 3.26Å; I619-S621 PolarHBondContact O-N 3.1Å; I619-K622 PolarHBondContact O-N 2.66Å; I619-T623 HydrophobicContact CG2-CG2 4.32Å; I619-T623 VanDerWaalsContact CG2-OG1 3.3Å; I619-T623 WeakPolarHBondContact CG2-OG1 3.3Å; I619-T623 WeakPolarHBondContact O-CB 3.44Å; I619-T623 PolarHBondContact O-N 2.93Å; I619-T623 PolarHBondContact O-OG1 2.76Å
620S89.5Confident92.8Very high108 Ų10847.2 Ų47.276%0.75525%0.247SC*.Hα-helixtrans-64.4-27.6-176.251.10000114D618D618-S620 VanDerWaalsContact C-N 3.32Å; D618-S620 PolarHBondContact O-N 2.85Å
621S90Very high92.5Very high80 Ų8049 Ų4956%0.55926%0.26SS*.Hα-helixtrans-96.6-28.8179.678.20000112.6D618 I619D618-S621 PolarHBondContact O-N 3.45Å; D618-S621 PolarHBondContact O-OG 3.26Å; D618-S621 WeakPolarHBondContact OD1-CB 3.11Å; D618-S621 PolarHBondContact OD1-OG 3.28Å; D618-S621 PolarHBondContact OD2-OG 3.08Å; I619-S621 VanDerWaalsContact C-N 3.26Å; I619-S621 PolarHBondContact O-N 3.1Å
622K91.7Very high92.3Very high118 Ų11849.7 Ų49.751%0.51326%0.262SS..Hα-helixtrans-95.3-11.8-175.3-66177.9-177.8164.10114.7F110 D618 I619F110-K622 HydrophobicContact CD1-CB 3.86Å; F110-K622 HydrophobicContact CD1-CD 4.37Å; F110-K622 HydrophobicContact CE1-CB 4.02Å; F110-K622 HydrophobicContact CE1-CD 4.27Å; D618-K622 HydrophobicContact CB-CD 4.18Å; D618-K622 WeakPolarHBondContact O-CB 3.13Å; D618-K622 WeakPolarHBondContact O-CG 3.31Å; D618-K622 PolarHBondContact O-N 2.99Å; D618-K622 VanDerWaalsContact O-N 3.16Å; D618-K622 VanDerWaalsContact OD2-CE 3.3Å; D618-K622 WeakPolarHBondContact OD2-CE 3.27Å; D618-K622 IonicContact OD2-NZ 3.81Å; I619-K622 PolarHBondContact O-N 2.66Å
623T92.1Very high92.1Very high18 Ų1852.4 Ų52.411%0.1129%0.285CS..SBendtrans-133162.4-177.174.30000111.4P109 F110 G604 I619P109-T623 HydrophobicContact CB-CG2 4.24Å; F110-T623 HydrophobicContact CD1-CG2 3.81Å; F110-T623 HydrophobicContact CD2-CG2 4.4Å; F110-T623 HydrophobicContact CE1-CG2 3.86Å; F110-T623 HydrophobicContact CE2-CG2 4.43Å; F110-T623 HydrophobicContact CG-CG2 4.1Å; F110-T623 HydrophobicContact CZ-CG2 4.19Å; G604-T623 WeakPolarHBondContact CA-OG1 3.29Å; I619-T623 HydrophobicContact CG2-CG2 4.32Å; I619-T623 VanDerWaalsContact CG2-OG1 3.3Å; I619-T623 WeakPolarHBondContact CG2-OG1 3.3Å; I619-T623 WeakPolarHBondContact O-CB 3.44Å; I619-T623 PolarHBondContact O-N 2.93Å; I619-T623 PolarHBondContact O-OG1 2.76Å
624I90.9Very high91.8Very high48 Ų4856.7 Ų56.725%0.24631%0.308CS..  trans-94.1142.1176.5-61.1167000109.2Y112 S114 Y603 G604Y112-I624 HydrophobicContact CD1-CD1 3.89Å; Y112-I624 HydrophobicContact CE1-CD1 3.96Å; S114-I624 VanDerWaalsContact CB-CD1 3.46Å; Y603-I624 CarbonylContact C-O 3.3Å; Y603-I624 VanDerWaalsContact CA-O 3.32Å; Y603-I624 WeakPolarHBondContact CA-O 3.37Å; Y603-I624 VanDerWaalsContact CB-O 3.29Å; Y603-I624 WeakPolarHBondContact CB-O 3.4Å; Y603-I624 HydrophobicContact CD1-CB 4.09Å; Y603-I624 HydrophobicContact CD1-CG2 3.86Å; Y603-I624 HydrophobicContact CE1-CG2 4.06Å; G604-I624 PolarHBondContact N-O 3.18Å
625S91.3Very high91.7Very high19 Ų1956 Ų5613%0.13331%0.307CS..  trans-77.5137.5173.2-177.30000111.5T605 W627 S628T605-S625 WeakPolarHBondContact OG1-CA 3.45Å; T605-S625 PolarHBondContact OG1-OG 3.38Å; S625-W627 PolarHBondContact O-N 3.44Å; S625-W627 WeakPolarHBondContact OG-CB 3.2Å; S625-W627 PolarHBondContact OG-N 3.47Å; S625-S628 WeakPolarHBondContact O-CB 3.49Å; S625-S628 PolarHBondContact O-N 3.23Å; S625-S628 VanDerWaalsContact O-N 3.13Å
626L93.1Very high91.6Very high0 Ų053.4 Ų53.40%030%0.297CS..Hα-helixtrans-56.1-34.5169.6174.762.6000111.2I593 H597 Y603 T605 F606 S628 Y629 I630I593-L626 HydrophobicContact CG2-CD1 4.38Å; H597-L626 HydrophobicContact CB-CD1 4.28Å; H597-L626 HydrophobicContact CB-CD2 3.74Å; Y603-L626 HydrophobicContact CD2-CB 3.98Å; Y603-L626 HydrophobicContact CD2-CD1 3.46Å; Y603-L626 VanDerWaalsContact CD2-CD1 3.46Å; Y603-L626 HydrophobicContact CD2-CG 4.32Å; Y603-L626 HydrophobicContact CE2-CD1 3.68Å; Y603-L626 HydrophobicContact CG-CB 4.02Å; Y603-L626 HydrophobicContact CG-CD1 4.32Å; T605-L626 HydrophobicContact CG2-CB 4.49Å; T605-L626 WeakPolarHBondContact OG1-CB 3.45Å; T605-L626 PolarHBondContact OG1-N 3.01Å; F606-L626 HydrophobicContact CE2-CD2 3.7Å; L626-S628 VanDerWaalsContact C-N 3.27Å; L626-S628 PolarHBondContact O-N 2.78Å; L626-Y629 HydrophobicContact CD1-CD1 4.16Å; L626-Y629 WeakPolarHBondContact O-CA 3.4Å; L626-Y629 WeakPolarHBondContact O-CB 3.24Å; L626-Y629 PolarHBondContact O-N 2.78Å; L626-I630 HydrophobicContact CD1-CD1 4.1Å; L626-I630 HydrophobicContact CD1-CG1 4.17Å; L626-I630 HydrophobicContact CD2-CD1 4.2Å; L626-I630 HydrophobicContact CG-CD1 3.82Å; L626-I630 HydrophobicContact CG-CG1 4.25Å; L626-I630 PolarHBondContact O-N 2.85Å
627W92.8Very high91.4Very high11 Ų1152 Ų524%0.04229%0.29CS..Hα-helixtrans-63.5-33.7179.4-49.6151.8000112.3Q531 I534 D535 I594 T605 F606 S625 Y629 I630 S631Q531-W627 HydrophobicContact CB-CD2 4.08Å; Q531-W627 HydrophobicContact CB-CE3 4.19Å; Q531-W627 HydrophobicContact CB-CZ3 4.47Å; Q531-W627 HydrophobicContact CG-CD2 3.99Å; Q531-W627 HydrophobicContact CG-CE3 3.61Å; Q531-W627 HydrophobicContact CG-CH2 4.44Å; Q531-W627 HydrophobicContact CG-CZ3 3.86Å; Q531-W627 VanDerWaalsContact OE1-CB 3.27Å; I534-W627 HydrophobicContact CB-CH2 4.38Å; I534-W627 HydrophobicContact CB-CZ2 4.2Å; I534-W627 HydrophobicContact CD1-CH2 4.1Å; I534-W627 HydrophobicContact CG2-CH2 4.15Å; I534-W627 HydrophobicContact CG2-CZ2 3.89Å; D535-W627 PolarHBondContact OD1-NE1 3.08Å; D535-W627 VanDerWaalsContact OD2-CD1 3.26Å; D535-W627 PolarHBondContact OD2-NE1 3.48Å; I594-W627 HydrophobicContact CD1-CZ3 4.39Å; I594-W627 HydrophobicContact CG1-CZ3 4.31Å; T605-W627 HydrophobicContact CG2-CD2 4.31Å; T605-W627 HydrophobicContact CG2-CH2 4.31Å; T605-W627 HydrophobicContact CG2-CZ2 3.57Å; F606-W627 HydrophobicContact CE2-CH2 4.5Å; F606-W627 AromaticContact CZ-CH2 3.98Å; F606-W627 HydrophobicContact CZ-CH2 3.98Å; F606-W627 HydrophobicContact CZ-CZ2 4.42Å; S625-W627 PolarHBondContact O-N 3.44Å; S625-W627 WeakPolarHBondContact OG-CB 3.2Å; S625-W627 PolarHBondContact OG-N 3.47Å; W627-Y629 PolarHBondContact O-N 3.39Å; W627-I630 HydrophobicContact CE3-CD1 3.92Å; W627-I630 HydrophobicContact CZ3-CD1 3.88Å; W627-I630 PolarHBondContact O-N 2.94Å; W627-S631 WeakPolarHBondContact O-CB 3.49Å; W627-S631 PolarHBondContact O-N 2.87Å; W627-S631 PolarHBondContact O-OG 2.98Å
628S89Confident91.3Very high21 Ų2155.5 Ų55.515%0.14730%0.301CS..Hα-helixtrans-66.9-27174.4-54.10000112.4S625 L626 Q632S625-S628 WeakPolarHBondContact O-CB 3.49Å; S625-S628 PolarHBondContact O-N 3.23Å; S625-S628 VanDerWaalsContact O-N 3.13Å; L626-S628 VanDerWaalsContact C-N 3.27Å; L626-S628 PolarHBondContact O-N 2.78Å; S628-Q632 WeakPolarHBondContact O-CG 3.36Å
629Y90.3Very high91.3Very high71 Ų7152.6 Ų52.628%0.27829%0.286SS..Hα-helixtrans-78.6-48.6171.9168-107.4000111.7Y603 L626 W627 S631 Q632 V635Y603-Y629 HydrophobicContact CE2-CD1 4.17Å; Y603-Y629 HydrophobicContact CE2-CG 4.18Å; Y603-Y629 VanDerWaalsContact CZ-CB 3.49Å; Y603-Y629 AromaticContact CZ-CG 3.74Å; Y603-Y629 VanDerWaalsContact OH-CB 3.3Å; Y603-Y629 WeakPolarHBondContact OH-CB 3.35Å; Y603-Y629 VanDerWaalsContact OH-CD2 3.29Å; Y603-Y629 WeakPolarHBondContact OH-CD2 3.35Å; L626-Y629 HydrophobicContact CD1-CD1 4.16Å; L626-Y629 WeakPolarHBondContact O-CA 3.4Å; L626-Y629 WeakPolarHBondContact O-CB 3.24Å; L626-Y629 PolarHBondContact O-N 2.78Å; W627-Y629 PolarHBondContact O-N 3.39Å; Y629-S631 VanDerWaalsContact C-N 3.26Å; Y629-S631 PolarHBondContact O-N 2.99Å; Y629-Q632 WeakPolarHBondContact O-CB 3.32Å; Y629-Q632 VanDerWaalsContact O-CG 3.24Å; Y629-Q632 WeakPolarHBondContact O-CG 3.28Å; Y629-Q632 PolarHBondContact O-N 3.06Å; Y629-Q632 VanDerWaalsContact O-N 3.15Å; Y629-V635 HydrophobicContact CD2-CG2 4.24Å; Y629-V635 HydrophobicContact CE1-CG1 4.09Å; Y629-V635 HydrophobicContact CE1-CG2 4.44Å; Y629-V635 HydrophobicContact CE2-CG2 3.7Å
630I92Very high91.4Very high0 Ų056.1 Ų56.10%030%0.302CS..Hα-helixtrans-62.5-36.2-178.6-67.2-179.6000111.5I527 L590 I593 I594 L626 W627 Q632 T636 L639I527-I630 HydrophobicContact CG2-CG2 4.06Å; L590-I630 HydrophobicContact CD1-CD1 3.78Å; L590-I630 HydrophobicContact CD1-CG2 4.08Å; I593-I630 HydrophobicContact CG2-CD1 4.28Å; I594-I630 HydrophobicContact CG1-CD1 4.43Å; L626-I630 HydrophobicContact CD1-CD1 4.1Å; L626-I630 HydrophobicContact CD1-CG1 4.17Å; L626-I630 HydrophobicContact CD2-CD1 4.2Å; L626-I630 HydrophobicContact CG-CD1 3.82Å; L626-I630 HydrophobicContact CG-CG1 4.25Å; L626-I630 PolarHBondContact O-N 2.85Å; W627-I630 HydrophobicContact CE3-CD1 3.92Å; W627-I630 HydrophobicContact CZ3-CD1 3.88Å; W627-I630 PolarHBondContact O-N 2.94Å; I630-Q632 PolarHBondContact O-N 2.94Å; I630-T636 PolarHBondContact O-N 2.77Å; I630-T636 PolarHBondContact O-OG1 3.36Å; I630-L639 HydrophobicContact CG2-CD1 3.96Å
631S90.1Very high91.6Very high51 Ų5151.8 Ų51.836%0.35727%0.27SS..THydrogen-bonded Turntrans-74.8-1.5-179.3-58.40000114.1W627 Y629W627-S631 WeakPolarHBondContact O-CB 3.49Å; W627-S631 PolarHBondContact O-N 2.87Å; W627-S631 PolarHBondContact O-OG 2.98Å; Y629-S631 VanDerWaalsContact C-N 3.26Å; Y629-S631 PolarHBondContact O-N 2.99Å
632Q89.5Confident91.6Very high33 Ų3349 Ų4915%0.15425%0.25CS..SBendtrans-67.7134.9174.7-65.3179.614.800110.4S628 Y629 I630 I634 V635 T636S628-Q632 WeakPolarHBondContact O-CG 3.36Å; Y629-Q632 WeakPolarHBondContact O-CB 3.32Å; Y629-Q632 VanDerWaalsContact O-CG 3.24Å; Y629-Q632 WeakPolarHBondContact O-CG 3.28Å; Y629-Q632 PolarHBondContact O-N 3.06Å; Y629-Q632 VanDerWaalsContact O-N 3.15Å; I630-Q632 PolarHBondContact O-N 2.94Å; Q632-I634 VanDerWaalsContact C-N 3.27Å; Q632-I634 PolarHBondContact O-N 3.47Å; Q632-I634 VanDerWaalsContact O-N 3.08Å; Q632-V635 HydrophobicContact CB-CB 4.32Å; Q632-V635 HydrophobicContact CB-CG2 4.1Å; Q632-V635 WeakPolarHBondContact O-CA 3.32Å; Q632-V635 PolarHBondContact O-N 3.42Å; Q632-T636 PolarHBondContact O-N 2.77Å; Q632-T636 PolarHBondContact O-OG1 3.03Å; Q632-T636 VanDerWaalsContact O-OG1 3.1Å
633P91Very high91.4Very high109 Ų10946.9 Ų46.971%0.70824%0.241SC*.Hα-helixtrans-52.9-39.9-174.1-29.635000114.8V635 H637P633-V635 VanDerWaalsContact C-N 3.35Å; P633-H637 WeakPolarHBondContact O-CB 3.44Å; P633-H637 PolarHBondContact O-N 3.09Å
634I90.9Very high91.2Very high138 Ų13848 Ų4871%0.70824%0.244SC*.Hα-helixtrans-65.3-40.9179.3-61.5166000110.9Q632 R638Q632-I634 VanDerWaalsContact C-N 3.27Å; Q632-I634 PolarHBondContact O-N 3.47Å; Q632-I634 VanDerWaalsContact O-N 3.08Å; I634-R638 PolarHBondContact O-N 3.29Å
635V92.4Very high90.5Very high15 Ų1548.2 Ų48.29%0.09125%0.249CC..Hα-helixtrans-74-50.9-179.8-178.20000109.6Y629 Q632 P633 H637 R638 L639Y629-V635 HydrophobicContact CD2-CG2 4.24Å; Y629-V635 HydrophobicContact CE1-CG1 4.09Å; Y629-V635 HydrophobicContact CE1-CG2 4.44Å; Y629-V635 HydrophobicContact CE2-CG2 3.7Å; Q632-V635 HydrophobicContact CB-CB 4.32Å; Q632-V635 HydrophobicContact CB-CG2 4.1Å; Q632-V635 WeakPolarHBondContact O-CA 3.32Å; Q632-V635 PolarHBondContact O-N 3.42Å; P633-V635 VanDerWaalsContact C-N 3.35Å; V635-H637 VanDerWaalsContact C-N 3.29Å; V635-H637 PolarHBondContact O-N 2.74Å; V635-R638 WeakPolarHBondContact O-CB 3.23Å; V635-R638 PolarHBondContact O-N 2.97Å; V635-L639 HydrophobicContact CG1-CD1 3.81Å; V635-L639 HydrophobicContact CG1-CG 4.34Å; V635-L639 VanDerWaalsContact O-CG 3.3Å; V635-L639 WeakPolarHBondContact O-CG 3.32Å; V635-L639 PolarHBondContact O-N 3.21Å
636T92.1Very high89.5Confident39 Ų3951.5 Ų51.524%0.23927%0.266CS..Hα-helixtrans-51.9-48.2175.7-52.10000111.5I527 I630 Q632 R638 L639 Q640I527-T636 HydrophobicContact CD1-CG2 3.87Å; I630-T636 PolarHBondContact O-N 2.77Å; I630-T636 PolarHBondContact O-OG1 3.36Å; Q632-T636 PolarHBondContact O-N 2.77Å; Q632-T636 PolarHBondContact O-OG1 3.03Å; Q632-T636 VanDerWaalsContact O-OG1 3.1Å; T636-R638 VanDerWaalsContact C-N 3.33Å; T636-R638 PolarHBondContact O-N 3.03Å; T636-L639 PolarHBondContact O-N 3.28Å; T636-Q640 PolarHBondContact O-N 2.83Å
637H91.6Very high87.9Confident108 Ų10857.1 Ų57.150%0.529%0.292SS..Hα-helixtrans-61.2-39.8178.7176.5-92.7000112.4P633 V635 L639 R701P633-H637 WeakPolarHBondContact O-CB 3.44Å; P633-H637 PolarHBondContact O-N 3.09Å; V635-H637 VanDerWaalsContact C-N 3.29Å; V635-H637 PolarHBondContact O-N 2.74Å; H637-L639 VanDerWaalsContact C-N 3.33Å; H637-L639 PolarHBondContact O-N 3.13Å; H637-R701 PolarHBondContact O-NH2 3.36Å
638R91Very high86Confident110 Ų11064.6 Ų64.642%0.41533%0.325SS..Hα-helixtrans-61.8-43.8176.1-177.1-178.4178.3-174.40.7111.3E589 I634 V635 T636 Q640 D694 R701E589-R638 VanDerWaalsContact OE1-CD 3.26Å; E589-R638 WeakPolarHBondContact OE1-CD 3.47Å; E589-R638 IonicContact OE1-CZ 2.82Å; E589-R638 IonicContact OE1-NE 3.46Å; E589-R638 PolarHBondContact OE1-NE 2.88Å; E589-R638 IonicContact OE1-NH1 3.97Å; E589-R638 PolarHBondContact OE1-NH1 2.89Å; E589-R638 IonicContact OE1-NH2 3.99Å; E589-R638 PolarHBondContact OE1-NH2 2.83Å; E589-R638 IonicContact OE2-CZ 3.71Å; E589-R638 IonicContact OE2-NE 3.84Å; E589-R638 PolarHBondContact OE2-NE 3.03Å; E589-R638 IonicContact OE2-NH2 3.72Å; I634-R638 PolarHBondContact O-N 3.29Å; V635-R638 WeakPolarHBondContact O-CB 3.23Å; V635-R638 PolarHBondContact O-N 2.97Å; T636-R638 VanDerWaalsContact C-N 3.33Å; T636-R638 PolarHBondContact O-N 3.03Å; R638-Q640 VanDerWaalsContact C-N 3.34Å; R638-D694 IonicContact NH2-OD1 3.81Å; R638-D694 PolarHBondContact NH2-OD1 3.25Å; R638-D694 IonicContact NH2-OD2 2.87Å; R638-R701 PolarHBondContact O-NH2 3.14Å
639L94.6Very high83.7Confident0 Ų068.6 Ų68.60%034%0.344CS..Hα-helixtrans-76-21.4-175.1-61.8176.2000113.6I527 F586 T587 E589 L590 I593 I630 V635 T636 H637 N641I527-L639 HydrophobicContact CD1-CB 4.4Å; F586-L639 CarbonylContact C-O 3.59Å; F586-L639 WeakPolarHBondContact CA-O 3.31Å; T587-L639 PolarHBondContact N-O 2.89Å; T587-L639 PolarHBondContact OG1-O 3Å; E589-L639 HydrophobicContact CB-CD2 3.78Å; E589-L639 HydrophobicContact CG-CD2 3.82Å; L590-L639 HydrophobicContact CB-CD1 4.47Å; L590-L639 HydrophobicContact CB-CD2 4.32Å; L590-L639 HydrophobicContact CD1-CD1 3.93Å; I593-L639 HydrophobicContact CD1-CD1 4.34Å; I593-L639 HydrophobicContact CD1-CD2 3.76Å; I630-L639 HydrophobicContact CG2-CD1 3.96Å; V635-L639 HydrophobicContact CG1-CD1 3.81Å; V635-L639 HydrophobicContact CG1-CG 4.34Å; V635-L639 VanDerWaalsContact O-CG 3.3Å; V635-L639 WeakPolarHBondContact O-CG 3.32Å; V635-L639 PolarHBondContact O-N 3.21Å; T636-L639 PolarHBondContact O-N 3.28Å; H637-L639 VanDerWaalsContact C-N 3.33Å; H637-L639 PolarHBondContact O-N 3.13Å; L639-N641 PolarHBondContact O-N 3.02Å
640Q93.8Very high81.5Confident81 Ų8174.5 Ų74.538%0.37937%0.374SS..BIsolated β-bridgetrans-64.7130.1-177.7-167.6175.311.500112.2I527 E585 T636 R638 P642 R701I527-Q640 HydrophobicContact CD1-CB 4.45Å; E585-Q640 CarbonylContact O-C 3.58Å; E585-Q640 WeakPolarHBondContact O-CA 3.48Å; T636-Q640 PolarHBondContact O-N 2.83Å; R638-Q640 VanDerWaalsContact C-N 3.34Å; Q640-P642 WeakPolarHBondContact O-CD 3.3Å; Q640-R701 PolarHBondContact O-NH2 3Å
641N92.8Very high79Confident17 Ų1780 Ų809%0.09140%0.404CS..  trans-79.4115.9172.9177.211.9000110P581 F584 E585 T587 L639 F643 Y644P581-N641 PolarHBondContact O-ND2 3.24Å; F584-N641 WeakPolarHBondContact O-CB 3.3Å; F584-N641 PolarHBondContact O-ND2 2.85Å; E585-N641 WeakPolarHBondContact O-CB 3.49Å; E585-N641 PolarHBondContact O-N 3.24Å; T587-N641 HydrophobicContact CG2-CB 4.12Å; L639-N641 PolarHBondContact O-N 3.02Å; N641-F643 PolarHBondContact O-N 3.4Å; N641-F643 PolarHBondContact OD1-N 2.8Å; N641-F643 VanDerWaalsContact OD1-N 3.08Å; N641-Y644 WeakPolarHBondContact O-CB 3.39Å; N641-Y644 PolarHBondContact O-N 3.09Å
642P90.2Very high76.7Confident23 Ų2385.9 Ų85.915%0.14943%0.431CS..THydrogen-bonded Turntrans-66.7-17.3-178.427.9-35.6000113.9Q640 R701 K704Q640-P642 WeakPolarHBondContact O-CD 3.3Å; P642-R701 HydrophobicContact CG-CB 4.38Å; P642-K704 HydrophobicContact CB-CB 3.69Å; P642-K704 HydrophobicContact CB-CG 3.83Å; P642-K704 HydrophobicContact CG-CB 4.49Å; P642-K704 VanDerWaalsContact O-CD 3.25Å; P642-K704 WeakPolarHBondContact O-CD 3.45Å; P642-K704 VanDerWaalsContact O-CE 3.29Å; P642-K704 WeakPolarHBondContact O-CE 3.27Å; P642-K704 WeakPolarHBondContact O-CG 3.39Å
643F87.5Confident74.2Confident73 Ų7388.2 Ų88.232%0.3245%0.451SS..THydrogen-bonded Turntrans-94.73.1178.9-59.9-67.5000113.8N582 N641 S645 I703 K704N582-F643 WeakPolarHBondContact CB-O 3.49Å; N582-F643 WeakPolarHBondContact OD1-CB 3.49Å; N641-F643 PolarHBondContact O-N 3.4Å; N641-F643 PolarHBondContact OD1-N 2.8Å; N641-F643 VanDerWaalsContact OD1-N 3.08Å; F643-S645 PolarHBondContact O-N 3.02Å; F643-I703 HydrophobicContact CZ-CG2 4.49Å; F643-K704 HydrophobicContact CD1-CD 4.22Å; F643-K704 HydrophobicContact CE1-CB 4.46Å; F643-K704 HydrophobicContact CE1-CD 4.31Å
644Y89Confident71.2Confident42 Ų4290.7 Ų90.717%0.16545%0.454CS..  trans-62.3130175.9179.4-115.7000111.4E585 N641 D646E585-Y644 VanDerWaalsContact CA-CG 3.48Å; E585-Y644 HydrophobicContact CB-CD1 3.89Å; E585-Y644 HydrophobicContact CB-CD2 4.06Å; E585-Y644 HydrophobicContact CB-CE1 3.98Å; E585-Y644 HydrophobicContact CB-CE2 4.13Å; E585-Y644 HydrophobicContact CB-CG 3.93Å; E585-Y644 HydrophobicContact CG-CD1 3.81Å; E585-Y644 HydrophobicContact CG-CE1 4.03Å; E585-Y644 HydrophobicContact CG-CG 4.23Å; E585-Y644 VanDerWaalsContact N-CD2 3.31Å; N641-Y644 WeakPolarHBondContact O-CB 3.39Å; N641-Y644 PolarHBondContact O-N 3.09Å; Y644-D646 HydrophobicContact CD1-CB 4.46Å; Y644-D646 HydrophobicContact CE1-CB 3.84Å
645S76.3Confident68.3Low52 Ų5289.9 Ų89.936%0.36446%0.457SS..  trans-105103.817556.50000110.1N582 F643N582-S645 PolarHBondContact O-N 3.03Å; F643-S645 PolarHBondContact O-N 3.02Å
646D69.4Low65.3Low88 Ų8893.5 Ų93.547%0.47148%0.479SS..  trans-74.7150.4174.3-165.513.7000111.5Y644 K648Y644-D646 HydrophobicContact CD1-CB 4.46Å; Y644-D646 HydrophobicContact CE1-CB 3.84Å; D646-K648 VanDerWaalsContact C-N 3.26Å; D646-K648 PolarHBondContact O-N 2.86Å
647Q60.3Low62.3Low118 Ų11897.6 Ų97.655%0.55150%0.504SS*.SBendtrans-73.4-13.7-179.2-64.3-160.2-8.500114.1N649Q647-N649 PolarHBondContact O-N 3.35Å
648K51.8Low59.5Low168 Ų16897.5 Ų97.573%0.7351%0.511SS*.  trans-77.991.2-176.4-64.6177.3-172.71650109.1D646 E650D646-K648 VanDerWaalsContact C-N 3.26Å; D646-K648 PolarHBondContact O-N 2.86Å; K648-E650 PolarHBondContact O-N 3.08Å
649N40.7Very low56.9Low105 Ų10597.4 Ų97.456%0.56152%0.523SS*.  trans-48.9112.7162.6-76.3-21.4000108.6Q647 D651Q647-N649 PolarHBondContact O-N 3.35Å; N649-D651 PolarHBondContact O-N 2.64Å
650E44.8Very low54.4Low194 Ų194103.3 Ų103.391%0.90756%0.555SS**SBendtrans-64.8-22.2169.6-73.4-159.7143.100111.5K648K648-E650 PolarHBondContact O-N 3.08Å
651D39.3Very low52Low117 Ų117100.1 Ų100.163%0.62654%0.543SS*.  trans-111106.3178.1-68.8-34.4000110.4N649 S653N649-D651 PolarHBondContact O-N 2.64Å; D651-S653 PolarHBondContact O-N 3.27Å
652N41.8Very low50.3Low173 Ų173101.3 Ų101.393%0.92556%0.56SS**  trans-639.1166.5-85.1-31.6000113
653S36.7Very low49.5Very low83 Ų83105.9 Ų105.958%0.5858%0.575SS**SBendtrans-92101.8175.259.60000110.6D651D651-S653 PolarHBondContact O-N 3.27Å
654Q27.3Very low49.4Very low161 Ų161103.3 Ų103.375%0.75257%0.567SS**  trans83.2123.4171.4-65.2170.1-27.800116.7T656Q654-T656 PolarHBondContact O-N 3.35Å
655P30.7Very low49.5Very low120 Ų120101.3 Ų101.378%0.77956%0.559SS**  trans-71.895.616630.6-28.3000107.2T657P655-T657 PolarHBondContact O-N 2.76Å
656T28.8Very low50.2Low92 Ų9299.2 Ų99.256%0.56454%0.543SS*.  trans-60.8109.1157.737.90000106.6Q654 T658Q654-T656 PolarHBondContact O-N 3.35Å; T656-T658 PolarHBondContact O-N 2.88Å; T656-T658 VanDerWaalsContact O-N 3.08Å
657T29Very low51.3Low124 Ų12495 Ų9576%0.76152%0.521SS*.SBendtrans-47115.3169.642.90000109P655P655-T657 PolarHBondContact O-N 2.76Å
658T34.3Very low52.6Low106 Ų10692 Ų9265%0.6551%0.513SS*.  trans57.189.4164.860.50000116.3T656T656-T658 PolarHBondContact O-N 2.88Å; T656-T658 VanDerWaalsContact O-N 3.08Å
659V36.3Very low54.5Low109 Ų10984.3 Ų84.366%0.66148%0.479SS*.  trans-119.393.3173.6-174.50000111G661V659-G661 VanDerWaalsContact C-N 3.34Å; V659-G661 PolarHBondContact O-N 3.04Å
660D42.4Very low56.6Low124 Ų12481.9 Ų81.966%0.66347%0.47SS*.SBendtrans32.5-20153.6-62.3-19000125.1
661G42.6Very low58.5Low13 Ų1373.1 Ų73.113%0.13443%0.431CS..SBendtrans-86.8-17.2-174.800000115.9V659V659-G661 VanDerWaalsContact C-N 3.34Å; V659-G661 PolarHBondContact O-N 3.04Å
662G57.4Low60.7Low43 Ų4373.7 Ų73.744%0.44343%0.43SS..SBendtrans-96.81.3-172.300000116.2
663Y72.8Confident63Low119 Ų11966.6 Ų66.647%0.46740%0.396SS..SBendtrans-81.2153.2-177.2-65.4-77.5000112.4R525R525-Y663 PolarHBondContact NH1-O 2.5Å; R525-Y663 VanDerWaalsContact NH1-O 3.07Å
664A86.3Confident65.7Low18 Ų1863 Ų6315%0.14937%0.37CS..  trans-62.8138.3168.500000110.2I519 L520 W666I519-A664 HydrophobicContact CG2-CB 4.42Å; I519-A664 CarbonylContact O-C 3.6Å; I519-A664 WeakPolarHBondContact O-CA 3.44Å; I519-A664 VanDerWaalsContact O-CB 3.29Å; I519-A664 WeakPolarHBondContact O-CB 3.27Å; L520-A664 HydrophobicContact CD2-CB 3.87Å; A664-W666 HydrophobicContact CB-CD2 4.31Å; A664-W666 HydrophobicContact CB-CZ2 3.78Å; A664-W666 PolarHBondContact O-N 2.72Å
665C90.5Very high68.9Low1 Ų157.9 Ų57.91%0.00735%0.348CS..  trans-90.186.2179.2-74.90000109.1I519 R525 L576 Y580 P667I519-C665 PolarHBondContact O-N 3.26Å; R525-C665 PolarHBondContact NH1-SG 3.46Å; R525-C665 PolarHBondContact NH2-SG 3.01Å; L576-C665 HydrophobicContact CD2-CB 4.2Å; L576-C665 WeakPolarHBondContact CD2-O 3.41Å; Y580-C665 HydrophobicContact CD1-CB 4.29Å; Y580-C665 HydrophobicContact CD2-CB 3.59Å; Y580-C665 HydrophobicContact CE1-CB 4.47Å; Y580-C665 HydrophobicContact CE2-CB 3.8Å; Y580-C665 HydrophobicContact CG-CB 3.86Å; C665-P667 WeakPolarHBondContact O-CD 3.49Å
666W90.9Very high71.9Confident7 Ų752.5 Ų52.53%0.02731%0.312CS..  trans-79.5102.7-179.4-59.1108.2000111.3V451 A454 T455 D461 A464 I519 L520 Y580 A664 C668V451-W666 HydrophobicContact CG1-CE3 4.31Å; V451-W666 HydrophobicContact CG1-CZ3 4.41Å; A454-W666 HydrophobicContact CB-CH2 3.9Å; A454-W666 HydrophobicContact CB-CZ3 3.65Å; T455-W666 WeakPolarHBondContact OG1-CZ3 3.42Å; D461-W666 HydrophobicContact CB-CZ2 4.02Å; D461-W666 VanDerWaalsContact CG-NE1 3.31Å; D461-W666 PolarHBondContact OD2-NE1 2.89Å; A464-W666 HydrophobicContact CB-CD2 3.25Å; A464-W666 HydrophobicContact CB-CE3 3.58Å; A464-W666 HydrophobicContact CB-CG 3.7Å; A464-W666 HydrophobicContact CB-CH2 3.91Å; A464-W666 HydrophobicContact CB-CZ2 3.6Å; A464-W666 HydrophobicContact CB-CZ3 3.89Å; I519-W666 HydrophobicContact CG2-CD2 4.27Å; I519-W666 HydrophobicContact CG2-CE3 3.89Å; I519-W666 HydrophobicContact CG2-CH2 4.47Å; I519-W666 HydrophobicContact CG2-CZ3 4.01Å; L520-W666 HydrophobicContact CD2-CH2 4.06Å; L520-W666 HydrophobicContact CD2-CZ2 4.15Å; Y580-W666 PolarHBondContact OH-N 2.67Å; Y580-W666 VanDerWaalsContact OH-N 3.16Å; Y580-W666 PolarHBondContact OH-O 3.35Å; A664-W666 HydrophobicContact CB-CD2 4.31Å; A664-W666 HydrophobicContact CB-CZ2 3.78Å; A664-W666 PolarHBondContact O-N 2.72Å; W666-C668 PolarHBondContact O-N 2.85Å
667P92Very high75Confident0 Ų048.1 Ų48.10%029%0.285CS..  trans-63.4132.1-173.925.5-32.6000110.9L447 V451 Q467 L576 Q579 C665 L669L447-P667 HydrophobicContact CB-CG 4.27Å; L447-P667 HydrophobicContact CD1-CB 4.35Å; L447-P667 HydrophobicContact CD2-CB 4.39Å; L447-P667 HydrophobicContact CD2-CG 4.18Å; V451-P667 HydrophobicContact CG2-CG 3.6Å; Q467-P667 PolarHBondContact NE2-O 3.45Å; Q467-P667 PolarHBondContact OE1-O 3.38Å; L576-P667 HydrophobicContact CD2-CB 3.63Å; L576-P667 HydrophobicContact CD2-CG 4.02Å; Q579-P667 VanDerWaalsContact OE1-CA 3.26Å; C665-P667 WeakPolarHBondContact O-CD 3.49Å; P667-L669 HydrophobicContact CB-CD2 4.47Å; P667-L669 HydrophobicContact CG-CD2 4.29Å; P667-L669 PolarHBondContact O-N 3.43Å
668C88.8Confident78Confident56 Ų5645.1 Ų45.138%0.37826%0.263SS..  trans-65.6119162.6-177.20000109.4Q579 W666 A673Q579-C668 PolarHBondContact NE2-O 3.41Å; W666-C668 PolarHBondContact O-N 2.85Å; C668-A673 HydrophobicContact CB-CB 3.78Å
669L91Very high80.6Confident5 Ų541.1 Ų41.13%0.02624%0.237CC..  trans-92.91.6-175.4-63.1172.4000113.2R444 L447 A448 V451 E471 P667R444-L669 WeakPolarHBondContact CD-O 3.25Å; R444-L669 HydrophobicContact CG-CB 4.24Å; R444-L669 HydrophobicContact CG-CD2 4.34Å; L447-L669 HydrophobicContact CB-CD2 3.5Å; L447-L669 VanDerWaalsContact CB-CD2 3.5Å; L447-L669 HydrophobicContact CD1-CD2 4.39Å; A448-L669 HydrophobicContact CB-CD1 3.87Å; V451-L669 HydrophobicContact CG2-CD1 4.48Å; E471-L669 HydrophobicContact CG-CB 4.46Å; E471-L669 HydrophobicContact CG-CD1 3.78Å; E471-L669 VanDerWaalsContact OE1-CB 3.25Å; E471-L669 WeakPolarHBondContact OE1-CB 3.49Å; P667-L669 HydrophobicContact CB-CD2 4.47Å; P667-L669 HydrophobicContact CG-CD2 4.29Å; P667-L669 PolarHBondContact O-N 3.43Å
670S85.8Confident83.3Confident54 Ų5437 Ų3738%0.37821%0.211SC..SBendtrans-60.8145.9176.9-163.30000111.1Q672 A673S670-Q672 PolarHBondContact O-N 2.94Å; S670-Q672 VanDerWaalsContact O-N 3.15Å; S670-Q672 PolarHBondContact OG-OE1 2.93Å; S670-A673 WeakPolarHBondContact O-CB 3.35Å; S670-A673 PolarHBondContact O-N 2.86Å
671A83.7Confident85.7Confident11 Ų1131.1 Ų31.19%0.09118%0.179CC..G310 helixtrans-50.6-39.9177.800000113.5L362 A673L362-A671 HydrophobicContact CB-CB 4.07Å; L362-A671 HydrophobicContact CD1-CB 3.32Å; L362-A671 HydrophobicContact CG-CB 4.28Å; A671-A673 VanDerWaalsContact C-N 3.29Å; A671-A673 PolarHBondContact O-N 3.35Å
672Q86Confident87.7Confident129 Ų12931.7 Ų31.760%0.60318%0.179SC*.G310 helixtrans-76.2-16.2-177.9-57.380.111.500113.3S359 S670S359-Q672 PolarHBondContact OG-NE2 3.11Å; S359-Q672 VanDerWaalsContact OG-NE2 3.09Å; S670-Q672 PolarHBondContact O-N 2.94Å; S670-Q672 VanDerWaalsContact O-N 3.15Å; S670-Q672 PolarHBondContact OG-OE1 2.93Å
673A89.2Confident88.9Confident24 Ų2433.1 Ų33.120%0.19817%0.171CC..G310 helixtrans-86.5-1617900000112.6Q579 C668 S670 A671Q579-A673 PolarHBondContact NE2-O 2.89Å; C668-A673 HydrophobicContact CB-CB 3.78Å; S670-A673 WeakPolarHBondContact O-CB 3.35Å; S670-A673 PolarHBondContact O-N 2.86Å; A671-A673 VanDerWaalsContact C-N 3.29Å; A671-A673 PolarHBondContact O-N 3.35Å
674L94.2Very high89.3Confident7 Ų728 Ų284%0.03715%0.151CC..  trans-102.3131.1-178.9-58.1-179.8000110.3R444 L447 Q575R444-L674 HydrophobicContact CB-CD1 3.54Å; R444-L674 HydrophobicContact CG-CD1 3.97Å; L447-L674 HydrophobicContact CD1-CD2 4.05Å; Q575-L674 HydrophobicContact CB-CD2 4.25Å; Q575-L674 HydrophobicContact CG-CD2 4.01Å
675D94.4Very high88.3Confident54 Ų5429.7 Ų29.729%0.28916%0.158SC..  trans-129.4163.4-174-152.6-10.5000111.8L440 W574 Q575 R578L440-D675 WeakPolarHBondContact CD2-O 3.32Å; W574-D675 HydrophobicContact CH2-CB 4.23Å; W574-D675 HydrophobicContact CZ3-CB 4.21Å; W574-D675 WeakPolarHBondContact CZ3-O 3.47Å; Q575-D675 PolarHBondContact NE2-O 3.38Å; Q575-D675 VanDerWaalsContact OE1-N 3.17Å; R578-D675 VanDerWaalsContact CZ-CB 3.45Å; R578-D675 IonicContact CZ-OD2 3.16Å; R578-D675 VanDerWaalsContact NH1-CB 3.27Å; R578-D675 IonicContact NH2-OD2 3.51Å; R578-D675 PolarHBondContact NH2-OD2 2.94Å; R578-D675 VanDerWaalsContact NH2-OD2 3.15Å
676I94.2Very high86.9Confident6 Ų633.5 Ų33.53%0.03118%0.177CC..  trans-77.5129175.2-63.3172.2000108.2F324 I354 L436 L440 W574 E678 Y681F324-I676 HydrophobicContact CZ-CG2 4.2Å; I354-I676 HydrophobicContact CG2-CD1 4.03Å; L436-I676 HydrophobicContact CB-CD1 4.28Å; L436-I676 HydrophobicContact CD1-CD1 4.14Å; L436-I676 HydrophobicContact CD2-CD1 4.02Å; L436-I676 HydrophobicContact CG-CD1 4.36Å; L440-I676 HydrophobicContact CD1-CG1 4.23Å; W574-I676 WeakPolarHBondContact CH2-O 3.12Å; I676-E678 VanDerWaalsContact C-N 3.27Å; I676-E678 WeakPolarHBondContact O-CG 3.36Å; I676-E678 PolarHBondContact O-N 3.25Å; I676-Y681 HydrophobicContact CG2-CD2 4.13Å
677W94.2Very high85.2Confident1 Ų134 Ų340%0.00419%0.185CC..  trans-72.383.4172.4-172.13.2000110.8L570 D571 W574 L591 C592 E679 L680 Y681L570-W677 HydrophobicContact CB-CH2 4.27Å; L570-W677 HydrophobicContact CB-CZ3 3.9Å; D571-W677 HydrophobicContact CB-CE3 4.28Å; W574-W677 HydrophobicContact CB-CD2 4.06Å; W574-W677 HydrophobicContact CB-CE3 3.96Å; W574-W677 HydrophobicContact CB-CZ3 4.23Å; W574-W677 AromaticContact CD1-CD1 3.77Å; W574-W677 AromaticContact CD1-CD2 3.84Å; W574-W677 AromaticContact CD1-CE2 3.55Å; W574-W677 AromaticContact CD1-NE1 3.48Å; W574-W677 HydrophobicContact CD2-CB 3.9Å; W574-W677 AromaticContact CD2-CD1 3.91Å; W574-W677 HydrophobicContact CD2-CD2 4.05Å; W574-W677 AromaticContact CD2-CG 3.69Å; W574-W677 HydrophobicContact CD2-CG 3.69Å; W574-W677 AromaticContact CE2-CD1 3.41Å; W574-W677 VanDerWaalsContact CE2-CD1 3.41Å; W574-W677 AromaticContact CE2-CG 3.67Å; W574-W677 AromaticContact CE2-NE1 3.93Å; W574-W677 HydrophobicContact CE3-CB 3.87Å; W574-W677 HydrophobicContact CE3-CG 4.19Å; W574-W677 HydrophobicContact CG-CB 4.49Å; W574-W677 AromaticContact CG-CD2 3.72Å; W574-W677 HydrophobicContact CG-CD2 3.72Å; W574-W677 AromaticContact CG-CE2 3.91Å; W574-W677 HydrophobicContact CG-CE3 4.13Å; W574-W677 AromaticContact CG-CG 3.89Å; W574-W677 HydrophobicContact CG-CG 3.89Å; W574-W677 HydrophobicContact CH2-CB 4.15Å; W574-W677 HydrophobicContact CZ2-CB 4.16Å; W574-W677 AromaticContact CZ2-CD1 3.79Å; W574-W677 HydrophobicContact CZ2-CG 4.13Å; W574-W677 HydrophobicContact CZ3-CB 4.01Å; W574-W677 AromaticContact NE1-CD1 3.35Å; W574-W677 VanDerWaalsContact NE1-CD1 3.35Å; W574-W677 AromaticContact NE1-CE2 3.92Å; W574-W677 AromaticContact NE1-CG 3.89Å; W574-W677 AromaticContact NE1-NE1 3.36Å; L591-W677 HydrophobicContact CB-CH2 3.41Å; L591-W677 VanDerWaalsContact CB-CH2 3.41Å; L591-W677 HydrophobicContact CB-CZ2 3.71Å; L591-W677 HydrophobicContact CB-CZ3 4.49Å; L591-W677 HydrophobicContact CD1-CH2 4.39Å; C592-W677 VanDerWaalsContact SG-CZ2 3.6Å; W677-E679 PolarHBondContact O-N 3.01Å; W677-L680 HydrophobicContact CB-CB 4.47Å; W677-L680 HydrophobicContact CD2-CB 3.59Å; W677-L680 HydrophobicContact CD2-CD2 4.01Å; W677-L680 HydrophobicContact CD2-CG 4.44Å; W677-L680 HydrophobicContact CE3-CB 4.03Å; W677-L680 HydrophobicContact CE3-CD2 3.51Å; W677-L680 HydrophobicContact CE3-CG 4.4Å; W677-L680 HydrophobicContact CG-CB 3.79Å; W677-L680 HydrophobicContact CH2-CD2 3.99Å; W677-L680 HydrophobicContact CZ2-CB 4.22Å; W677-L680 HydrophobicContact CZ2-CD2 4.49Å; W677-L680 HydrophobicContact CZ3-CB 4.49Å; W677-L680 HydrophobicContact CZ3-CD2 3.51Å; W677-L680 PolarHBondContact O-N 3.02Å; W677-Y681 HydrophobicContact CB-CD2 3.96Å; W677-Y681 HydrophobicContact CB-CE2 3.78Å; W677-Y681 WeakPolarHBondContact O-CD2 3.35Å; W677-Y681 PolarHBondContact O-N 3.46Å
678E90.2Very high83.3Confident61 Ų6136.6 Ų36.629%0.28520%0.201SC..Hα-helixtrans-61.5-41.5-171.4-63.2-173154.200113I676 L680 Y681 Q682 Y683 L686 W693I676-E678 VanDerWaalsContact C-N 3.27Å; I676-E678 WeakPolarHBondContact O-CG 3.36Å; I676-E678 PolarHBondContact O-N 3.25Å; E678-L680 VanDerWaalsContact C-N 3.29Å; E678-L680 PolarHBondContact O-N 3.33Å; E678-Y681 PolarHBondContact O-N 3.14Å; E678-Q682 CarbonylContact O-C 3.58Å; E678-Q682 VanDerWaalsContact O-CA 3.27Å; E678-Q682 WeakPolarHBondContact O-CA 3.3Å; E678-Q682 WeakPolarHBondContact O-CB 3.38Å; E678-Q682 PolarHBondContact O-N 3.33Å; E678-Y683 PolarHBondContact O-N 3.1Å; E678-L686 HydrophobicContact CB-CD1 4.29Å; E678-W693 HydrophobicContact CB-CH2 3.76Å; E678-W693 HydrophobicContact CB-CZ3 4.43Å
679E89.8Confident81.8Confident21 Ų2138.5 Ų38.510%0.09821%0.207CC..Hα-helixtrans-60.3-39.5178.7-177.5173.5169.700112.1W677 Y683 W693 R697W677-E679 PolarHBondContact O-N 3.01Å; E679-Y683 HydrophobicContact CG-CD2 4.43Å; E679-Y683 VanDerWaalsContact O-CB 3.29Å; E679-Y683 WeakPolarHBondContact O-CB 3.46Å; E679-W693 HydrophobicContact CB-CD2 3.83Å; E679-W693 HydrophobicContact CB-CE3 3.88Å; E679-W693 HydrophobicContact CB-CG 4.31Å; E679-W693 HydrophobicContact CB-CH2 4.41Å; E679-W693 HydrophobicContact CB-CZ2 4.36Å; E679-W693 HydrophobicContact CB-CZ3 4.18Å; E679-W693 HydrophobicContact CG-CB 4.2Å; E679-W693 HydrophobicContact CG-CD2 3.83Å; E679-W693 HydrophobicContact CG-CE3 4.3Å; E679-W693 HydrophobicContact CG-CG 3.76Å; E679-R697 IonicContact OE1-CZ 2.85Å; E679-R697 IonicContact OE1-NH1 3.09Å; E679-R697 PolarHBondContact OE1-NH1 2.65Å; E679-R697 IonicContact OE1-NH2 2.98Å; E679-R697 PolarHBondContact OE1-NH2 2.84Å; E679-R697 IonicContact OE2-CZ 2.94Å; E679-R697 IonicContact OE2-NH1 3.31Å; E679-R697 IonicContact OE2-NH2 2.84Å; E679-R697 PolarHBondContact OE2-NH2 2.99Å
680L92.7Very high80.4Confident22 Ų2241.1 Ų41.112%0.11522%0.224CC..Hα-helixtrans-75-46.9177.9-177.564.7000111.6F75 I567 A595 W677 E678F75-L680 WeakPolarHBondContact CD2-O 3.5Å; F75-L680 HydrophobicContact CE2-CD1 4.45Å; F75-L680 HydrophobicContact CE2-CG 4.27Å; I567-L680 HydrophobicContact CG2-CD2 4.19Å; A595-L680 HydrophobicContact CB-CD1 3.97Å; W677-L680 HydrophobicContact CB-CB 4.47Å; W677-L680 HydrophobicContact CD2-CB 3.59Å; W677-L680 HydrophobicContact CD2-CD2 4.01Å; W677-L680 HydrophobicContact CD2-CG 4.44Å; W677-L680 HydrophobicContact CE3-CB 4.03Å; W677-L680 HydrophobicContact CE3-CD2 3.51Å; W677-L680 HydrophobicContact CE3-CG 4.4Å; W677-L680 HydrophobicContact CG-CB 3.79Å; W677-L680 HydrophobicContact CH2-CD2 3.99Å; W677-L680 HydrophobicContact CZ2-CB 4.22Å; W677-L680 HydrophobicContact CZ2-CD2 4.49Å; W677-L680 HydrophobicContact CZ3-CB 4.49Å; W677-L680 HydrophobicContact CZ3-CD2 3.51Å; W677-L680 PolarHBondContact O-N 3.02Å; E678-L680 VanDerWaalsContact C-N 3.29Å; E678-L680 PolarHBondContact O-N 3.33Å
681Y93.3Very high79.6Confident2 Ų241.6 Ų41.61%0.00823%0.225CC..Hα-helixtrans-95.6-16.6-167.3-56.9-51000115.2F75 F321 F324 I325 W439 I567 D571 I676 W677 E678F75-Y681 HydrophobicContact CD2-CD1 4.29Å; F75-Y681 AromaticContact CE2-CD1 3.9Å; F75-Y681 HydrophobicContact CE2-CD1 3.9Å; F75-Y681 HydrophobicContact CE2-CE1 4.28Å; F321-Y681 AromaticContact CE2-CE1 3.82Å; F321-Y681 HydrophobicContact CE2-CE1 3.82Å; F321-Y681 HydrophobicContact CZ-CE1 4.15Å; F324-Y681 AromaticContact CE1-CD1 3.87Å; F324-Y681 HydrophobicContact CE1-CD1 3.87Å; F324-Y681 AromaticContact CE1-CD2 3.59Å; F324-Y681 HydrophobicContact CE1-CD2 3.59Å; F324-Y681 HydrophobicContact CE1-CE1 4.01Å; F324-Y681 AromaticContact CE1-CE2 3.74Å; F324-Y681 HydrophobicContact CE1-CE2 3.74Å; F324-Y681 AromaticContact CE1-CG 3.65Å; F324-Y681 HydrophobicContact CE1-CG 3.65Å; F324-Y681 AromaticContact CE1-CZ 3.94Å; F324-Y681 AromaticContact CZ-CD2 3.62Å; F324-Y681 HydrophobicContact CZ-CD2 3.62Å; F324-Y681 AromaticContact CZ-CE2 3.9Å; F324-Y681 HydrophobicContact CZ-CE2 3.9Å; F324-Y681 HydrophobicContact CZ-CG 4.04Å; I325-Y681 HydrophobicContact CD1-CD1 3.52Å; I325-Y681 HydrophobicContact CD1-CE1 4.15Å; I325-Y681 HydrophobicContact CD1-CG 4.22Å; W439-Y681 AromaticContact NE1-CZ 3.94Å; W439-Y681 PolarHBondContact NE1-OH 3.31Å; I567-Y681 HydrophobicContact CG2-CE1 4.03Å; I567-Y681 WeakPolarHBondContact CG2-OH 3.24Å; D571-Y681 VanDerWaalsContact OD2-CE2 3.26Å; D571-Y681 WeakPolarHBondContact OD2-CE2 3.25Å; D571-Y681 PolarHBondContact OD2-OH 3.44Å; I676-Y681 HydrophobicContact CG2-CD2 4.13Å; W677-Y681 HydrophobicContact CB-CD2 3.96Å; W677-Y681 HydrophobicContact CB-CE2 3.78Å; W677-Y681 WeakPolarHBondContact O-CD2 3.35Å; W677-Y681 PolarHBondContact O-N 3.46Å; E678-Y681 PolarHBondContact O-N 3.14Å
682Q85.5Confident79.2Confident25 Ų2544.8 Ų44.812%0.11724%0.24CC..Hα-helixtrans-129.212.1-174.1-55.4-173.325.700113.1C328 E678 Q684 L685 L686C328-Q682 HydrophobicContact CB-CG 4.27Å; E678-Q682 CarbonylContact O-C 3.58Å; E678-Q682 VanDerWaalsContact O-CA 3.27Å; E678-Q682 WeakPolarHBondContact O-CA 3.3Å; E678-Q682 WeakPolarHBondContact O-CB 3.38Å; E678-Q682 PolarHBondContact O-N 3.33Å; Q682-Q684 VanDerWaalsContact C-N 3.28Å; Q682-Q684 PolarHBondContact O-N 3.29Å; Q682-Q684 VanDerWaalsContact O-N 3.09Å; Q682-L685 PolarHBondContact O-N 3.15Å; Q682-L686 HydrophobicContact CB-CD1 4.3Å; Q682-L686 PolarHBondContact O-N 2.69Å
683Y82.6Confident78.9Confident73 Ų7340.5 Ų40.529%0.28622%0.219SC..THydrogen-bonded Turntrans-40.8-51.6-178.3-171-101.2000113.9E678 E679 L685 W693E678-Y683 PolarHBondContact O-N 3.1Å; E679-Y683 HydrophobicContact CG-CD2 4.43Å; E679-Y683 VanDerWaalsContact O-CB 3.29Å; E679-Y683 WeakPolarHBondContact O-CB 3.46Å; Y683-L685 PolarHBondContact O-N 3.29Å; Y683-W693 AromaticContact CD2-CD1 3.75Å; Y683-W693 AromaticContact CD2-NE1 3.64Å; Y683-W693 AromaticContact CE2-CD1 3.61Å; Y683-W693 AromaticContact CE2-NE1 3.94Å
684Q79.3Confident78.7Confident11 Ų1141.1 Ų41.15%0.05122%0.219CC..THydrogen-bonded Turntrans-72-27.1-175.8-143.2-171.318.600114.4P12 N76 I77 Q682 V688P12-Q684 VanDerWaalsContact CD-OE1 3.28Å; P12-Q684 HydrophobicContact CG-CB 4.4Å; P12-Q684 HydrophobicContact CG-CG 4.17Å; N76-Q684 HydrophobicContact CB-CG 4.45Å; N76-Q684 VanDerWaalsContact OD1-CB 3.25Å; N76-Q684 WeakPolarHBondContact OD1-CB 3.41Å; N76-Q684 WeakPolarHBondContact OD1-CG 3.42Å; I77-Q684 PolarHBondContact O-NE2 2.94Å; I77-Q684 PolarHBondContact O-OE1 2.94Å; Q682-Q684 VanDerWaalsContact C-N 3.28Å; Q682-Q684 PolarHBondContact O-N 3.29Å; Q682-Q684 VanDerWaalsContact O-N 3.09Å; Q684-V688 HydrophobicContact CG-CG2 4.42Å
685L66.7Low78.3Confident54 Ų5445.7 Ų45.728%0.28324%0.241SC..THydrogen-bonded Turntrans-78.2-35.4-173.6-72.7177.2000112.4P12 C328 Q682 Y683 G687P12-L685 HydrophobicContact CB-CD2 3.97Å; P12-L685 HydrophobicContact CG-CD2 4.19Å; C328-L685 WeakPolarHBondContact O-CD1 3.23Å; Q682-L685 PolarHBondContact O-N 3.15Å; Y683-L685 PolarHBondContact O-N 3.29Å; L685-G687 PolarHBondContact O-N 2.91Å
686L59.7Low77.9Confident80 Ų8046.8 Ų46.842%0.41925%0.251SS..THydrogen-bonded Turntrans-81.27.5-177.5-68.1166.5000112.9E678 Q682 L692 W693E678-L686 HydrophobicContact CB-CD1 4.29Å; Q682-L686 HydrophobicContact CB-CD1 4.3Å; Q682-L686 PolarHBondContact O-N 2.69Å; L686-L692 HydrophobicContact CB-CD2 3.67Å; L686-W693 HydrophobicContact CB-CZ2 4.17Å; L686-W693 HydrophobicContact CD1-CH2 3.47Å; L686-W693 VanDerWaalsContact CD1-CH2 3.47Å; L686-W693 HydrophobicContact CD1-CZ2 3.4Å; L686-W693 VanDerWaalsContact CD1-CZ2 3.4Å; L686-W693 HydrophobicContact CG-CZ2 4.4Å
687G55.5Low77.6Confident19 Ų1947.4 Ų47.420%0.19625%0.253CS..  trans94.7132.3-179.400000111.2L685 N689L685-G687 PolarHBondContact O-N 2.91Å; G687-N689 PolarHBondContact O-N 3.17Å
688V51.7Low77.3Confident53 Ų5351.5 Ų51.532%0.32127%0.274SS..SBendtrans-69.725.7177.2-165.20000111.6Q684 P690Q684-V688 HydrophobicContact CG-CG2 4.42Å; V688-P690 WeakPolarHBondContact O-CD 3.3Å
689N58.7Low77.3Confident96 Ų9653.2 Ų53.251%0.51328%0.283SS..  trans-82.1100.3169.4-158.3-18.8000106.5G687 T691 L692G687-N689 PolarHBondContact O-N 3.17Å; N689-T691 PolarHBondContact ND2-OG1 3.47Å; N689-T691 VanDerWaalsContact ND2-OG1 3.16Å; N689-T691 PolarHBondContact O-N 2.92Å; N689-T691 WeakPolarHBondContact OD1-CB 3.45Å; N689-T691 WeakPolarHBondContact OD1-CG2 3.49Å; N689-T691 PolarHBondContact OD1-N 3.22Å; N689-T691 PolarHBondContact OD1-OG1 3.32Å; N689-L692 PolarHBondContact O-N 2.77Å
690P60.7Low77.2Confident60 Ų6054 Ų5439%0.3929%0.291SS..THydrogen-bonded Turntrans-54-22.4179.223.1-34.6000112V688 L692 W693 D694V688-P690 WeakPolarHBondContact O-CD 3.3Å; P690-L692 PolarHBondContact O-N 2.83Å; P690-W693 PolarHBondContact O-N 2.81Å; P690-D694 WeakPolarHBondContact O-CB 3.38Å; P690-D694 PolarHBondContact O-N 2.95Å
691T68.6Low77.1Confident64 Ų6455 Ų5539%0.39329%0.293SS..Hα-helixtrans-57.2-28.2174.164.90000113.8N689 W693 M695N689-T691 PolarHBondContact ND2-OG1 3.47Å; N689-T691 VanDerWaalsContact ND2-OG1 3.16Å; N689-T691 PolarHBondContact O-N 2.92Å; N689-T691 WeakPolarHBondContact OD1-CB 3.45Å; N689-T691 WeakPolarHBondContact OD1-CG2 3.49Å; N689-T691 PolarHBondContact OD1-N 3.22Å; N689-T691 PolarHBondContact OD1-OG1 3.32Å; T691-W693 VanDerWaalsContact C-N 3.27Å; T691-W693 PolarHBondContact O-N 2.8Å; T691-M695 WeakPolarHBondContact O-CB 3.42Å; T691-M695 WeakPolarHBondContact O-CG 3.36Å; T691-M695 PolarHBondContact O-N 2.85Å
692L76.1Confident77Confident79 Ų7957.5 Ų57.541%0.41431%0.309SS..Hα-helixtrans-57.4-43.3-179.9-178.365000112L686 N689 P690 P696L686-L692 HydrophobicContact CB-CD2 3.67Å; N689-L692 PolarHBondContact O-N 2.77Å; P690-L692 PolarHBondContact O-N 2.83Å; L692-P696 WeakPolarHBondContact O-CD 3.45Å
693W80.5Confident77.3Confident39 Ų3960.2 Ų60.215%0.14832%0.323CS..Hα-helixtrans-94-31.7-177-50112.7000112.5E678 E679 Y683 L686 P690 T691 P696E678-W693 HydrophobicContact CB-CH2 3.76Å; E678-W693 HydrophobicContact CB-CZ3 4.43Å; E679-W693 HydrophobicContact CB-CD2 3.83Å; E679-W693 HydrophobicContact CB-CE3 3.88Å; E679-W693 HydrophobicContact CB-CG 4.31Å; E679-W693 HydrophobicContact CB-CH2 4.41Å; E679-W693 HydrophobicContact CB-CZ2 4.36Å; E679-W693 HydrophobicContact CB-CZ3 4.18Å; E679-W693 HydrophobicContact CG-CB 4.2Å; E679-W693 HydrophobicContact CG-CD2 3.83Å; E679-W693 HydrophobicContact CG-CE3 4.3Å; E679-W693 HydrophobicContact CG-CG 3.76Å; Y683-W693 AromaticContact CD2-CD1 3.75Å; Y683-W693 AromaticContact CD2-NE1 3.64Å; Y683-W693 AromaticContact CE2-CD1 3.61Å; Y683-W693 AromaticContact CE2-NE1 3.94Å; L686-W693 HydrophobicContact CB-CZ2 4.17Å; L686-W693 HydrophobicContact CD1-CH2 3.47Å; L686-W693 VanDerWaalsContact CD1-CH2 3.47Å; L686-W693 HydrophobicContact CD1-CZ2 3.4Å; L686-W693 VanDerWaalsContact CD1-CZ2 3.4Å; L686-W693 HydrophobicContact CG-CZ2 4.4Å; P690-W693 PolarHBondContact O-N 2.81Å; T691-W693 VanDerWaalsContact C-N 3.27Å; T691-W693 PolarHBondContact O-N 2.8Å; W693-P696 WeakPolarHBondContact O-CD 3.45Å
694D83.9Confident77.5Confident37 Ų3758.9 Ų58.920%0.19832%0.319CS..Hα-helixtrans-71.8-33.3176.3-72.2-33.9000111.8R638 P690 R697 I698R638-D694 IonicContact NH2-OD1 3.81Å; R638-D694 PolarHBondContact NH2-OD1 3.25Å; R638-D694 IonicContact NH2-OD2 2.87Å; P690-D694 WeakPolarHBondContact O-CB 3.38Å; P690-D694 PolarHBondContact O-N 2.95Å; D694-R697 WeakPolarHBondContact O-CB 3.3Å; D694-R697 PolarHBondContact O-N 3.09Å; D694-R697 IonicContact OD1-NH1 3.03Å; D694-I698 HydrophobicContact CB-CD1 4.11Å; D694-I698 WeakPolarHBondContact O-CB 3.25Å; D694-I698 VanDerWaalsContact O-CG1 3.26Å; D694-I698 WeakPolarHBondContact O-CG1 3.03Å; D694-I698 PolarHBondContact O-N 2.81Å
695M85.3Confident78Confident103 Ų10362.4 Ų62.451%0.50734%0.338SS..Hα-helixtrans-62.6-45.1-175.4-76-64.9-64.800113.7T691 R697 I698 M699T691-M695 WeakPolarHBondContact O-CB 3.42Å; T691-M695 WeakPolarHBondContact O-CG 3.36Å; T691-M695 PolarHBondContact O-N 2.85Å; M695-R697 VanDerWaalsContact C-N 3.28Å; M695-R697 PolarHBondContact O-N 2.69Å; M695-I698 PolarHBondContact O-N 3.41Å; M695-M699 WeakPolarHBondContact O-CB 3.48Å; M695-M699 PolarHBondContact O-N 2.93Å
696P85.8Confident79.3Confident76 Ų7666.6 Ų66.649%0.49435%0.354SS..Hα-helixtrans-56.5-39.8172.8-28.135.3000113.4L692 W693 S700L692-P696 WeakPolarHBondContact O-CD 3.45Å; W693-P696 WeakPolarHBondContact O-CD 3.45Å; P696-S700 VanDerWaalsContact O-CB 3.29Å; P696-S700 WeakPolarHBondContact O-CB 3.3Å; P696-S700 PolarHBondContact O-N 2.9Å; P696-S700 PolarHBondContact O-OG 2.87Å
697R88.6Confident80.8Confident20 Ų2068.6 Ų68.68%0.07536%0.36CS..Hα-helixtrans-68.6-46.6178.3-62175.2-177.6130.42.7111.6D588 E679 D694 M695 S700 R701D588-R697 IonicContact OD1-CZ 3.29Å; D588-R697 IonicContact OD1-NE 2.76Å; D588-R697 PolarHBondContact OD1-NE 2.91Å; D588-R697 IonicContact OD1-NH2 3.92Å; D588-R697 PolarHBondContact OD1-NH2 2.78Å; D588-R697 IonicContact OD2-NH2 3.62Å; D588-R697 PolarHBondContact OD2-NH2 2.9Å; D588-R697 VanDerWaalsContact OD2-NH2 3.08Å; E679-R697 IonicContact OE1-CZ 2.85Å; E679-R697 IonicContact OE1-NH1 3.09Å; E679-R697 PolarHBondContact OE1-NH1 2.65Å; E679-R697 IonicContact OE1-NH2 2.98Å; E679-R697 PolarHBondContact OE1-NH2 2.84Å; E679-R697 IonicContact OE2-CZ 2.94Å; E679-R697 IonicContact OE2-NH1 3.31Å; E679-R697 IonicContact OE2-NH2 2.84Å; E679-R697 PolarHBondContact OE2-NH2 2.99Å; D694-R697 WeakPolarHBondContact O-CB 3.3Å; D694-R697 PolarHBondContact O-N 3.09Å; D694-R697 IonicContact OD1-NH1 3.03Å; M695-R697 VanDerWaalsContact C-N 3.28Å; M695-R697 PolarHBondContact O-N 2.69Å; R697-S700 PolarHBondContact O-N 3.25Å; R697-R701 PolarHBondContact O-N 3.2Å
698I88.5Confident82.5Confident86 Ų8671.4 Ų71.444%0.44137%0.368SS..Hα-helixtrans-60.9-47.2176-67.4165.6000110D694 M695 S700 R701 V702D694-I698 HydrophobicContact CB-CD1 4.11Å; D694-I698 WeakPolarHBondContact O-CB 3.25Å; D694-I698 VanDerWaalsContact O-CG1 3.26Å; D694-I698 WeakPolarHBondContact O-CG1 3.03Å; D694-I698 PolarHBondContact O-N 2.81Å; M695-I698 PolarHBondContact O-N 3.41Å; I698-S700 PolarHBondContact O-N 2.76Å; I698-R701 PolarHBondContact O-N 2.71Å; I698-V702 HydrophobicContact CG2-CG2 4.39Å; I698-V702 WeakPolarHBondContact O-CG2 3.39Å; I698-V702 PolarHBondContact O-N 2.73Å
699M89.3Confident84.4Confident97 Ų9771.6 Ų71.648%0.47838%0.375SS..Hα-helixtrans-64.4-41.6-179.1-169.265.9-165.300111.5M695 R701 V702 I703M695-M699 WeakPolarHBondContact O-CB 3.48Å; M695-M699 PolarHBondContact O-N 2.93Å; M699-R701 VanDerWaalsContact C-N 3.27Å; M699-R701 PolarHBondContact O-N 3.16Å; M699-V702 PolarHBondContact O-N 3.03Å; M699-I703 HydrophobicContact CE-CD1 3.91Å; M699-I703 HydrophobicContact CE-CG1 3.77Å; M699-I703 HydrophobicContact CG-CD1 3.86Å; M699-I703 HydrophobicContact CG-CG1 4.31Å; M699-I703 WeakPolarHBondContact O-CB 3.35Å; M699-I703 VanDerWaalsContact O-CG1 3.23Å; M699-I703 WeakPolarHBondContact O-CG1 3.44Å; M699-I703 PolarHBondContact O-N 2.87Å
700S88.9Confident86.2Confident38 Ų3871.9 Ų71.927%0.26637%0.373SS..Hα-helixtrans-55.7-43.8174.7-66.20000111.7P696 R697 I698 K704P696-S700 VanDerWaalsContact O-CB 3.29Å; P696-S700 WeakPolarHBondContact O-CB 3.3Å; P696-S700 PolarHBondContact O-N 2.9Å; P696-S700 PolarHBondContact O-OG 2.87Å; R697-S700 PolarHBondContact O-N 3.25Å; I698-S700 PolarHBondContact O-N 2.76Å; S700-K704 WeakPolarHBondContact O-CB 3.22Å; S700-K704 PolarHBondContact O-N 3.19Å
701R89.8Confident87.7Confident42 Ų4276.1 Ų76.116%0.15838%0.381CS..Hα-helixtrans-66.1-49.1176.5-169.9171.8-67.51183.3111.6H637 R638 Q640 P642 R697 I698 M699 I703 K704 D705H637-R701 PolarHBondContact O-NH2 3.36Å; R638-R701 PolarHBondContact O-NH2 3.14Å; Q640-R701 PolarHBondContact O-NH2 3Å; P642-R701 HydrophobicContact CG-CB 4.38Å; R697-R701 PolarHBondContact O-N 3.2Å; I698-R701 PolarHBondContact O-N 2.71Å; M699-R701 VanDerWaalsContact C-N 3.27Å; M699-R701 PolarHBondContact O-N 3.16Å; R701-I703 VanDerWaalsContact C-N 3.28Å; R701-I703 PolarHBondContact O-N 3.35Å; R701-K704 PolarHBondContact O-N 2.65Å; R701-K704 VanDerWaalsContact O-N 3.09Å; R701-D705 PolarHBondContact O-N 3.11Å
702V91.9Very high88.9Confident55 Ų5577.4 Ų77.433%0.33339%0.386SS..Hα-helixtrans-57.7-40.2177.3171.70000112.1I698 M699 K706I698-V702 HydrophobicContact CG2-CG2 4.39Å; I698-V702 WeakPolarHBondContact O-CG2 3.39Å; I698-V702 PolarHBondContact O-N 2.73Å; M699-V702 PolarHBondContact O-N 3.03Å; V702-K706 HydrophobicContact CG1-CD 4.26Å; V702-K706 WeakPolarHBondContact O-CB 3.12Å; V702-K706 VanDerWaalsContact O-CG 3.3Å; V702-K706 WeakPolarHBondContact O-CG 3.22Å; V702-K706 PolarHBondContact O-N 3.37Å; V702-K706 VanDerWaalsContact O-N 3.12Å
703I90.3Very high89.8Confident82 Ų8280.6 Ų80.642%0.42139%0.392SS..Hα-helixtrans-63.8-47.1176.7-71.1167.6000110.3F643 M699 R701 K706 F707F643-I703 HydrophobicContact CZ-CG2 4.49Å; M699-I703 HydrophobicContact CE-CD1 3.91Å; M699-I703 HydrophobicContact CE-CG1 3.77Å; M699-I703 HydrophobicContact CG-CD1 3.86Å; M699-I703 HydrophobicContact CG-CG1 4.31Å; M699-I703 WeakPolarHBondContact O-CB 3.35Å; M699-I703 VanDerWaalsContact O-CG1 3.23Å; M699-I703 WeakPolarHBondContact O-CG1 3.44Å; M699-I703 PolarHBondContact O-N 2.87Å; R701-I703 VanDerWaalsContact C-N 3.28Å; R701-I703 PolarHBondContact O-N 3.35Å; I703-K706 PolarHBondContact O-N 2.84Å; I703-F707 WeakPolarHBondContact O-CB 3.47Å; I703-F707 PolarHBondContact O-N 2.65Å
704K88.1Confident90.5Very high46 Ų4682.3 Ų82.320%0.241%0.407CS..Hα-helixtrans-61.9-48.9179.3-17874.1-175.1-158.90111.8P642 F643 S700 R701 K706 F707 E708P642-K704 HydrophobicContact CB-CB 3.69Å; P642-K704 HydrophobicContact CB-CG 3.83Å; P642-K704 HydrophobicContact CG-CB 4.49Å; P642-K704 VanDerWaalsContact O-CD 3.25Å; P642-K704 WeakPolarHBondContact O-CD 3.45Å; P642-K704 VanDerWaalsContact O-CE 3.29Å; P642-K704 WeakPolarHBondContact O-CE 3.27Å; P642-K704 WeakPolarHBondContact O-CG 3.39Å; F643-K704 HydrophobicContact CD1-CD 4.22Å; F643-K704 HydrophobicContact CE1-CB 4.46Å; F643-K704 HydrophobicContact CE1-CD 4.31Å; S700-K704 WeakPolarHBondContact O-CB 3.22Å; S700-K704 PolarHBondContact O-N 3.19Å; R701-K704 PolarHBondContact O-N 2.65Å; R701-K704 VanDerWaalsContact O-N 3.09Å; K704-K706 VanDerWaalsContact C-N 3.28Å; K704-K706 PolarHBondContact O-N 3.34Å; K704-F707 WeakPolarHBondContact O-CB 3.36Å; K704-F707 PolarHBondContact O-N 3.11Å; K704-F707 VanDerWaalsContact O-N 3.09Å; K704-E708 WeakPolarHBondContact CE-OE1 3.38Å; K704-E708 IonicContact NZ-OE1 3.62Å; K704-E708 WeakPolarHBondContact O-CG 3.45Å; K704-E708 PolarHBondContact O-N 3.24Å
705D90.3Very high91.1Very high85 Ų8583.7 Ų83.746%0.45541%0.414SS..Hα-helixtrans-59.2-41.8-179.5-62.7-14.2000111R701 E708 A709R701-D705 PolarHBondContact O-N 3.11Å; D705-E708 PolarHBondContact O-N 2.96Å; D705-A709 WeakPolarHBondContact O-CB 3.49Å; D705-A709 PolarHBondContact O-N 3.22Å
706K93.4Very high91.5Very high141 Ų14184.8 Ų84.861%0.61342%0.417SS*.Hα-helixtrans-65.1-42.7174.9-76.5-179.5178.3-175.90112.5V702 I703 K704 E708 A709 E710V702-K706 HydrophobicContact CG1-CD 4.26Å; V702-K706 WeakPolarHBondContact O-CB 3.12Å; V702-K706 VanDerWaalsContact O-CG 3.3Å; V702-K706 WeakPolarHBondContact O-CG 3.22Å; V702-K706 PolarHBondContact O-N 3.37Å; V702-K706 VanDerWaalsContact O-N 3.12Å; I703-K706 PolarHBondContact O-N 2.84Å; K704-K706 VanDerWaalsContact C-N 3.28Å; K704-K706 PolarHBondContact O-N 3.34Å; K706-E708 VanDerWaalsContact C-N 3.35Å; K706-A709 PolarHBondContact O-N 3.03Å; K706-E710 PolarHBondContact O-N 3.45Å
707F91.5Very high92Very high123 Ų12386.2 Ų86.254%0.53942%0.421SS..Hα-helixtrans-61.8-44.1176.9173.7-94.7000111.3I703 K704 E710 R711I703-F707 WeakPolarHBondContact O-CB 3.47Å; I703-F707 PolarHBondContact O-N 2.65Å; K704-F707 WeakPolarHBondContact O-CB 3.36Å; K704-F707 PolarHBondContact O-N 3.11Å; K704-F707 VanDerWaalsContact O-N 3.09Å; F707-E710 PolarHBondContact O-N 3.21Å; F707-R711 VanDerWaalsContact O-CB 3.31Å; F707-R711 WeakPolarHBondContact O-CB 3.4Å; F707-R711 PolarHBondContact O-N 3.1Å
708E89.7Confident92.4Very high78 Ų7893.4 Ų93.436%0.36445%0.448SS..Hα-helixtrans-66.1-40.8177.4-71.3-176.6168.200112.2K704 D705 K706 E710 R711 N712K704-E708 WeakPolarHBondContact CE-OE1 3.38Å; K704-E708 IonicContact NZ-OE1 3.62Å; K704-E708 WeakPolarHBondContact O-CG 3.45Å; K704-E708 PolarHBondContact O-N 3.24Å; D705-E708 PolarHBondContact O-N 2.96Å; K706-E708 VanDerWaalsContact C-N 3.35Å; E708-E710 PolarHBondContact O-N 3.39Å; E708-R711 PolarHBondContact O-N 3.48Å; E708-N712 WeakPolarHBondContact O-CB 3.28Å; E708-N712 PolarHBondContact O-N 2.92Å; E708-N712 PolarHBondContact O-ND2 3.08Å
709A93.6Very high92.7Very high57 Ų5796.1 Ų96.147%0.47146%0.456SS..Hα-helixtrans-59.5-46.5174.500000112.1D705 K706 N712 R713D705-A709 WeakPolarHBondContact O-CB 3.49Å; D705-A709 PolarHBondContact O-N 3.22Å; K706-A709 PolarHBondContact O-N 3.03Å; A709-N712 PolarHBondContact O-N 3.1Å; A709-R713 WeakPolarHBondContact O-CB 3.5Å; A709-R713 PolarHBondContact O-N 2.86Å
710E95Very high93Very high101 Ų10194.8 Ų94.847%0.47245%0.454SS..Hα-helixtrans-69.6-35.4176.9-77.5-59.615400112.8K706 F707 E708 R713 T714K706-E710 PolarHBondContact O-N 3.45Å; F707-E710 PolarHBondContact O-N 3.21Å; E708-E710 PolarHBondContact O-N 3.39Å; E710-R713 PolarHBondContact O-N 2.71Å; E710-R713 IonicContact OE1-NH1 2.83Å; E710-T714 WeakPolarHBondContact O-CB 3.18Å; E710-T714 PolarHBondContact O-N 2.93Å; E710-T714 PolarHBondContact O-OG1 2.92Å
711R92.2Very high93.3Very high150 Ų15098.3 Ų98.357%0.56647%0.469SS*.Hα-helixtrans-60.7-47.4172.2-179.2-176.4175.5-167-2.1110.8F707 E708 T714 I715F707-R711 VanDerWaalsContact O-CB 3.31Å; F707-R711 WeakPolarHBondContact O-CB 3.4Å; F707-R711 PolarHBondContact O-N 3.1Å; E708-R711 PolarHBondContact O-N 3.48Å; R711-T714 WeakPolarHBondContact O-CB 3.4Å; R711-T714 PolarHBondContact O-N 2.99Å; R711-I715 HydrophobicContact CG-CD1 4.1Å; R711-I715 WeakPolarHBondContact O-CG1 3.33Å; R711-I715 PolarHBondContact O-N 3.44Å
712N94.2Very high93.5Very high91 Ų91100 Ų10049%0.48748%0.481SS..Hα-helixtrans-63.6-43.4179.3-71.2-17.9000111.3E708 A709 T714 I715 E716E708-N712 WeakPolarHBondContact O-CB 3.28Å; E708-N712 PolarHBondContact O-N 2.92Å; E708-N712 PolarHBondContact O-ND2 3.08Å; A709-N712 PolarHBondContact O-N 3.1Å; N712-T714 VanDerWaalsContact C-N 3.31Å; N712-T714 PolarHBondContact O-N 3.3Å; N712-I715 WeakPolarHBondContact O-CB 3.17Å; N712-I715 PolarHBondContact O-N 3.46Å; N712-E716 WeakPolarHBondContact O-CG 3.34Å; N712-E716 PolarHBondContact O-N 3.41Å
713R95.9Very high93.7Very high146 Ų146102.7 Ų102.755%0.55149%0.49SS*.Hα-helixtrans-59.1-41.6173.2-172.2-178-174.9179.32112.4A709 E710 I715 E716 L717A709-R713 WeakPolarHBondContact O-CB 3.5Å; A709-R713 PolarHBondContact O-N 2.86Å; E710-R713 PolarHBondContact O-N 2.71Å; E710-R713 IonicContact OE1-NH1 2.83Å; R713-I715 VanDerWaalsContact C-N 3.34Å; R713-E716 PolarHBondContact O-N 2.9Å; R713-L717 HydrophobicContact CG-CD1 4.28Å; R713-L717 WeakPolarHBondContact O-CB 3.42Å; R713-L717 WeakPolarHBondContact O-CG 3.35Å; R713-L717 PolarHBondContact O-N 3.49Å
714T95.4Very high93.9Very high75 Ų75103.3 Ų103.346%0.4649%0.494SS..Hα-helixtrans-64.3-40.3176.7-58.30000111.5E710 R711 N712 R718E710-T714 WeakPolarHBondContact O-CB 3.18Å; E710-T714 PolarHBondContact O-N 2.93Å; E710-T714 PolarHBondContact O-OG1 2.92Å; R711-T714 WeakPolarHBondContact O-CB 3.4Å; R711-T714 PolarHBondContact O-N 2.99Å; N712-T714 VanDerWaalsContact C-N 3.31Å; N712-T714 PolarHBondContact O-N 3.3Å; T714-R718 WeakPolarHBondContact O-CB 3.48Å; T714-R718 PolarHBondContact O-N 3.42Å
715I94.7Very high94Very high66 Ų66105.1 Ų105.134%0.33850%0.504SS..Hα-helixtrans-63.2-44.1174.9-69165.1000110.6R711 N712 R713 R718 K719R711-I715 HydrophobicContact CG-CD1 4.1Å; R711-I715 WeakPolarHBondContact O-CG1 3.33Å; R711-I715 PolarHBondContact O-N 3.44Å; N712-I715 WeakPolarHBondContact O-CB 3.17Å; N712-I715 PolarHBondContact O-N 3.46Å; R713-I715 VanDerWaalsContact C-N 3.34Å; I715-R718 PolarHBondContact O-N 3.36Å; I715-K719 HydrophobicContact CG2-CD 4.44Å; I715-K719 WeakPolarHBondContact O-CG 3.31Å; I715-K719 PolarHBondContact O-N 2.82Å
716E95.4Very high94.1Very high125 Ų125105.3 Ų105.358%0.58451%0.505SS*.Hα-helixtrans-63.4-48.1176.6-73-177.9170.900112.1N712 R713 R718 K719 T720N712-E716 WeakPolarHBondContact O-CG 3.34Å; N712-E716 PolarHBondContact O-N 3.41Å; R713-E716 PolarHBondContact O-N 2.9Å; E716-R718 VanDerWaalsContact C-N 3.28Å; E716-R718 PolarHBondContact O-N 2.9Å; E716-K719 WeakPolarHBondContact O-CA 3.43Å; E716-K719 WeakPolarHBondContact O-CB 3.49Å; E716-K719 PolarHBondContact O-N 3.34Å; E716-T720 PolarHBondContact O-N 3.35Å; E716-T720 PolarHBondContact O-OG1 3.33Å
717L96.4Very high94.1Very high107 Ų107103.1 Ų103.156%0.5650%0.497SS*.Hα-helixtrans-59.2-39.4176.2-74172.1000112R713 K719 T720 L721R713-L717 HydrophobicContact CG-CD1 4.28Å; R713-L717 WeakPolarHBondContact O-CB 3.42Å; R713-L717 WeakPolarHBondContact O-CG 3.35Å; R713-L717 PolarHBondContact O-N 3.49Å; L717-K719 VanDerWaalsContact C-N 3.35Å; L717-T720 PolarHBondContact O-N 2.82Å; L717-L721 VanDerWaalsContact O-CB 3.26Å; L717-L721 WeakPolarHBondContact O-CB 3.31Å; L717-L721 PolarHBondContact O-N 2.87Å
718R95.4Very high94.2Very high171 Ų17198.1 Ų98.165%0.64548%0.479SS*.Hα-helixtrans-63.3-40.8174.4-175177.8-69.5-162.7-2.4111.5T714 I715 E716 N722T714-R718 WeakPolarHBondContact O-CB 3.48Å; T714-R718 PolarHBondContact O-N 3.42Å; I715-R718 PolarHBondContact O-N 3.36Å; E716-R718 VanDerWaalsContact C-N 3.28Å; E716-R718 PolarHBondContact O-N 2.9Å; R718-N722 WeakPolarHBondContact O-CB 3.33Å; R718-N722 PolarHBondContact O-N 3.28Å; R718-N722 PolarHBondContact O-ND2 3.45Å
719K95.3Very high94.3Very high143 Ų14396.6 Ų96.662%0.62247%0.472SS*.Hα-helixtrans-63.7-46.9175-72.1174.4-179.5178.70111.3I715 E716 L717 N722 Q723I715-K719 HydrophobicContact CG2-CD 4.44Å; I715-K719 WeakPolarHBondContact O-CG 3.31Å; I715-K719 PolarHBondContact O-N 2.82Å; E716-K719 WeakPolarHBondContact O-CA 3.43Å; E716-K719 WeakPolarHBondContact O-CB 3.49Å; E716-K719 PolarHBondContact O-N 3.34Å; L717-K719 VanDerWaalsContact C-N 3.35Å; K719-N722 PolarHBondContact O-N 3.1Å; K719-Q723 PolarHBondContact O-N 2.85Å
720T96.2Very high94.3Very high69 Ų69100.6 Ų100.642%0.42349%0.486SS..Hα-helixtrans-62.9-43177.4-550000111.9E716 L717 Q723 L724E716-T720 PolarHBondContact O-N 3.35Å; E716-T720 PolarHBondContact O-OG1 3.33Å; L717-T720 PolarHBondContact O-N 2.82Å; T720-Q723 PolarHBondContact O-N 3.19Å; T720-L724 HydrophobicContact CG2-CD1 4.07Å; T720-L724 HydrophobicContact CG2-CG 4.4Å; T720-L724 WeakPolarHBondContact O-CG 3.31Å; T720-L724 PolarHBondContact O-N 2.93Å
721L94.8Very high94.2Very high112 Ų11299.1 Ų99.159%0.58649%0.491SS*.Hα-helixtrans-61.3-46.8176.8-179.164.2000111.2L717 Q723 L724 M725L717-L721 VanDerWaalsContact O-CB 3.26Å; L717-L721 WeakPolarHBondContact O-CB 3.31Å; L717-L721 PolarHBondContact O-N 2.87Å; L721-Q723 VanDerWaalsContact C-N 3.29Å; L721-Q723 PolarHBondContact O-N 3.34Å; L721-L724 PolarHBondContact O-N 2.92Å; L721-M725 VanDerWaalsContact O-CB 3.29Å; L721-M725 WeakPolarHBondContact O-CB 3.46Å; L721-M725 PolarHBondContact O-N 3.46Å
722N94.1Very high94.1Very high77 Ų7794.5 Ų94.541%0.41249%0.49SS..Hα-helixtrans-61.3-38.6176.6-73.5-18.2000111.9R718 K719 N726R718-N722 WeakPolarHBondContact O-CB 3.33Å; R718-N722 PolarHBondContact O-N 3.28Å; R718-N722 PolarHBondContact O-ND2 3.45Å; K719-N722 PolarHBondContact O-N 3.1Å; N722-N726 VanDerWaalsContact O-CG 3.22Å; N722-N726 PolarHBondContact O-N 2.97Å; N722-N726 VanDerWaalsContact O-N 3.1Å; N722-N726 PolarHBondContact O-ND2 3.47Å
723Q94.8Very high93.9Very high112 Ų11296.5 Ų96.552%0.52350%0.499SS..Hα-helixtrans-65.1-49.7175.6-177.3-177.6-13.500111.8K719 T720 L721 M725 N726 E727K719-Q723 PolarHBondContact O-N 2.85Å; T720-Q723 PolarHBondContact O-N 3.19Å; L721-Q723 VanDerWaalsContact C-N 3.29Å; L721-Q723 PolarHBondContact O-N 3.34Å; Q723-M725 VanDerWaalsContact C-N 3.28Å; Q723-M725 PolarHBondContact O-N 2.65Å; Q723-N726 WeakPolarHBondContact O-CB 3.5Å; Q723-N726 PolarHBondContact O-N 3.37Å; Q723-N726 VanDerWaalsContact O-N 3.15Å; Q723-E727 WeakPolarHBondContact CG-OE1 3.32Å; Q723-E727 PolarHBondContact NE2-OE1 3.43Å; Q723-E727 WeakPolarHBondContact O-CG 3.13Å; Q723-E727 PolarHBondContact O-N 2.88Å
724L94.8Very high93.3Very high95 Ų9593.1 Ų93.150%0.49749%0.492SS..Hα-helixtrans-62.5-37178.4-72.2173000112.1T720 L721 N726 E727 A728T720-L724 HydrophobicContact CG2-CD1 4.07Å; T720-L724 HydrophobicContact CG2-CG 4.4Å; T720-L724 WeakPolarHBondContact O-CG 3.31Å; T720-L724 PolarHBondContact O-N 2.93Å; L721-L724 PolarHBondContact O-N 2.92Å; L724-N726 VanDerWaalsContact C-N 3.35Å; L724-E727 PolarHBondContact O-N 3.01Å; L724-A728 VanDerWaalsContact O-CB 3.29Å; L724-A728 WeakPolarHBondContact O-CB 3.49Å; L724-A728 PolarHBondContact O-N 3.11Å
725M92Very high92.7Very high83 Ų8395.8 Ų95.841%0.40950%0.498SS..Hα-helixtrans-61.1-45.2174.5-170.8178.276.600110.7L721 Q723 A728 I729L721-M725 VanDerWaalsContact O-CB 3.29Å; L721-M725 WeakPolarHBondContact O-CB 3.46Å; L721-M725 PolarHBondContact O-N 3.46Å; Q723-M725 VanDerWaalsContact C-N 3.28Å; Q723-M725 PolarHBondContact O-N 2.65Å; M725-A728 PolarHBondContact O-N 3.27Å; M725-I729 HydrophobicContact CG-CD1 4.18Å; M725-I729 WeakPolarHBondContact O-CB 3.21Å; M725-I729 WeakPolarHBondContact O-CD1 3Å; M725-I729 VanDerWaalsContact O-CG1 3.23Å; M725-I729 WeakPolarHBondContact O-CG1 3.49Å; M725-I729 PolarHBondContact O-N 3.36Å
726N91.8Very high91.7Very high89 Ų8997.9 Ų97.948%0.47651%0.514SS..Hα-helixtrans-63.2-43.5174.9-67.2-24000112.1N722 Q723 L724 A728 I729 D730N722-N726 VanDerWaalsContact O-CG 3.22Å; N722-N726 PolarHBondContact O-N 2.97Å; N722-N726 VanDerWaalsContact O-N 3.1Å; N722-N726 PolarHBondContact O-ND2 3.47Å; Q723-N726 WeakPolarHBondContact O-CB 3.5Å; Q723-N726 PolarHBondContact O-N 3.37Å; Q723-N726 VanDerWaalsContact O-N 3.15Å; L724-N726 VanDerWaalsContact C-N 3.35Å; N726-A728 PolarHBondContact O-N 3.24Å; N726-I729 WeakPolarHBondContact O-CB 3.4Å; N726-I729 PolarHBondContact O-N 3.06Å; N726-D730 PolarHBondContact O-N 3.44Å
727E93.8Very high90.2Very high95 Ų9599.5 Ų99.544%0.44453%0.527SS..Hα-helixtrans-63.6-39.1177.5-71.7174.3-16300112.3Q723 L724 D730 A731Q723-E727 WeakPolarHBondContact CG-OE1 3.32Å; Q723-E727 PolarHBondContact NE2-OE1 3.43Å; Q723-E727 WeakPolarHBondContact O-CG 3.13Å; Q723-E727 PolarHBondContact O-N 2.88Å; L724-E727 PolarHBondContact O-N 3.01Å; E727-D730 PolarHBondContact O-N 2.85Å; E727-A731 WeakPolarHBondContact O-CB 3.31Å; E727-A731 PolarHBondContact O-N 3.21Å
728A93.1Very high88Confident19 Ų19103 Ų10316%0.15755%0.546CS..Hα-helixtrans-70.3-33.3176.400000112.5L724 M725 N726 G732 I733 L734L724-A728 VanDerWaalsContact O-CB 3.29Å; L724-A728 WeakPolarHBondContact O-CB 3.49Å; L724-A728 PolarHBondContact O-N 3.11Å; M725-A728 PolarHBondContact O-N 3.27Å; N726-A728 PolarHBondContact O-N 3.24Å; A728-G732 PolarHBondContact O-N 3.44Å; A728-I733 HydrophobicContact CB-CB 4.39Å; A728-I733 PolarHBondContact O-N 2.84Å; A728-L734 HydrophobicContact CB-CB 4.23Å; A728-L734 HydrophobicContact CB-CD1 3.69Å; A728-L734 HydrophobicContact CB-CG 4.05Å; A728-L734 PolarHBondContact O-N 2.86Å; A728-L734 VanDerWaalsContact O-N 3.16Å
729I92.4Very high87.6Confident46 Ų4699.6 Ų99.624%0.23654%0.541CS..Hα-helixtrans-62.8-47.9169-72.4162.7000110M725 N726 A731 G732 L734 V736M725-I729 HydrophobicContact CG-CD1 4.18Å; M725-I729 WeakPolarHBondContact O-CB 3.21Å; M725-I729 WeakPolarHBondContact O-CD1 3Å; M725-I729 VanDerWaalsContact O-CG1 3.23Å; M725-I729 WeakPolarHBondContact O-CG1 3.49Å; M725-I729 PolarHBondContact O-N 3.36Å; N726-I729 WeakPolarHBondContact O-CB 3.4Å; N726-I729 PolarHBondContact O-N 3.06Å; I729-A731 VanDerWaalsContact C-N 3.31Å; I729-A731 PolarHBondContact O-N 2.87Å; I729-G732 PolarHBondContact O-N 3.35Å; I729-L734 WeakPolarHBondContact CA-O 3.46Å; I729-L734 HydrophobicContact CG1-CB 4.19Å; I729-V736 HydrophobicContact CD1-CG2 4.2Å; I729-V736 HydrophobicContact CG1-CG2 4.29Å; I729-V736 HydrophobicContact CG2-CG2 3.53Å
730D91.8Very high87.2Confident141 Ų14197.3 Ų97.375%0.75454%0.537SS*.Hα-helixtrans-63.4-35179-73.1-19.2000112.6N726 E727 G732N726-D730 PolarHBondContact O-N 3.44Å; E727-D730 PolarHBondContact O-N 2.85Å; D730-G732 PolarHBondContact O-N 2.83Å
731A93.1Very high86.7Confident70 Ų7098.8 Ų98.858%0.57954%0.543SS*.THydrogen-bonded Turntrans-77.3-5.6175.200000113.9E727 I729 I733E727-A731 WeakPolarHBondContact O-CB 3.31Å; E727-A731 PolarHBondContact O-N 3.21Å; I729-A731 VanDerWaalsContact C-N 3.31Å; I729-A731 PolarHBondContact O-N 2.87Å; A731-I733 VanDerWaalsContact C-N 3.29Å; A731-I733 HydrophobicContact CB-CD1 3.93Å; A731-I733 HydrophobicContact CB-CG1 3.99Å; A731-I733 PolarHBondContact O-N 3.25Å
732G90.6Very high86.3Confident52 Ų5298.1 Ų98.154%0.53654%0.54SS..THydrogen-bonded Turntrans71.420.2-176.900000114.4A728 I729 D730A728-G732 PolarHBondContact O-N 3.44Å; I729-G732 PolarHBondContact O-N 3.35Å; D730-G732 PolarHBondContact O-N 2.83Å
733I90.4Very high85.8Confident133 Ų13399.4 Ų99.468%0.68255%0.548SS*.SBendtrans-85.6-37.9178.4-59.3172.6000110.7A728 A731A728-I733 HydrophobicContact CB-CB 4.39Å; A728-I733 PolarHBondContact O-N 2.84Å; A731-I733 VanDerWaalsContact C-N 3.29Å; A731-I733 HydrophobicContact CB-CD1 3.93Å; A731-I733 HydrophobicContact CB-CG1 3.99Å; A731-I733 PolarHBondContact O-N 3.25Å
734L84.1Confident85.2Confident76 Ų7698.5 Ų98.540%0.39855%0.55SS..SBendtrans-114.4138.4175.2-75.5170.8000109.8A728 I729A728-L734 HydrophobicContact CB-CB 4.23Å; A728-L734 HydrophobicContact CB-CD1 3.69Å; A728-L734 HydrophobicContact CB-CG 4.05Å; A728-L734 PolarHBondContact O-N 2.86Å; A728-L734 VanDerWaalsContact O-N 3.16Å; I729-L734 WeakPolarHBondContact CA-O 3.46Å; I729-L734 HydrophobicContact CG1-CB 4.19Å
735H81.5Confident84.5Confident130 Ų13098.8 Ų98.860%0.60255%0.554SS**  trans-94137.6173.2-70.1-64.7000109.7N737 D738H735-N737 PolarHBondContact O-N 3.14Å; H735-D738 PolarHBondContact O-N 2.82Å
736V73.2Confident83.9Confident110 Ų110100 Ų10067%0.66757%0.565SS**THydrogen-bonded Turntrans-55.3-13.3-177.6-176.10000114.1I729I729-V736 HydrophobicContact CD1-CG2 4.2Å; I729-V736 HydrophobicContact CG1-CG2 4.29Å; I729-V736 HydrophobicContact CG2-CG2 3.53Å
737N65.9Low83.3Confident159 Ų159100.9 Ų100.985%0.8557%0.572SS**THydrogen-bonded Turntrans-105.20.1-177.6-65.9-18.8000114.6H735H735-N737 PolarHBondContact O-N 3.14Å
738D49.5Very low82.3Confident180 Ų180101.5 Ų101.596%0.96358%0.584SS**  trans-97.70166.4-68.7-31.5000109.5H735H735-D738 PolarHBondContact O-N 2.82Å

Retrieved 738 of 738 residues in 133.7 ms (Link to these results)

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