A0A087XQ92_POEFO Loading...

Adenylate kinase 7b

AlphaFold DB , UniProt , Accession A0A087XQ92, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 696 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
1M30.9Very low52.2Low235 Ų235136.3 Ų136.3100%1.15870%0.701SS**  0114.60-69.8-161.517200107.9
2P34.8Very low55.6Low127 Ų127124.9 Ų124.983%0.82564%0.642SS**  trans-84.1132.1172.132-26.3000109.1K4P2-K4 PolarHBondContact O-N 3.16Å
3H32.9Very low58.6Low175 Ų175115.3 Ų115.381%0.8159%0.593SS**  trans-59.7116.9173.8-75.8-87.2000109.5H5H3-H5 PolarHBondContact O-N 2.88Å
4K36.5Very low61.2Low204 Ų204107.1 Ų107.189%0.88755%0.551SS**  trans-64.1100.9164.8-76.3-177.8176.5-177.80107.4P2 K6P2-K4 PolarHBondContact O-N 3.16Å; K4-K6 PolarHBondContact O-N 3.2Å
5H34.8Very low63.3Low181 Ų181100.1 Ų100.184%0.83852%0.515SS*.  trans-58.7110.5162.2-79.5-75.6000107.4H3 A7H3-H5 PolarHBondContact O-N 2.88Å; H5-A7 PolarHBondContact O-N 2.91Å; H5-A7 VanDerWaalsContact O-N 3.1Å
6K39.3Very low65Low190 Ų19094.9 Ų94.983%0.82649%0.488SS*.  trans-64.1108.5164.9-85.3-176.8173.3-176.90106.3K4 T8K4-K6 PolarHBondContact O-N 3.2Å; K6-T8 PolarHBondContact O-N 3.28Å
7A53.7Low66.4Low96 Ų9689.5 Ų89.579%0.79346%0.46SS*.PPolyproline II helixtrans-59.5128.3170.700000108.4H5H5-A7 PolarHBondContact O-N 2.91Å; H5-A7 VanDerWaalsContact O-N 3.1Å
8T60.5Low67.5Low125 Ų12586.8 Ų86.877%0.76745%0.447SS*.PPolyproline II helixtrans-62.9134.3170.146.50000108.5K6 K10K6-T8 PolarHBondContact O-N 3.28Å; T8-K10 PolarHBondContact O-N 2.99Å
9P74.1Confident68.6Low47 Ų4783.8 Ų83.831%0.30543%0.434SS..PPolyproline II helixtrans-61.1137.3179.724.8-32.5000110.4A65 Q67P9-A65 CarbonylContact C-O 3.49Å; P9-A65 WeakPolarHBondContact CA-O 3.28Å; P9-Q67 HydrophobicContact CB-CG 3.99Å; P9-Q67 HydrophobicContact CG-CG 4.19Å
10K85.4Confident69.6Low87 Ų8781.5 Ų81.538%0.37842%0.42SS..EExtended strand (participates in β ladder)trans-78.9130.1174-71.1-179178.8-178.50108.8T8 A65 F66 Q67T8-K10 PolarHBondContact O-N 2.99Å; K10-A65 PolarHBondContact N-O 2.66Å; K10-F66 HydrophobicContact CB-CD1 3.82Å; K10-F66 HydrophobicContact CB-CE1 3.98Å; K10-F66 HydrophobicContact CD-CE1 3.96Å; K10-F66 CarbonylContact O-C 3.52Å; K10-F66 VanDerWaalsContact O-CA 3.28Å; K10-F66 WeakPolarHBondContact O-CA 3.15Å; K10-Q67 PolarHBondContact O-N 3.46Å
11R91Very high70.6Confident32 Ų3277.6 Ų77.612%0.12140%0.4CS..EExtended strand (participates in β ladder)trans-84.3126.3173.8-162.5175.4-176.4-165-1.8109.9Q67 V69 E85 Y87 E101 Q103 V104R11-Q67 CarbonylContact C-O 3.53Å; R11-Q67 WeakPolarHBondContact CA-O 3.5Å; R11-V69 HydrophobicContact CG-CG1 4.37Å; R11-V69 HydrophobicContact CG-CG2 4.12Å; R11-E85 IonicContact CZ-OE2 3.23Å; R11-E85 IonicContact NH2-OE1 3.31Å; R11-E85 IonicContact NH2-OE2 3.83Å; R11-E85 PolarHBondContact NH2-OE2 3.18Å; R11-Y87 PolarHBondContact NH2-OH 3.33Å; R11-E101 IonicContact CZ-OE2 3.53Å; R11-E101 VanDerWaalsContact NH1-CB 3.26Å; R11-E101 IonicContact NH1-OE2 2.9Å; R11-E101 PolarHBondContact NH1-OE2 2.72Å; R11-E101 IonicContact NH2-OE2 3.2Å; R11-E101 PolarHBondContact NH2-OE2 3.33Å; R11-Q103 PolarHBondContact O-N 3Å; R11-V104 PolarHBondContact O-N 3.45Å
12V93.1Very high73.4Confident0 Ų066.5 Ų66.50%035%0.345CS..EExtended strand (participates in β ladder)trans-117.2119.8-175.7-175.20000108.3I14 V29 F66 Q67 V68 V69 V104 I106V12-I14 HydrophobicContact CG1-CD1 4.49Å; V12-I14 HydrophobicContact CG1-CG1 4.12Å; V12-V29 HydrophobicContact CG2-CG1 4.48Å; V12-F66 HydrophobicContact CG2-CB 4.1Å; V12-F66 HydrophobicContact CG2-CD1 3.55Å; V12-F66 HydrophobicContact CG2-CE1 4.37Å; V12-F66 HydrophobicContact CG2-CG 4.18Å; V12-Q67 PolarHBondContact N-O 3.3Å; V12-V68 WeakPolarHBondContact O-CA 3.39Å; V12-V69 PolarHBondContact O-N 3.11Å; V12-V104 CarbonylContact C-O 3.57Å; V12-V104 WeakPolarHBondContact CA-O 3.46Å; V12-V104 HydrophobicContact CB-CB 4.4Å; V12-V104 HydrophobicContact CG1-CB 4.12Å; V12-V104 HydrophobicContact CG1-CG1 4.11Å; V12-V104 HydrophobicContact CG2-CB 4.11Å; V12-V104 HydrophobicContact CG2-CG2 4.45Å; V12-I106 HydrophobicContact CG1-CD1 3.71Å; V12-I106 HydrophobicContact CG1-CG1 4.21Å
13F95.1Very high76.1Confident0 Ų065.9 Ų65.90%033%0.327CS..EExtended strand (participates in β ladder)trans-89.2135.4170177.8-89.9000110.2N15 V69 T71 Y87 L95 L99 C102 V104 I105 I106 Y107F13-N15 HydrophobicContact CE1-CB 4.14Å; F13-V69 CarbonylContact C-O 3.49Å; F13-V69 VanDerWaalsContact CA-O 3.23Å; F13-V69 WeakPolarHBondContact CA-O 3.31Å; F13-V69 HydrophobicContact CB-CG2 4.37Å; F13-V69 HydrophobicContact CD2-CG2 4.39Å; F13-T71 HydrophobicContact CE2-CG2 4.17Å; F13-T71 HydrophobicContact CZ-CG2 3.94Å; F13-Y87 HydrophobicContact CE2-CD2 4.46Å; F13-L95 HydrophobicContact CE2-CD1 3.86Å; F13-L95 HydrophobicContact CZ-CD1 3.77Å; F13-L99 HydrophobicContact CB-CD2 4.14Å; F13-L99 HydrophobicContact CD1-CD2 3.44Å; F13-L99 VanDerWaalsContact CD1-CD2 3.44Å; F13-L99 HydrophobicContact CD2-CD2 3.92Å; F13-L99 HydrophobicContact CE1-CD2 3.7Å; F13-L99 HydrophobicContact CE2-CD2 4.16Å; F13-L99 HydrophobicContact CG-CD2 3.55Å; F13-L99 HydrophobicContact CZ-CD2 4.05Å; F13-C102 HydrophobicContact CB-CB 4.11Å; F13-V104 PolarHBondContact N-O 3.01Å; F13-I105 HydrophobicContact CB-CG1 4.32Å; F13-I105 HydrophobicContact CD1-CG2 4.04Å; F13-I106 PolarHBondContact O-N 2.64Å; F13-Y107 HydrophobicContact CD1-CE2 4.35Å; F13-Y107 HydrophobicContact CE1-CE1 4.49Å; F13-Y107 AromaticContact CE1-CE2 3.88Å; F13-Y107 HydrophobicContact CE1-CE2 3.88Å; F13-Y107 AromaticContact CE1-CZ 3.83Å
14I94.5Very high78.8Confident1 Ų158.3 Ų58.31%0.00529%0.292CS..EExtended strand (participates in β ladder)trans-131.5130.5171.9-53.8-178000108.3V12 I17 V25 A26 V68 V69 G70 T71 I106V12-I14 HydrophobicContact CG1-CD1 4.49Å; V12-I14 HydrophobicContact CG1-CG1 4.12Å; I14-I17 HydrophobicContact CB-CD1 4.3Å; I14-I17 HydrophobicContact CB-CG1 3.94Å; I14-I17 HydrophobicContact CG2-CG1 4.22Å; I14-I17 WeakPolarHBondContact O-CG1 3.4Å; I14-V25 HydrophobicContact CD1-CG1 4.36Å; I14-A26 HydrophobicContact CD1-CB 3.87Å; I14-V68 HydrophobicContact CD1-CG1 3.86Å; I14-V68 HydrophobicContact CG1-CG1 4.22Å; I14-V69 PolarHBondContact N-O 3.03Å; I14-G70 WeakPolarHBondContact O-CA 3.23Å; I14-T71 PolarHBondContact O-N 2.98Å; I14-I106 WeakPolarHBondContact CA-O 3.24Å; I14-I106 HydrophobicContact CD1-CD1 4.26Å; I14-I106 HydrophobicContact CG1-CB 4.18Å; I14-I106 HydrophobicContact CG1-CD1 4.09Å
15N93.7Very high81.3Confident1 Ų148.7 Ų48.71%0.00525%0.25CS..SBendtrans-78.4148.5174.874.3-47.9000111.9F13 I17 S22 T71 I106 Y107 N108 Q115F13-N15 HydrophobicContact CE1-CB 4.14Å; N15-I17 PolarHBondContact O-N 2.95Å; N15-S22 WeakPolarHBondContact O-CB 3.43Å; N15-S22 PolarHBondContact O-OG 2.73Å; N15-S22 VanDerWaalsContact O-OG 3.05Å; N15-T71 WeakPolarHBondContact CA-OG1 3.26Å; N15-I106 PolarHBondContact N-O 3.13Å; N15-I106 PolarHBondContact OD1-O 2.78Å; N15-Y107 HydrophobicContact CB-CD1 3.76Å; N15-Y107 HydrophobicContact CB-CE1 3.71Å; N15-Y107 VanDerWaalsContact OD1-CA 3.3Å; N15-Y107 WeakPolarHBondContact OD1-CA 3.44Å; N15-N108 PolarHBondContact ND2-O 2.95Å; N15-N108 PolarHBondContact OD1-N 3.38Å; N15-Q115 PolarHBondContact ND2-OE1 2.83Å
16N89.9Confident83.9Confident18 Ų1840 Ų4010%0.09621%0.211CC..  trans44.660.4178.2-65.24.4000112.2D18 S19 S22 T71 Q115N16-D18 VanDerWaalsContact C-OD1 3.29Å; N16-D18 WeakPolarHBondContact CA-OD1 3.46Å; N16-D18 PolarHBondContact O-N 3.35Å; N16-D18 VanDerWaalsContact O-N 3.13Å; N16-S19 VanDerWaalsContact O-CB 3.29Å; N16-S19 WeakPolarHBondContact O-CB 3.32Å; N16-S19 PolarHBondContact O-N 3.08Å; N16-S19 PolarHBondContact O-OG 2.9Å; N16-S22 VanDerWaalsContact O-CB 3.22Å; N16-S22 WeakPolarHBondContact O-CB 3.26Å; N16-T71 CarbonylContact C-O 3.59Å; N16-T71 WeakPolarHBondContact CA-O 3.36Å; N16-T71 PolarHBondContact N-O 3.47Å; N16-T71 VanDerWaalsContact N-O 3.14Å; N16-T71 PolarHBondContact N-OG1 2.85Å; N16-Q115 PolarHBondContact ND2-NE2 3.29Å
17I88.1Confident86.2Confident2 Ų235.5 Ų35.51%0.0119%0.191CC..THydrogen-bonded Turntrans-61.5-21.9-178.1-60.9177.1000111.6I14 N15 S19 R23 A26 V68 T71 V72 I83I14-I17 HydrophobicContact CB-CD1 4.3Å; I14-I17 HydrophobicContact CB-CG1 3.94Å; I14-I17 HydrophobicContact CG2-CG1 4.22Å; I14-I17 WeakPolarHBondContact O-CG1 3.4Å; N15-I17 PolarHBondContact O-N 2.95Å; I17-S19 VanDerWaalsContact C-N 3.27Å; I17-S19 PolarHBondContact O-N 2.98Å; I17-R23 WeakPolarHBondContact O-CA 3.48Å; I17-R23 WeakPolarHBondContact O-CB 3.35Å; I17-R23 PolarHBondContact O-N 2.99Å; I17-A26 HydrophobicContact CG2-CB 3.96Å; I17-V68 HydrophobicContact CD1-CG1 4.1Å; I17-T71 PolarHBondContact N-O 3.25Å; I17-V72 HydrophobicContact CB-CG1 4.46Å; I17-I83 HydrophobicContact CB-CD1 4.37Å; I17-I83 HydrophobicContact CD1-CG2 4.39Å; I17-I83 HydrophobicContact CG2-CD1 3.39Å; I17-I83 HydrophobicContact CG2-CG1 4.18Å
18D86.4Confident87.8Confident41 Ų4132.1 Ų32.122%0.21916%0.158CC..THydrogen-bonded Turntrans-71-17.4172.860-33.8000113.5N16 R23 V72 S73N16-D18 VanDerWaalsContact C-OD1 3.29Å; N16-D18 WeakPolarHBondContact CA-OD1 3.46Å; N16-D18 PolarHBondContact O-N 3.35Å; N16-D18 VanDerWaalsContact O-N 3.13Å; D18-R23 PolarHBondContact O-NE 3.48Å; D18-R23 PolarHBondContact O-NH2 2.9Å; D18-V72 HydrophobicContact CB-CB 4.44Å; D18-V72 HydrophobicContact CB-CG1 4.38Å; D18-S73 PolarHBondContact OD1-N 3Å; D18-S73 PolarHBondContact OD1-OG 2.81Å; D18-S73 WeakPolarHBondContact OD2-CA 3.35Å; D18-S73 WeakPolarHBondContact OD2-CB 3.41Å; D18-S73 PolarHBondContact OD2-N 3.31Å; D18-S73 PolarHBondContact OD2-OG 3.16Å
19S88.1Confident89Confident30 Ų3026.3 Ų26.321%0.2112%0.122CC..SBendtrans-69.3150.3174.370.10000112.4N16 I17 S21 S22 R23N16-S19 VanDerWaalsContact O-CB 3.29Å; N16-S19 WeakPolarHBondContact O-CB 3.32Å; N16-S19 PolarHBondContact O-N 3.08Å; N16-S19 PolarHBondContact O-OG 2.9Å; I17-S19 VanDerWaalsContact C-N 3.27Å; I17-S19 PolarHBondContact O-N 2.98Å; S19-S21 VanDerWaalsContact C-N 3.34Å; S19-S21 PolarHBondContact O-N 3.46Å; S19-S22 PolarHBondContact O-N 3.45Å; S19-S22 VanDerWaalsContact OG-CB 3.25Å; S19-S22 WeakPolarHBondContact OG-CB 3.21Å; S19-S22 PolarHBondContact OG-OG 3.33Å; S19-R23 WeakPolarHBondContact O-CB 3.36Å; S19-R23 PolarHBondContact O-N 3.42Å
20Y89.1Confident89.3Confident37 Ų3726.3 Ų26.315%0.14512%0.118CC..Hα-helixtrans-52-48.1-175.4158.1-92.5000113.2N24 Q208 Y209 G210 G214 V246Y20-N24 PolarHBondContact O-N 3.26Å; Y20-N24 PolarHBondContact O-ND2 3.42Å; Y20-N24 VanDerWaalsContact O-ND2 3.09Å; Y20-Q208 HydrophobicContact CE1-CB 4.39Å; Y20-Y209 WeakPolarHBondContact OH-CA 3.43Å; Y20-G210 VanDerWaalsContact CE2-O 3.25Å; Y20-G210 WeakPolarHBondContact CE2-O 3.43Å; Y20-G210 VanDerWaalsContact CZ-O 3.22Å; Y20-G210 PolarHBondContact OH-N 3.44Å; Y20-G210 PolarHBondContact OH-O 3.38Å; Y20-G214 VanDerWaalsContact CZ-N 3.31Å; Y20-G214 PolarHBondContact OH-N 2.62Å; Y20-V246 HydrophobicContact CD1-CG2 4.45Å; Y20-V246 HydrophobicContact CE1-CG2 3.5Å
21S90.2Very high88.4Confident0 Ų024 Ų240%012%0.119CC..Hα-helixtrans-73-52.2-176.1-177.50000111.5S19 R23 N24 V25 N108 Q111 Q208S19-S21 VanDerWaalsContact C-N 3.34Å; S19-S21 PolarHBondContact O-N 3.46Å; S21-R23 VanDerWaalsContact C-N 3.29Å; S21-R23 PolarHBondContact O-N 3.06Å; S21-N24 PolarHBondContact O-N 3.24Å; S21-V25 WeakPolarHBondContact O-CG2 3.49Å; S21-V25 PolarHBondContact O-N 2.69Å; S21-N108 VanDerWaalsContact CB-ND2 3.25Å; S21-N108 WeakPolarHBondContact CB-ND2 3.35Å; S21-N108 PolarHBondContact OG-ND2 2.95Å; S21-Q111 VanDerWaalsContact CB-CD 3.49Å; S21-Q208 PolarHBondContact OG-OE1 2.96Å
22S91.2Very high86.7Confident2 Ų226.6 Ų26.61%0.01413%0.128CC..Hα-helixtrans-62.7-35.2-178.3-640000112.4N15 N16 S19 V25 A26 N108N15-S22 WeakPolarHBondContact O-CB 3.43Å; N15-S22 PolarHBondContact O-OG 2.73Å; N15-S22 VanDerWaalsContact O-OG 3.05Å; N16-S22 VanDerWaalsContact O-CB 3.22Å; N16-S22 WeakPolarHBondContact O-CB 3.26Å; S19-S22 PolarHBondContact O-N 3.45Å; S19-S22 VanDerWaalsContact OG-CB 3.25Å; S19-S22 WeakPolarHBondContact OG-CB 3.21Å; S19-S22 PolarHBondContact OG-OG 3.33Å; S22-V25 PolarHBondContact O-N 3.43Å; S22-A26 VanDerWaalsContact O-CB 3.24Å; S22-A26 WeakPolarHBondContact O-CB 3.19Å; S22-A26 PolarHBondContact O-N 2.94Å; S22-N108 WeakPolarHBondContact OG-CB 3.29Å; S22-N108 PolarHBondContact OG-ND2 2.87Å
23R90Very high84.2Confident115 Ų11531.2 Ų31.243%0.43415%0.153SC..Hα-helixtrans-58.9-48.6174.1-168.3-174.3-60.2176.7-3.3111.9I17 D18 S19 S21 A26 K27I17-R23 WeakPolarHBondContact O-CA 3.48Å; I17-R23 WeakPolarHBondContact O-CB 3.35Å; I17-R23 PolarHBondContact O-N 2.99Å; D18-R23 PolarHBondContact O-NE 3.48Å; D18-R23 PolarHBondContact O-NH2 2.9Å; S19-R23 WeakPolarHBondContact O-CB 3.36Å; S19-R23 PolarHBondContact O-N 3.42Å; S21-R23 VanDerWaalsContact C-N 3.29Å; S21-R23 PolarHBondContact O-N 3.06Å; R23-A26 WeakPolarHBondContact O-CB 3.38Å; R23-A26 PolarHBondContact O-N 3.4Å; R23-K27 WeakPolarHBondContact O-CG 3.34Å; R23-K27 PolarHBondContact O-N 3.49Å
24N89.6Confident81.4Confident16 Ų1636.3 Ų36.39%0.08618%0.18CC..Hα-helixtrans-73-36.3-177.5-74.1-34.4000111.6Y20 S21 K27 Y28 M211 V246Y20-N24 PolarHBondContact O-N 3.26Å; Y20-N24 PolarHBondContact O-ND2 3.42Å; Y20-N24 VanDerWaalsContact O-ND2 3.09Å; S21-N24 PolarHBondContact O-N 3.24Å; N24-K27 PolarHBondContact O-N 3.15Å; N24-Y28 WeakPolarHBondContact O-CB 3.29Å; N24-Y28 PolarHBondContact O-N 3.38Å; N24-M211 WeakPolarHBondContact ND2-CB 3.2Å; N24-V246 HydrophobicContact CB-CB 4.45Å; N24-V246 HydrophobicContact CB-CG1 3.39Å
25V90.5Very high78.4Confident1 Ų139.9 Ų39.91%0.00621%0.209CC..Hα-helixtrans-61-45.3170175.40000110.9I14 S21 S22 Y28 V29 A250I14-V25 HydrophobicContact CD1-CG1 4.36Å; S21-V25 WeakPolarHBondContact O-CG2 3.49Å; S21-V25 PolarHBondContact O-N 2.69Å; S22-V25 PolarHBondContact O-N 3.43Å; V25-Y28 PolarHBondContact O-N 3.14Å; V25-V29 HydrophobicContact CG1-CG2 4.22Å; V25-V29 WeakPolarHBondContact O-CB 3.46Å; V25-V29 VanDerWaalsContact O-CG2 3.26Å; V25-V29 WeakPolarHBondContact O-CG2 3.3Å; V25-V29 PolarHBondContact O-N 2.94Å; V25-A250 HydrophobicContact CB-CB 4.33Å; V25-A250 HydrophobicContact CG1-CB 4.43Å; V25-A250 HydrophobicContact CG2-CB 4.03Å
26A89.4Confident75.4Confident0 Ų043.3 Ų43.30%024%0.238CC..Hα-helixtrans-59.7-48.6176.800000112.2I14 I17 S22 R23 Y28 V29 H30 V68I14-A26 HydrophobicContact CD1-CB 3.87Å; I17-A26 HydrophobicContact CG2-CB 3.96Å; S22-A26 VanDerWaalsContact O-CB 3.24Å; S22-A26 WeakPolarHBondContact O-CB 3.19Å; S22-A26 PolarHBondContact O-N 2.94Å; R23-A26 WeakPolarHBondContact O-CB 3.38Å; R23-A26 PolarHBondContact O-N 3.4Å; A26-Y28 VanDerWaalsContact C-N 3.32Å; A26-Y28 PolarHBondContact O-N 3.16Å; A26-V29 PolarHBondContact O-N 2.9Å; A26-H30 WeakPolarHBondContact O-CB 3.4Å; A26-H30 PolarHBondContact O-N 3.25Å; A26-V68 HydrophobicContact CB-CG1 4Å
27K87.6Confident72.5Confident94 Ų9453 Ų5341%0.40927%0.273SS..Hα-helixtrans-55.7-46175.6-76.2175.6179.8178.80111.7R23 N24 H30 G31 H82R23-K27 WeakPolarHBondContact O-CG 3.34Å; R23-K27 PolarHBondContact O-N 3.49Å; N24-K27 PolarHBondContact O-N 3.15Å; K27-H30 PolarHBondContact O-N 3.35Å; K27-G31 PolarHBondContact O-N 2.76Å; K27-H82 WeakPolarHBondContact CG-NE2 3.46Å
28Y86.7Confident69.8Low25 Ų2558.7 Ų58.710%0.09830%0.298CS..Hα-helixtrans-68.2-47.1-177.7-170-87.6000112.5N24 V25 A26 H30 G31 R32 A250 S251N24-Y28 WeakPolarHBondContact O-CB 3.29Å; N24-Y28 PolarHBondContact O-N 3.38Å; V25-Y28 PolarHBondContact O-N 3.14Å; A26-Y28 VanDerWaalsContact C-N 3.32Å; A26-Y28 PolarHBondContact O-N 3.16Å; Y28-H30 PolarHBondContact O-N 3Å; Y28-G31 PolarHBondContact O-N 3.16Å; Y28-R32 HydrophobicContact CE1-CB 4.49Å; Y28-R32 HydrophobicContact CE1-CG 4.46Å; Y28-R32 PolarHBondContact O-N 3.26Å; Y28-R32 PolarHBondContact OH-NE 3.39Å; Y28-R32 VanDerWaalsContact OH-NE 3.12Å; Y28-R32 PolarHBondContact OH-NH1 3.09Å; Y28-R32 VanDerWaalsContact OH-NH1 3.08Å; Y28-R32 PolarHBondContact OH-NH2 2.98Å; Y28-R32 VanDerWaalsContact OH-NH2 3.14Å; Y28-A250 HydrophobicContact CD1-CB 3.71Å; Y28-A250 HydrophobicContact CD2-CB 4.37Å; Y28-A250 HydrophobicContact CE1-CB 4.44Å; Y28-A250 HydrophobicContact CG-CB 3.65Å; Y28-S251 WeakPolarHBondContact OH-CB 3.36Å; Y28-S251 PolarHBondContact OH-OG 3.4Å
29V84.6Confident67Low4 Ų466 Ų662%0.02432%0.323CS..Hα-helixtrans-60.7-35.9178.2171.10000111V12 V25 A26 F66 V68V12-V29 HydrophobicContact CG2-CG1 4.48Å; V25-V29 HydrophobicContact CG1-CG2 4.22Å; V25-V29 WeakPolarHBondContact O-CB 3.46Å; V25-V29 VanDerWaalsContact O-CG2 3.26Å; V25-V29 WeakPolarHBondContact O-CG2 3.3Å; V25-V29 PolarHBondContact O-N 2.94Å; A26-V29 PolarHBondContact O-N 2.9Å; V29-F66 HydrophobicContact CG1-CB 3.96Å; V29-F66 HydrophobicContact CG1-CD2 4.1Å; V29-F66 HydrophobicContact CG1-CG 3.97Å; V29-V68 HydrophobicContact CG1-CG2 4.38Å
30H80.5Confident64.1Low47 Ų4770.3 Ų70.322%0.21835%0.352CS..Hα-helixtrans-72.5-44.3173.7-170.396.8000112.9A26 K27 Y28 Q64 V68 H82A26-H30 WeakPolarHBondContact O-CB 3.4Å; A26-H30 PolarHBondContact O-N 3.25Å; K27-H30 PolarHBondContact O-N 3.35Å; Y28-H30 PolarHBondContact O-N 3Å; H30-Q64 PolarHBondContact CE1-NE2 3.46Å; H30-Q64 VanDerWaalsContact CE1-NE2 3.31Å; H30-Q64 PolarHBondContact NE2-NE2 2.95Å; H30-V68 HydrophobicContact CB-CG2 4.42Å; H30-H82 HydrophobicContact CB-CB 3.77Å; H30-H82 PolarHBondContact ND1-O 3.05Å
31G67.4Low61.1Low38 Ų3873.9 Ų73.939%0.39238%0.382SS..Hα-helixtrans-79.9-24.8-16700000116.4K27 Y28 L33 N34K27-G31 PolarHBondContact O-N 2.76Å; Y28-G31 PolarHBondContact O-N 3.16Å; G31-L33 PolarHBondContact O-N 3.18Å; G31-N34 PolarHBondContact O-N 3Å; G31-N34 VanDerWaalsContact O-N 3.09Å
32R55.3Low58Low86 Ų8682.3 Ų82.333%0.32541%0.414SS..THydrogen-bonded Turntrans-79.828.5-166.6-139.2-160.9-169.1176.310.3117Y28 Q254Y28-R32 HydrophobicContact CE1-CB 4.49Å; Y28-R32 HydrophobicContact CE1-CG 4.46Å; Y28-R32 PolarHBondContact O-N 3.26Å; Y28-R32 PolarHBondContact OH-NE 3.39Å; Y28-R32 VanDerWaalsContact OH-NE 3.12Å; Y28-R32 PolarHBondContact OH-NH1 3.09Å; Y28-R32 VanDerWaalsContact OH-NH1 3.08Å; Y28-R32 PolarHBondContact OH-NH2 2.98Å; Y28-R32 VanDerWaalsContact OH-NH2 3.14Å; R32-Q254 VanDerWaalsContact CD-OE1 3.31Å
33L41.3Very low54.9Low97 Ų9787.3 Ų87.351%0.50845%0.449SS..THydrogen-bonded Turntrans-96.5-4.6155.8-88.9153.2000113.4G31 N63 A65G31-L33 PolarHBondContact O-N 3.18Å; L33-N63 WeakPolarHBondContact CD1-O 3.47Å; L33-A65 HydrophobicContact CD1-CB 3.25Å
34N35.3Very low51.9Low108 Ų10888 Ų8858%0.57846%0.461SS*.  trans-102.469.7171.8-74.3-19000111.5G31 A36 W37G31-N34 PolarHBondContact O-N 3Å; G31-N34 VanDerWaalsContact O-N 3.09Å; N34-A36 PolarHBondContact O-N 2.99Å; N34-W37 PolarHBondContact O-N 3.33Å
35A32Very low49.1Very low75 Ų7594.2 Ų94.262%0.6250%0.5SS*.THydrogen-bonded Turntrans-66.522.9167.900000114.1
36A30.5Very low46Very low74 Ų7499.3 Ų99.361%0.61254%0.535SS*.THydrogen-bonded Turntrans-106.1-19.2176.100000112.6N34N34-A36 PolarHBondContact O-N 2.99Å
37W29.1Very low43.1Very low220 Ų220103.2 Ų103.283%0.83358%0.576SS**SBendtrans-79.9-35.4-179.6-168.5-93.2000112.9N34 R39N34-W37 PolarHBondContact O-N 3.33Å; W37-R39 PolarHBondContact O-N 3.05Å
38F31.6Very low40Very low123 Ų123106.3 Ų106.354%0.53960%0.597SS.*G310 helixtrans-76.40.8179.6-80.1-81.7000115.2
39R27.2Very low37.1Very low193 Ų193110.4 Ų110.473%0.72863%0.629SS**G310 helixtrans-89.41-178.2-131.9-176.5-66.7-179.6-2.2114.1W37W37-R39 PolarHBondContact O-N 3.05Å
40C26.7Very low34.3Very low122 Ų122118.3 Ų118.382%0.82467%0.671SS**G310 helixtrans-93.10.7-178.3-90.70000115.5
41S26.3Very low31.6Very low111 Ų111125.6 Ų125.678%0.77670%0.702SS**SBendtrans-118.16.9-176.8-380000114.5
42R25.9Very low29.5Very low178 Ų178129.8 Ų129.867%0.67273%0.725SS**  trans-116.489.5172-94.8175.5147123.5-5.7108.5D44 H332R42-D44 PolarHBondContact O-N 3.37Å; R42-H332 PolarHBondContact NH1-NE2 3.22Å
43S26.1Very low28.1Very low106 Ų106130.6 Ų130.674%0.74175%0.75SS**  trans-72.477.2162.151.40000108.7T45S43-T45 PolarHBondContact O-N 3.06Å
44D26.7Very low27.4Very low129 Ų129135.3 Ų135.369%0.6977%0.766SS**  trans-72111.5162.9-79.9-25000108R42 S46R42-D44 PolarHBondContact O-N 3.37Å; D44-S46 PolarHBondContact O-N 3.31Å
45T30.3Very low26.8Very low147 Ų147137.6 Ų137.690%0.90278%0.779SS**  trans-49.999.2168.69.10000110.6S43S43-T45 PolarHBondContact O-N 3.06Å
46S26.7Very low26.4Very low108 Ų108145.2 Ų145.276%0.75579%0.791SS**  trans-155108.8150.650.90000109.2D44 D48D44-S46 PolarHBondContact O-N 3.31Å; S46-D48 PolarHBondContact O-N 3.15Å
47G26.7Very low26.2Very low83 Ų83149.5 Ų149.586%0.85680%0.804SS**  trans-62.7127.4171.300000110.1
48D23.2Very low26.2Very low158 Ų158144.9 Ų144.985%0.84580%0.801SS**  -174.3146114.4-132.6-24.9000111.7S46S46-D48 PolarHBondContact O-N 3.15Å
49S25.6Very low25.9Very low111 Ų111144.1 Ų144.178%0.77681%0.81SS**  trans7384.9159.866.80000120.6
50L25.4Very low26Very low171 Ų171145.4 Ų145.490%0.89582%0.821SS**  trans-67.8116.9151.3-15777.9000110
51K24.9Very low26.5Very low199 Ų199144.4 Ų144.487%0.86582%0.815SS**  trans177.696.2150.5-98.4161.2-164.9-178.90111.2
52S23.4Very low26.8Very low126 Ų126146.8 Ų146.888%0.88181%0.814SS**  trans162.773.813851.90000112.6
53A26Very low27.5Very low104 Ų104143.9 Ų143.986%0.8681%0.812SS**  trans-109.673.1166.600000110.3
54K25.8Very low28.8Very low195 Ų195144.8 Ų144.885%0.84881%0.805SS**  trans-144.2126.9156.1-77-167.4177.1174.90108.6
55N23.2Very low30.7Very low157 Ų157140.5 Ų140.584%0.8479%0.787SS**  trans87.5103.3-179-60.8-19.6000116.6
56R23.1Very low33.1Very low234 Ų234134.7 Ų134.788%0.88375%0.749SS**  -178.487114.9-94.1164.7-170.9-163.54.8111.7T58R56-T58 PolarHBondContact O-N 3.45Å
57N27Very low36Very low165 Ų165132.5 Ų132.588%0.88273%0.728SS**  trans-65108138.4-89-19.2000106.8
58T27.8Very low38.9Very low123 Ų123128.6 Ų128.676%0.75569%0.687SS**  trans15499150.950.30000111R56R56-T58 PolarHBondContact O-N 3.45Å
59S26.1Very low42.1Very low106 Ų106121.1 Ų121.174%0.74165%0.647SS**  trans179.171.6136.259.10000112.5S61S59-S61 VanDerWaalsContact C-N 3.28Å; S59-S61 PolarHBondContact O-N 3.26Å; S59-S61 VanDerWaalsContact O-N 3.09Å
60K30.3Very low45.2Very low221 Ų221115.8 Ų115.896%0.96161%0.61SS**  trans-71.485.5154.3-79.1-177.7175.7-178.90107.9
61S36.3Very low48.3Very low100 Ų100107.9 Ų107.970%0.69957%0.569SS**  trans173.484.7166.9159.50000109.8S59S59-S61 VanDerWaalsContact C-N 3.28Å; S59-S61 PolarHBondContact O-N 3.26Å; S59-S61 VanDerWaalsContact O-N 3.09Å
62Q32.5Very low51.3Low162 Ų16298.7 Ų98.776%0.75753%0.529SS*.  trans-139.199.4154.2-71-161.1-3.500110.1
63N40.1Very low54.1Low116 Ų11695 Ų9562%0.6250%0.503SS*.  trans4398.7153.8-63.5-13.1000119.5L33 A65L33-N63 WeakPolarHBondContact CD1-O 3.47Å; N63-A65 PolarHBondContact O-N 3.33Å
64Q53.2Low56.5Low125 Ų12596.1 Ų96.158%0.58450%0.495SS*.  trans-74.6107.6154.3-78.3170.3-21.400109H30H30-Q64 PolarHBondContact CE1-NE2 3.46Å; H30-Q64 VanDerWaalsContact CE1-NE2 3.31Å; H30-Q64 PolarHBondContact NE2-NE2 2.95Å
65A66.3Low58.7Low40 Ų4092.6 Ų92.633%0.33149%0.485SS..  trans-84.8-19.617700000114P9 K10 L33 N63P9-A65 CarbonylContact C-O 3.49Å; P9-A65 WeakPolarHBondContact CA-O 3.28Å; K10-A65 PolarHBondContact N-O 2.66Å; L33-A65 HydrophobicContact CD1-CB 3.25Å; N63-A65 PolarHBondContact O-N 3.33Å
66F81.5Confident60.7Low24 Ų2488.3 Ų88.311%0.10547%0.467CS..EExtended strand (participates in β ladder)trans-124.6135.1178.2-62.7-74.8000110.8K10 V12 V29 I257K10-F66 HydrophobicContact CB-CD1 3.82Å; K10-F66 HydrophobicContact CB-CE1 3.98Å; K10-F66 HydrophobicContact CD-CE1 3.96Å; K10-F66 CarbonylContact O-C 3.52Å; K10-F66 VanDerWaalsContact O-CA 3.28Å; K10-F66 WeakPolarHBondContact O-CA 3.15Å; V12-F66 HydrophobicContact CG2-CB 4.1Å; V12-F66 HydrophobicContact CG2-CD1 3.55Å; V12-F66 HydrophobicContact CG2-CE1 4.37Å; V12-F66 HydrophobicContact CG2-CG 4.18Å; V29-F66 HydrophobicContact CG1-CB 3.96Å; V29-F66 HydrophobicContact CG1-CD2 4.1Å; V29-F66 HydrophobicContact CG1-CG 3.97Å; F66-I257 HydrophobicContact CE1-CG2 4.01Å; F66-I257 HydrophobicContact CZ-CG2 4.19Å
67Q86.9Confident62.4Low63 Ų6385.4 Ų85.429%0.29447%0.469SS..EExtended strand (participates in β ladder)trans-107.5110.4171.3-76.8174.2-14.900107.9P9 K10 R11 V12 L84P9-Q67 HydrophobicContact CB-CG 3.99Å; P9-Q67 HydrophobicContact CG-CG 4.19Å; K10-Q67 PolarHBondContact O-N 3.46Å; R11-Q67 CarbonylContact C-O 3.53Å; R11-Q67 WeakPolarHBondContact CA-O 3.5Å; V12-Q67 PolarHBondContact N-O 3.3Å; Q67-L84 HydrophobicContact CB-CD2 4.31Å
68V88.4Confident64.3Low1 Ų185.3 Ų85.31%0.00646%0.463CS..EExtended strand (participates in β ladder)trans-89.6129.7-176.5-174.70000109.7V12 I14 I17 A26 V29 H30 L84V12-V68 WeakPolarHBondContact O-CA 3.39Å; I14-V68 HydrophobicContact CD1-CG1 3.86Å; I14-V68 HydrophobicContact CG1-CG1 4.22Å; I17-V68 HydrophobicContact CD1-CG1 4.1Å; A26-V68 HydrophobicContact CB-CG1 4Å; V29-V68 HydrophobicContact CG1-CG2 4.38Å; H30-V68 HydrophobicContact CB-CG2 4.42Å; V68-L84 WeakPolarHBondContact O-CB 3.46Å; V68-L84 PolarHBondContact O-N 3.49Å
69V91.3Very high66.1Low0 Ų084.3 Ų84.30%045%0.453CS..EExtended strand (participates in β ladder)trans-132.3158.5172.9-61.50000108.9R11 V12 F13 I14 L84 E85 Y87R11-V69 HydrophobicContact CG-CG1 4.37Å; R11-V69 HydrophobicContact CG-CG2 4.12Å; V12-V69 PolarHBondContact O-N 3.11Å; F13-V69 CarbonylContact C-O 3.49Å; F13-V69 VanDerWaalsContact CA-O 3.23Å; F13-V69 WeakPolarHBondContact CA-O 3.31Å; F13-V69 HydrophobicContact CB-CG2 4.37Å; F13-V69 HydrophobicContact CD2-CG2 4.39Å; I14-V69 PolarHBondContact N-O 3.03Å; V69-L84 HydrophobicContact CG1-CB 4.09Å; V69-L84 HydrophobicContact CG1-CD2 4.25Å; V69-E85 WeakPolarHBondContact CA-O 3.35Å; V69-E85 HydrophobicContact CB-CB 4.35Å; V69-E85 HydrophobicContact CG1-CB 3.85Å; V69-E85 HydrophobicContact CG1-CG 4.34Å; V69-Y87 HydrophobicContact CB-CE2 4.16Å; V69-Y87 HydrophobicContact CG2-CE2 4.42Å
70G90.6Very high68.3Low0 Ų081 Ų810%043%0.428CS..EExtended strand (participates in β ladder)trans177.7179.1177.600000116I14 E85 E86 Y87I14-G70 WeakPolarHBondContact O-CA 3.23Å; G70-E85 PolarHBondContact N-O 2.88Å; G70-E85 VanDerWaalsContact N-O 3.15Å; G70-E86 CarbonylContact O-C 3.52Å; G70-E86 WeakPolarHBondContact O-CA 3.28Å; G70-Y87 VanDerWaalsContact O-CD2 3.3Å; G70-Y87 WeakPolarHBondContact O-CD2 3.46Å; G70-Y87 PolarHBondContact O-N 3.11Å
71T90.1Very high70.1Confident5 Ų576.2 Ų76.23%0.03142%0.42CS..EExtended strand (participates in β ladder)trans-86.1152.1176.552.60000111.2F13 I14 N15 N16 I17 Y87 P90 L95F13-T71 HydrophobicContact CE2-CG2 4.17Å; F13-T71 HydrophobicContact CZ-CG2 3.94Å; I14-T71 PolarHBondContact O-N 2.98Å; N15-T71 WeakPolarHBondContact CA-OG1 3.26Å; N16-T71 CarbonylContact C-O 3.59Å; N16-T71 WeakPolarHBondContact CA-O 3.36Å; N16-T71 PolarHBondContact N-O 3.47Å; N16-T71 VanDerWaalsContact N-O 3.14Å; N16-T71 PolarHBondContact N-OG1 2.85Å; I17-T71 PolarHBondContact N-O 3.25Å; T71-Y87 CarbonylContact C-O 3.52Å; T71-Y87 WeakPolarHBondContact CA-O 3.27Å; T71-P90 HydrophobicContact CG2-CG 3.79Å; T71-L95 HydrophobicContact CG2-CD1 4.22Å
72V88.1Confident72Confident5 Ų572.6 Ų72.63%0.0339%0.392CS..EExtended strand (participates in β ladder)trans-135.3145.5174.2-65.50000110I17 D18 N74 L75 E86 Y87 C88I17-V72 HydrophobicContact CB-CG1 4.46Å; D18-V72 HydrophobicContact CB-CB 4.44Å; D18-V72 HydrophobicContact CB-CG1 4.38Å; V72-N74 WeakPolarHBondContact CG2-O 3.49Å; V72-L75 HydrophobicContact CG2-CD2 4.47Å; V72-E86 HydrophobicContact CG1-CB 4.13Å; V72-E86 HydrophobicContact CG1-CG 3.87Å; V72-E86 HydrophobicContact CG2-CB 4.06Å; V72-Y87 PolarHBondContact N-O 2.94Å; V72-C88 HydrophobicContact CG2-CB 4.28Å
73S81.3Confident74.3Confident49 Ų4965.7 Ų65.734%0.34336%0.36SS..SBendtrans-72.6-41175.9-36.50000110.5D18 H89D18-S73 PolarHBondContact OD1-N 3Å; D18-S73 PolarHBondContact OD1-OG 2.81Å; D18-S73 WeakPolarHBondContact OD2-CA 3.35Å; D18-S73 WeakPolarHBondContact OD2-CB 3.41Å; D18-S73 PolarHBondContact OD2-N 3.31Å; D18-S73 PolarHBondContact OD2-OG 3.16Å; S73-H89 PolarHBondContact O-CE1 3.16Å
74N76Confident76.2Confident128 Ų12864.1 Ų64.168%0.68435%0.351SS*.SBendtrans-126.2139176.4-64.7-45.4000110.5V72 S76V72-N74 WeakPolarHBondContact CG2-O 3.49Å; N74-S76 PolarHBondContact O-N 3.39Å
75L73.8Confident77.6Confident121 Ų12161.6 Ų61.663%0.63434%0.339SS*.  trans-70.7128.3172.9-75160000109.6V72 C88V72-L75 HydrophobicContact CG2-CD2 4.47Å; L75-C88 HydrophobicContact CD1-CB 3.89Å; L75-C88 HydrophobicContact CD2-CB 3.84Å; L75-C88 HydrophobicContact CG-CB 3.59Å
76S65.1Low78.6Confident67 Ų6761.3 Ų61.347%0.46933%0.331SS..  trans-80.6144.5168.8-177.30000110.1N74 E78N74-S76 PolarHBondContact O-N 3.39Å; S76-E78 WeakPolarHBondContact CB-O 3.47Å; S76-E78 PolarHBondContact O-N 2.98Å; S76-E78 PolarHBondContact OG-N 3.33Å; S76-E78 PolarHBondContact OG-O 3.01Å
77D58.8Low78.8Confident173 Ų17361.2 Ų61.293%0.92533%0.331SS*.SBendtrans-66.4-28.9174.7-71.2-35.2000111.8
78E65.8Low78.6Confident163 Ų16360.3 Ų60.376%0.76233%0.331SS*.SBendtrans-124.3130.5173.7-66.1-170170.600111.3S76 P80S76-E78 WeakPolarHBondContact CB-O 3.47Å; S76-E78 PolarHBondContact O-N 2.98Å; S76-E78 PolarHBondContact OG-N 3.33Å; S76-E78 PolarHBondContact OG-O 3.01Å; E78-P80 WeakPolarHBondContact O-CD 3.26Å
79L65.9Low78.2Confident102 Ų10267.4 Ų67.453%0.53436%0.363SS..  trans-70.6124.7175-80.8161.6000109.9E86L79-E86 HydrophobicContact CD2-CB 4.07Å; L79-E86 HydrophobicContact CD2-CG 3.58Å
80P71.9Confident77.9Confident35 Ų3568.6 Ų68.623%0.22737%0.371CS..  trans-58.6144.4175.6-23.733.6000111.6E78 H82 I83 E86E78-P80 WeakPolarHBondContact O-CD 3.26Å; P80-H82 WeakPolarHBondContact CB-CE1 3.37Å; P80-H82 PolarHBondContact O-N 3.48Å; P80-I83 HydrophobicContact CB-CD1 4.09Å; P80-I83 HydrophobicContact CB-CG1 4.4Å; P80-I83 HydrophobicContact CG-CD1 3.85Å; P80-I83 PolarHBondContact O-N 3.2Å; P80-E86 WeakPolarHBondContact CD-OE1 3.34Å
81P68.8Low77.7Confident121 Ų12170.6 Ų70.679%0.78639%0.392SS*.THydrogen-bonded Turntrans-63.7-13.1-171.225-35.6000114.4
82H75.8Confident77.7Confident25 Ų2576.9 Ų76.912%0.11642%0.419CS..THydrogen-bonded Turntrans-95.7-5.8-17951.7-83.3000113.9K27 H30 P80K27-H82 WeakPolarHBondContact CG-NE2 3.46Å; H30-H82 HydrophobicContact CB-CB 3.77Å; H30-H82 PolarHBondContact ND1-O 3.05Å; P80-H82 WeakPolarHBondContact CB-CE1 3.37Å; P80-H82 PolarHBondContact O-N 3.48Å
83I80.1Confident77.8Confident17 Ų1784.6 Ų84.69%0.08746%0.455CS..  trans-113.8133.9-177.5-55.7171.1000109.3I17 P80 E86I17-I83 HydrophobicContact CB-CD1 4.37Å; I17-I83 HydrophobicContact CD1-CG2 4.39Å; I17-I83 HydrophobicContact CG2-CD1 3.39Å; I17-I83 HydrophobicContact CG2-CG1 4.18Å; P80-I83 HydrophobicContact CB-CD1 4.09Å; P80-I83 HydrophobicContact CB-CG1 4.4Å; P80-I83 HydrophobicContact CG-CD1 3.85Å; P80-I83 PolarHBondContact O-N 3.2Å; I83-E86 WeakPolarHBondContact CD1-OE1 3Å; I83-E86 HydrophobicContact CG2-CG 3.8Å
84L80.6Confident78.3Confident82 Ų8287.3 Ų87.343%0.42946%0.462SS..SBendtrans-86.6-45.9178.7-172.280.9000111.7Q67 V68 V69Q67-L84 HydrophobicContact CB-CD2 4.31Å; V68-L84 WeakPolarHBondContact O-CB 3.46Å; V68-L84 PolarHBondContact O-N 3.49Å; V69-L84 HydrophobicContact CG1-CB 4.09Å; V69-L84 HydrophobicContact CG1-CD2 4.25Å
85E83.3Confident79Confident72 Ų7281.4 Ų81.434%0.33643%0.43SS..EExtended strand (participates in β ladder)trans-146.5136.6-175.7-63173.7-177.100110.3R11 V69 G70 Y87R11-E85 IonicContact CZ-OE2 3.23Å; R11-E85 IonicContact NH2-OE1 3.31Å; R11-E85 IonicContact NH2-OE2 3.83Å; R11-E85 PolarHBondContact NH2-OE2 3.18Å; V69-E85 WeakPolarHBondContact CA-O 3.35Å; V69-E85 HydrophobicContact CB-CB 4.35Å; V69-E85 HydrophobicContact CG1-CB 3.85Å; V69-E85 HydrophobicContact CG1-CG 4.34Å; G70-E85 PolarHBondContact N-O 2.88Å; G70-E85 VanDerWaalsContact N-O 3.15Å; E85-Y87 HydrophobicContact CB-CE1 4.33Å; E85-Y87 PolarHBondContact OE2-OH 2.87Å
86E86.6Confident79.9Confident34 Ų3477 Ų7716%0.15941%0.407CS..EExtended strand (participates in β ladder)trans-114.8139.6174-70-179.8176.600110.4G70 V72 L79 P80 I83G70-E86 CarbonylContact O-C 3.52Å; G70-E86 WeakPolarHBondContact O-CA 3.28Å; V72-E86 HydrophobicContact CG1-CB 4.13Å; V72-E86 HydrophobicContact CG1-CG 3.87Å; V72-E86 HydrophobicContact CG2-CB 4.06Å; L79-E86 HydrophobicContact CD2-CB 4.07Å; L79-E86 HydrophobicContact CD2-CG 3.58Å; P80-E86 WeakPolarHBondContact CD-OE1 3.34Å; I83-E86 WeakPolarHBondContact CD1-OE1 3Å; I83-E86 HydrophobicContact CG2-CG 3.8Å
87Y85.4Confident81.2Confident23 Ų2377.1 Ų77.19%0.0941%0.408CS..EExtended strand (participates in β ladder)trans-120.1117.4178.6-48.2-66000110R11 F13 V69 G70 T71 V72 E85 K98R11-Y87 PolarHBondContact NH2-OH 3.33Å; F13-Y87 HydrophobicContact CE2-CD2 4.46Å; V69-Y87 HydrophobicContact CB-CE2 4.16Å; V69-Y87 HydrophobicContact CG2-CE2 4.42Å; G70-Y87 VanDerWaalsContact O-CD2 3.3Å; G70-Y87 WeakPolarHBondContact O-CD2 3.46Å; G70-Y87 PolarHBondContact O-N 3.11Å; T71-Y87 CarbonylContact C-O 3.52Å; T71-Y87 WeakPolarHBondContact CA-O 3.27Å; V72-Y87 PolarHBondContact N-O 2.94Å; E85-Y87 HydrophobicContact CB-CE1 4.33Å; E85-Y87 PolarHBondContact OE2-OH 2.87Å; Y87-K98 HydrophobicContact CE1-CD 4.05Å; Y87-K98 HydrophobicContact CE1-CG 4.13Å; Y87-K98 HydrophobicContact CE2-CB 4.3Å; Y87-K98 HydrophobicContact CE2-CG 4.22Å; Y87-K98 WeakPolarHBondContact OH-CD 3.45Å
88C84.4Confident82.7Confident44 Ų4471.2 Ų71.230%0.29737%0.374SS..EExtended strand (participates in β ladder)trans-97.4117.2177.9-167.90000109.6V72 L75V72-C88 HydrophobicContact CG2-CB 4.28Å; L75-C88 HydrophobicContact CD1-CB 3.89Å; L75-C88 HydrophobicContact CD2-CB 3.84Å; L75-C88 HydrophobicContact CG-CB 3.59Å
89H78.8Confident84Confident149 Ų14963.4 Ų63.469%0.6934%0.337SS*.SBendtrans48.553178.4-54.192000115.4S73S73-H89 PolarHBondContact O-CE1 3.16Å
90P84.9Confident85.2Confident26 Ų2660.5 Ų60.517%0.16932%0.322CS..  trans-65.5143.1179.129.4-34.8000111.5T71 E94 L95T71-P90 HydrophobicContact CG2-CG 3.79Å; P90-E94 HydrophobicContact CB-CG 4.42Å; P90-L95 HydrophobicContact CB-CB 4.22Å; P90-L95 HydrophobicContact CG-CB 4.13Å; P90-L95 HydrophobicContact CG-CD1 4.09Å; P90-L95 HydrophobicContact CG-CG 4.48Å
91G87.6Confident86.1Confident42 Ų4263.1 Ų63.143%0.43333%0.331SS..  trans-64.9156.6169.700000111.4E93 E94 L95G91-E93 VanDerWaalsContact C-N 3.3Å; G91-E93 PolarHBondContact O-N 3.02Å; G91-E94 PolarHBondContact O-N 2.62Å; G91-E94 VanDerWaalsContact O-N 3.14Å; G91-L95 WeakPolarHBondContact O-CB 3.45Å; G91-L95 PolarHBondContact O-N 3.25Å
92K90Very high87.1Confident136 Ų13657.4 Ų57.459%0.59129%0.293SS*.Hα-helixtrans-54.5-40.6-178-73.9-174177.7-175.50113.9L96 W121K92-L96 WeakPolarHBondContact O-CB 3.33Å; K92-L96 PolarHBondContact O-N 2.84Å; K92-W121 HydrophobicContact CB-CH2 3.98Å; K92-W121 HydrophobicContact CB-CZ2 3.65Å; K92-W121 HydrophobicContact CD-CD2 4.2Å; K92-W121 HydrophobicContact CD-CG 4.47Å; K92-W121 HydrophobicContact CD-CZ2 4.36Å; K92-W121 HydrophobicContact CG-CD2 4.39Å; K92-W121 HydrophobicContact CG-CH2 4.34Å; K92-W121 HydrophobicContact CG-CZ2 4.1Å; K92-W121 WeakPolarHBondContact O-CH2 3.45Å; K92-W121 WeakPolarHBondContact O-CZ2 3.42Å
93E89.8Confident88Confident168 Ų16858.7 Ų58.779%0.78530%0.3SS*.Hα-helixtrans-70.5-39.2-179.9-64.1-177.6177.200112.4G91 S97G91-E93 VanDerWaalsContact C-N 3.3Å; G91-E93 PolarHBondContact O-N 3.02Å; E93-S97 PolarHBondContact O-N 3.26Å; E93-S97 VanDerWaalsContact O-N 3.1Å; E93-S97 PolarHBondContact O-OG 3.36Å
94E91Very high88.6Confident106 Ų10658 Ų5850%0.49530%0.296SS..Hα-helixtrans-65.5-48.6175.3-177.7178.2-17000110.6P90 G91 L96 S97 K98P90-E94 HydrophobicContact CB-CG 4.42Å; G91-E94 PolarHBondContact O-N 2.62Å; G91-E94 VanDerWaalsContact O-N 3.14Å; E94-L96 VanDerWaalsContact C-N 3.33Å; E94-L96 PolarHBondContact O-N 3.4Å; E94-S97 WeakPolarHBondContact O-CB 3.27Å; E94-S97 PolarHBondContact O-N 2.91Å; E94-S97 VanDerWaalsContact O-N 3.11Å; E94-K98 WeakPolarHBondContact O-CG 3.32Å; E94-K98 PolarHBondContact O-N 3.49Å
95L91.7Very high89.4Confident3 Ų354 Ų542%0.01628%0.275CS..Hα-helixtrans-58.3-45177.4-17958000111.2F13 T71 P90 G91 S97 K98 L99 E118 W121F13-L95 HydrophobicContact CE2-CD1 3.86Å; F13-L95 HydrophobicContact CZ-CD1 3.77Å; T71-L95 HydrophobicContact CG2-CD1 4.22Å; P90-L95 HydrophobicContact CB-CB 4.22Å; P90-L95 HydrophobicContact CG-CB 4.13Å; P90-L95 HydrophobicContact CG-CD1 4.09Å; P90-L95 HydrophobicContact CG-CG 4.48Å; G91-L95 WeakPolarHBondContact O-CB 3.45Å; G91-L95 PolarHBondContact O-N 3.25Å; L95-S97 VanDerWaalsContact C-N 3.31Å; L95-S97 PolarHBondContact O-N 2.88Å; L95-K98 PolarHBondContact O-N 2.99Å; L95-K98 VanDerWaalsContact O-N 3.16Å; L95-L99 HydrophobicContact CD1-CD1 4.44Å; L95-L99 HydrophobicContact CD1-CG 4.23Å; L95-L99 HydrophobicContact CG-CD1 4.11Å; L95-L99 HydrophobicContact CG-CG 4.35Å; L95-L99 VanDerWaalsContact O-CG 3.26Å; L95-L99 WeakPolarHBondContact O-CG 3.42Å; L95-L99 PolarHBondContact O-N 3Å; L95-E118 HydrophobicContact CD2-CG 4.19Å; L95-E118 WeakPolarHBondContact CD2-OE1 3.45Å; L95-W121 HydrophobicContact CB-CH2 4.49Å; L95-W121 HydrophobicContact CD2-CZ3 3.82Å; L95-W121 HydrophobicContact CG-CZ3 4.21Å
96L92.6Very high90Very high30 Ų3050.6 Ų50.616%0.15726%0.259CS..Hα-helixtrans-58.2-44.9176.1-178.361000111.3K92 E94 K98 L99 M100 W121 A125K92-L96 WeakPolarHBondContact O-CB 3.33Å; K92-L96 PolarHBondContact O-N 2.84Å; E94-L96 VanDerWaalsContact C-N 3.33Å; E94-L96 PolarHBondContact O-N 3.4Å; L96-K98 VanDerWaalsContact C-N 3.3Å; L96-K98 PolarHBondContact O-N 3.12Å; L96-L99 PolarHBondContact O-N 3.37Å; L96-M100 HydrophobicContact CD1-CG 4.29Å; L96-M100 HydrophobicContact CG-CG 4.4Å; L96-M100 WeakPolarHBondContact O-CB 3.26Å; L96-M100 WeakPolarHBondContact O-CG 3.41Å; L96-M100 PolarHBondContact O-N 3.11Å; L96-W121 HydrophobicContact CB-CH2 4.04Å; L96-W121 HydrophobicContact CB-CZ2 4.31Å; L96-A125 HydrophobicContact CD1-CB 3.93Å
97S90.8Very high90.5Very high68 Ų6849 Ų4948%0.47625%0.252SS..Hα-helixtrans-58.2-43.4177.7-55.90000111.3E93 E94 L95 M100 E101E93-S97 PolarHBondContact O-N 3.26Å; E93-S97 VanDerWaalsContact O-N 3.1Å; E93-S97 PolarHBondContact O-OG 3.36Å; E94-S97 WeakPolarHBondContact O-CB 3.27Å; E94-S97 PolarHBondContact O-N 2.91Å; E94-S97 VanDerWaalsContact O-N 3.11Å; L95-S97 VanDerWaalsContact C-N 3.31Å; L95-S97 PolarHBondContact O-N 2.88Å; S97-M100 PolarHBondContact O-N 3.5Å; S97-E101 PolarHBondContact O-N 3.37Å
98K91.4Very high91Very high49 Ų4948.2 Ų48.221%0.21325%0.249CC..Hα-helixtrans-66.8-41.1176.1-61.2-52.9-170.4167.60113.1Y87 E94 L95 L96 M100 E101 C102Y87-K98 HydrophobicContact CE1-CD 4.05Å; Y87-K98 HydrophobicContact CE1-CG 4.13Å; Y87-K98 HydrophobicContact CE2-CB 4.3Å; Y87-K98 HydrophobicContact CE2-CG 4.22Å; Y87-K98 WeakPolarHBondContact OH-CD 3.45Å; E94-K98 WeakPolarHBondContact O-CG 3.32Å; E94-K98 PolarHBondContact O-N 3.49Å; L95-K98 PolarHBondContact O-N 2.99Å; L95-K98 VanDerWaalsContact O-N 3.16Å; L96-K98 VanDerWaalsContact C-N 3.3Å; L96-K98 PolarHBondContact O-N 3.12Å; K98-M100 VanDerWaalsContact C-N 3.27Å; K98-M100 PolarHBondContact O-N 2.86Å; K98-E101 PolarHBondContact O-N 3.34Å; K98-E101 VanDerWaalsContact O-N 3.15Å; K98-C102 PolarHBondContact O-N 3.24Å; K98-C102 PolarHBondContact O-SG 3.38Å
99L92.4Very high91.5Very high0 Ų046.1 Ų46.10%024%0.235CC..Hα-helixtrans-63.3-34.7174.9-66.3174.6000111.5F13 L95 L96 E101 C102 I105 Y107 A122 L126 K137F13-L99 HydrophobicContact CB-CD2 4.14Å; F13-L99 HydrophobicContact CD1-CD2 3.44Å; F13-L99 VanDerWaalsContact CD1-CD2 3.44Å; F13-L99 HydrophobicContact CD2-CD2 3.92Å; F13-L99 HydrophobicContact CE1-CD2 3.7Å; F13-L99 HydrophobicContact CE2-CD2 4.16Å; F13-L99 HydrophobicContact CG-CD2 3.55Å; F13-L99 HydrophobicContact CZ-CD2 4.05Å; L95-L99 HydrophobicContact CD1-CD1 4.44Å; L95-L99 HydrophobicContact CD1-CG 4.23Å; L95-L99 HydrophobicContact CG-CD1 4.11Å; L95-L99 HydrophobicContact CG-CG 4.35Å; L95-L99 VanDerWaalsContact O-CG 3.26Å; L95-L99 WeakPolarHBondContact O-CG 3.42Å; L95-L99 PolarHBondContact O-N 3Å; L96-L99 PolarHBondContact O-N 3.37Å; L99-E101 VanDerWaalsContact C-N 3.27Å; L99-E101 PolarHBondContact O-N 2.94Å; L99-C102 PolarHBondContact O-N 3.29Å; L99-I105 HydrophobicContact CB-CD1 4.36Å; L99-I105 HydrophobicContact CD2-CD1 4.44Å; L99-I105 HydrophobicContact CD2-CG1 4.08Å; L99-I105 HydrophobicContact CD2-CG2 3.79Å; L99-Y107 HydrophobicContact CD2-CE2 4.4Å; L99-A122 HydrophobicContact CD1-CB 3.99Å; L99-L126 HydrophobicContact CB-CD2 4.15Å; L99-K137 PolarHBondContact O-NZ 3.11Å
100M90.7Very high92Very high41 Ų4140.2 Ų40.220%0.20221%0.21CC..Hα-helixtrans-67.6-24.4175.7-69.3-63.6-79.500113L96 S97 K98 L126 H129 D132 F133 K137L96-M100 HydrophobicContact CD1-CG 4.29Å; L96-M100 HydrophobicContact CG-CG 4.4Å; L96-M100 WeakPolarHBondContact O-CB 3.26Å; L96-M100 WeakPolarHBondContact O-CG 3.41Å; L96-M100 PolarHBondContact O-N 3.11Å; S97-M100 PolarHBondContact O-N 3.5Å; K98-M100 VanDerWaalsContact C-N 3.27Å; K98-M100 PolarHBondContact O-N 2.86Å; M100-L126 HydrophobicContact SD-CD2 3.97Å; M100-H129 HydrophobicContact CE-CB 4.07Å; M100-H129 HydrophobicContact SD-CB 4.41Å; M100-D132 HydrophobicContact CE-CB 3.91Å; M100-F133 HydrophobicContact CE-CD1 3.66Å; M100-F133 HydrophobicContact CE-CE1 3.88Å; M100-F133 HydrophobicContact SD-CD1 3.92Å; M100-F133 HydrophobicContact SD-CE1 3.59Å; M100-F133 VanDerWaalsContact SD-CE1 3.59Å; M100-K137 PolarHBondContact O-NZ 2.82Å
101E90.5Very high92Very high90 Ų9042.9 Ų42.942%0.42122%0.221SC..Hα-helixtrans-80.2-19.5173.7-64.3170.4179.600113.4R11 S97 K98 L99 Q103R11-E101 IonicContact CZ-OE2 3.53Å; R11-E101 VanDerWaalsContact NH1-CB 3.26Å; R11-E101 IonicContact NH1-OE2 2.9Å; R11-E101 PolarHBondContact NH1-OE2 2.72Å; R11-E101 IonicContact NH2-OE2 3.2Å; R11-E101 PolarHBondContact NH2-OE2 3.33Å; S97-E101 PolarHBondContact O-N 3.37Å; K98-E101 PolarHBondContact O-N 3.34Å; K98-E101 VanDerWaalsContact O-N 3.15Å; L99-E101 VanDerWaalsContact C-N 3.27Å; L99-E101 PolarHBondContact O-N 2.94Å; E101-Q103 PolarHBondContact O-NE2 3.04Å
102C91.8Very high91.9Very high0 Ų043.4 Ų43.40%021%0.214CC..  trans-90.5142.5-174-62.10000113F13 K98 L99 I105 K137F13-C102 HydrophobicContact CB-CB 4.11Å; K98-C102 PolarHBondContact O-N 3.24Å; K98-C102 PolarHBondContact O-SG 3.38Å; L99-C102 PolarHBondContact O-N 3.29Å; C102-I105 HydrophobicContact CB-CG1 4.24Å; C102-K137 PolarHBondContact O-NZ 2.78Å
103Q92.9Very high91.7Very high53 Ų5339.2 Ų39.225%0.24820%0.204CC..SBendtrans-86.9-30175.2-6877.536.100112.3R11 E101 K137 I138R11-Q103 PolarHBondContact O-N 3Å; E101-Q103 PolarHBondContact O-NE2 3.04Å; Q103-K137 WeakPolarHBondContact O-CA 3.46Å; Q103-I138 PolarHBondContact O-N 2.85Å
104V94.5Very high91.6Very high1 Ų137.5 Ų37.51%0.00620%0.2CC..EExtended strand (participates in β ladder)trans-124135178.2-175.90000108.4R11 V12 F13 I106 I138 I140 I257R11-V104 PolarHBondContact O-N 3.45Å; V12-V104 CarbonylContact C-O 3.57Å; V12-V104 WeakPolarHBondContact CA-O 3.46Å; V12-V104 HydrophobicContact CB-CB 4.4Å; V12-V104 HydrophobicContact CG1-CB 4.12Å; V12-V104 HydrophobicContact CG1-CG1 4.11Å; V12-V104 HydrophobicContact CG2-CB 4.11Å; V12-V104 HydrophobicContact CG2-CG2 4.45Å; F13-V104 PolarHBondContact N-O 3.01Å; V104-I106 HydrophobicContact CG1-CD1 4.4Å; V104-I106 HydrophobicContact CG1-CG1 4.03Å; V104-I138 CarbonylContact C-O 3.57Å; V104-I138 WeakPolarHBondContact CA-O 3.41Å; V104-I138 HydrophobicContact CG2-CB 4.46Å; V104-I138 HydrophobicContact CG2-CD1 4.33Å; V104-I140 HydrophobicContact CG1-CD1 4.49Å; V104-I257 HydrophobicContact CG1-CD1 3.83Å; V104-I257 HydrophobicContact CG1-CG1 3.84Å; V104-I257 HydrophobicContact CG2-CG2 3.9Å
105I96.3Very high91.6Very high0 Ų033.4 Ų33.40%018%0.181CC..EExtended strand (participates in β ladder)trans-129.5116.4-178-64.1152000106.8F13 L99 C102 Y107 L126 K137 I138 F139 I140F13-I105 HydrophobicContact CB-CG1 4.32Å; F13-I105 HydrophobicContact CD1-CG2 4.04Å; L99-I105 HydrophobicContact CB-CD1 4.36Å; L99-I105 HydrophobicContact CD2-CD1 4.44Å; L99-I105 HydrophobicContact CD2-CG1 4.08Å; L99-I105 HydrophobicContact CD2-CG2 3.79Å; C102-I105 HydrophobicContact CB-CG1 4.24Å; I105-Y107 HydrophobicContact CG2-CD2 3.77Å; I105-Y107 HydrophobicContact CG2-CE2 3.8Å; I105-L126 HydrophobicContact CD1-CD1 3.6Å; I105-L126 HydrophobicContact CD1-CD2 4.03Å; I105-L126 HydrophobicContact CD1-CG 4.48Å; I105-K137 HydrophobicContact CD1-CD 4.4Å; I105-I138 PolarHBondContact N-O 3.37Å; I105-F139 HydrophobicContact CB-CD2 4.08Å; I105-F139 HydrophobicContact CG2-CD2 3.66Å; I105-F139 HydrophobicContact CG2-CE2 3.79Å; I105-F139 CarbonylContact O-C 3.59Å; I105-F139 WeakPolarHBondContact O-CA 3.49Å; I105-I140 PolarHBondContact O-N 3.05Å
106I96.6Very high91.6Very high0 Ų033.5 Ų33.50%018%0.182CC..EExtended strand (participates in β ladder)trans-113.1118.1-178.3-53.3173.8000107.4V12 F13 I14 N15 V104 I140 I142 V253 I257V12-I106 HydrophobicContact CG1-CD1 3.71Å; V12-I106 HydrophobicContact CG1-CG1 4.21Å; F13-I106 PolarHBondContact O-N 2.64Å; I14-I106 WeakPolarHBondContact CA-O 3.24Å; I14-I106 HydrophobicContact CD1-CD1 4.26Å; I14-I106 HydrophobicContact CG1-CB 4.18Å; I14-I106 HydrophobicContact CG1-CD1 4.09Å; N15-I106 PolarHBondContact N-O 3.13Å; N15-I106 PolarHBondContact OD1-O 2.78Å; V104-I106 HydrophobicContact CG1-CD1 4.4Å; V104-I106 HydrophobicContact CG1-CG1 4.03Å; I106-I140 CarbonylContact C-O 3.56Å; I106-I140 WeakPolarHBondContact CA-O 3.2Å; I106-I140 HydrophobicContact CG1-CB 4.4Å; I106-I142 HydrophobicContact CG2-CD1 3.74Å; I106-I142 HydrophobicContact CG2-CG1 4.11Å; I106-V253 HydrophobicContact CD1-CG1 3.78Å; I106-I257 HydrophobicContact CD1-CD1 4.19Å
107Y96.3Very high91.7Very high0 Ų037.1 Ų37.10%020%0.198CC..EExtended strand (participates in β ladder)trans-110.2115.9172.7-93.8-84.1000109.6F13 N15 L99 I105 E118 A119 A122 F139 I140 L141 I142F13-Y107 HydrophobicContact CD1-CE2 4.35Å; F13-Y107 HydrophobicContact CE1-CE1 4.49Å; F13-Y107 AromaticContact CE1-CE2 3.88Å; F13-Y107 HydrophobicContact CE1-CE2 3.88Å; F13-Y107 AromaticContact CE1-CZ 3.83Å; N15-Y107 HydrophobicContact CB-CD1 3.76Å; N15-Y107 HydrophobicContact CB-CE1 3.71Å; N15-Y107 VanDerWaalsContact OD1-CA 3.3Å; N15-Y107 WeakPolarHBondContact OD1-CA 3.44Å; L99-Y107 HydrophobicContact CD2-CE2 4.4Å; I105-Y107 HydrophobicContact CG2-CD2 3.77Å; I105-Y107 HydrophobicContact CG2-CE2 3.8Å; Y107-E118 HydrophobicContact CE1-CG 4.23Å; Y107-E118 VanDerWaalsContact CE1-OE1 3.27Å; Y107-E118 WeakPolarHBondContact CE1-OE1 3.31Å; Y107-E118 PolarHBondContact OH-OE1 2.86Å; Y107-A119 HydrophobicContact CD1-CB 3.63Å; Y107-A119 HydrophobicContact CE1-CB 4.25Å; Y107-A119 HydrophobicContact CG-CB 3.84Å; Y107-A122 HydrophobicContact CE2-CB 3.69Å; Y107-F139 AromaticContact CD2-CE2 3.51Å; Y107-F139 HydrophobicContact CD2-CE2 3.51Å; Y107-F139 AromaticContact CD2-CZ 3.68Å; Y107-F139 HydrophobicContact CD2-CZ 3.68Å; Y107-F139 HydrophobicContact CE2-CE2 4.08Å; Y107-F139 HydrophobicContact CG-CE2 4.44Å; Y107-F139 HydrophobicContact CG-CZ 4.18Å; Y107-I140 PolarHBondContact N-O 3.14Å; Y107-L141 CarbonylContact O-C 3.54Å; Y107-L141 WeakPolarHBondContact O-CA 3.46Å; Y107-I142 PolarHBondContact O-N 3.47Å
108N95.4Very high91.8Very high7 Ų736.5 Ų36.54%0.03719%0.188CC..EExtended strand (participates in β ladder)trans-97.2117.6173.2-168.20.1000110.4N15 S21 S22 S110 I142N15-N108 PolarHBondContact ND2-O 2.95Å; N15-N108 PolarHBondContact OD1-N 3.38Å; S21-N108 VanDerWaalsContact CB-ND2 3.25Å; S21-N108 WeakPolarHBondContact CB-ND2 3.35Å; S21-N108 PolarHBondContact OG-ND2 2.95Å; S22-N108 WeakPolarHBondContact OG-CB 3.29Å; S22-N108 PolarHBondContact OG-ND2 2.87Å; N108-S110 PolarHBondContact OD1-N 3.3Å; N108-S110 VanDerWaalsContact OD1-N 3.13Å; N108-S110 PolarHBondContact OD1-OG 3.49Å; N108-I142 HydrophobicContact CB-CB 4.3Å; N108-I142 HydrophobicContact CB-CD1 4.43Å
109I94.5Very high92Very high0 Ų034.1 Ų34.10%018%0.177CC..  trans-118.8717864165.5000111.6Q111 Q115 V116 A119 L141 I142 H180 L183I109-Q111 VanDerWaalsContact C-N 3.33Å; I109-Q115 HydrophobicContact CG2-CB 4.09Å; I109-V116 HydrophobicContact CB-CG2 4.03Å; I109-V116 HydrophobicContact CD1-CG2 4.22Å; I109-V116 HydrophobicContact CG2-CG2 4.23Å; I109-A119 HydrophobicContact CG2-CB 4.09Å; I109-L141 HydrophobicContact CD1-CD1 3.97Å; I109-L141 HydrophobicContact CD1-CD2 4.02Å; I109-L141 HydrophobicContact CD1-CG 4.16Å; I109-L141 HydrophobicContact CG1-CD1 4.06Å; I109-L141 HydrophobicContact CG1-CG 4.38Å; I109-L141 HydrophobicContact CG2-CD1 4.01Å; I109-I142 VanDerWaalsContact CG1-O 3.23Å; I109-I142 WeakPolarHBondContact CG1-O 3.44Å; I109-I142 PolarHBondContact N-O 2.93Å; I109-H180 HydrophobicContact CD1-CB 4.29Å; I109-H180 PolarHBondContact O-CD2 3.13Å; I109-H180 PolarHBondContact O-NE2 3.15Å; I109-L183 HydrophobicContact CD1-CD2 3.94Å; I109-L183 HydrophobicContact CG2-CD2 4.41Å
110S90.6Very high92.1Very high24 Ų2434.9 Ų34.917%0.16818%0.183CC..SBendtrans-73.8-26.1-175.1740000112.7N108 Q208N108-S110 PolarHBondContact OD1-N 3.3Å; N108-S110 VanDerWaalsContact OD1-N 3.13Å; N108-S110 PolarHBondContact OD1-OG 3.49Å; S110-Q208 PolarHBondContact OG-NE2 3.47Å
111Q85Confident92.4Very high82 Ų8235.9 Ų35.938%0.38318%0.184SC..SBendtrans-102.7-34.9-176.6-53.1-163.4-8000113.5S21 I109S21-Q111 VanDerWaalsContact CB-CD 3.49Å; I109-Q111 VanDerWaalsContact C-N 3.33Å
112D84.8Confident92.6Very high54 Ų5431.6 Ų31.629%0.28916%0.164SC..  trans-127.3120.8-174.717812.3000110.6D114 Q115D112-D114 VanDerWaalsContact C-N 3.32Å; D112-D114 WeakPolarHBondContact OD1-CB 3.29Å; D112-D114 PolarHBondContact OD1-N 3.39Å; D112-Q115 HydrophobicContact CB-CG 3.93Å; D112-Q115 WeakPolarHBondContact OD2-CG 3.46Å; D112-Q115 PolarHBondContact OD2-NE2 3.41Å; D112-Q115 VanDerWaalsContact OD2-NE2 3.11Å
113A85.6Confident92.8Very high48 Ų4831.6 Ų31.640%0.39716%0.164SC..SBendtrans-73.5-22-179.500000113.1Q115 V116A113-Q115 PolarHBondContact O-N 3.21Å; A113-V116 WeakPolarHBondContact O-CB 3.17Å; A113-V116 VanDerWaalsContact O-CG2 3.26Å; A113-V116 WeakPolarHBondContact O-CG2 3.48Å; A113-V116 PolarHBondContact O-N 3.1Å
114D87.4Confident92.9Very high131 Ų13133.5 Ų33.570%0.70117%0.172SC*.THydrogen-bonded Turntrans-70.5-26.3-179.8-70.4-21.3000111.5D112 V116D112-D114 VanDerWaalsContact C-N 3.32Å; D112-D114 WeakPolarHBondContact OD1-CB 3.29Å; D112-D114 PolarHBondContact OD1-N 3.39Å; D114-V116 PolarHBondContact O-N 3.37Å
115Q90.8Very high92.8Very high21 Ų2133.9 Ų33.910%0.09818%0.175CC..Hα-helixtrans-66.6-16.6175.5-57.9-53.8-54.200113.5N15 N16 I109 D112 A113 E117 E118 A119N15-Q115 PolarHBondContact ND2-OE1 2.83Å; N16-Q115 PolarHBondContact ND2-NE2 3.29Å; I109-Q115 HydrophobicContact CG2-CB 4.09Å; D112-Q115 HydrophobicContact CB-CG 3.93Å; D112-Q115 WeakPolarHBondContact OD2-CG 3.46Å; D112-Q115 PolarHBondContact OD2-NE2 3.41Å; D112-Q115 VanDerWaalsContact OD2-NE2 3.11Å; A113-Q115 PolarHBondContact O-N 3.21Å; Q115-E117 PolarHBondContact O-N 3.29Å; Q115-E118 PolarHBondContact O-N 3.41Å; Q115-A119 VanDerWaalsContact O-CB 3.27Å; Q115-A119 WeakPolarHBondContact O-CB 3.08Å; Q115-A119 PolarHBondContact O-N 3.03Å
116V93.6Very high92.7Very high4 Ų433.9 Ų33.92%0.02418%0.175CC..Hα-helixtrans-64.7-41-177.8178.30000111.5I109 A113 D114 S120 K179 L183I109-V116 HydrophobicContact CB-CG2 4.03Å; I109-V116 HydrophobicContact CD1-CG2 4.22Å; I109-V116 HydrophobicContact CG2-CG2 4.23Å; A113-V116 WeakPolarHBondContact O-CB 3.17Å; A113-V116 VanDerWaalsContact O-CG2 3.26Å; A113-V116 WeakPolarHBondContact O-CG2 3.48Å; A113-V116 PolarHBondContact O-N 3.1Å; D114-V116 PolarHBondContact O-N 3.37Å; V116-S120 WeakPolarHBondContact O-CB 3.31Å; V116-S120 PolarHBondContact O-N 3.33Å; V116-K179 HydrophobicContact CG1-CB 3.87Å; V116-L183 HydrophobicContact CB-CD2 4.49Å; V116-L183 HydrophobicContact CG1-CB 4.11Å; V116-L183 HydrophobicContact CG1-CD2 3.86Å
117E92.8Very high92.6Very high106 Ų10635.5 Ų35.550%0.49518%0.183SC..Hα-helixtrans-70.8-39.2-179.9-61.4-63.9165.300111.4Q115 S120 W121 K179Q115-E117 PolarHBondContact O-N 3.29Å; E117-S120 PolarHBondContact O-N 2.84Å; E117-W121 PolarHBondContact O-N 3.3Å; E117-K179 IonicContact OE1-NZ 3.28Å; E117-K179 PolarHBondContact OE1-NZ 3.35Å
118E93.8Very high92.4Very high55 Ų5540.7 Ų40.726%0.25721%0.21SC..Hα-helixtrans-63.6-49.8174.8-170.9-175.1116.900111L95 Y107 Q115 S120 W121 A122L95-E118 HydrophobicContact CD2-CG 4.19Å; L95-E118 WeakPolarHBondContact CD2-OE1 3.45Å; Y107-E118 HydrophobicContact CE1-CG 4.23Å; Y107-E118 VanDerWaalsContact CE1-OE1 3.27Å; Y107-E118 WeakPolarHBondContact CE1-OE1 3.31Å; Y107-E118 PolarHBondContact OH-OE1 2.86Å; Q115-E118 PolarHBondContact O-N 3.41Å; E118-S120 VanDerWaalsContact C-N 3.3Å; E118-S120 PolarHBondContact O-N 3.24Å; E118-W121 HydrophobicContact CG-CE3 4.49Å; E118-W121 PolarHBondContact O-N 3.36Å; E118-W121 VanDerWaalsContact O-N 3.12Å; E118-A122 WeakPolarHBondContact O-CB 3.37Å; E118-A122 PolarHBondContact O-N 2.94Å
119A95.1Very high92.2Very high0 Ų043.9 Ų43.90%023%0.225CC..Hα-helixtrans-60.4-39.6178.700000112.1Y107 I109 Q115 A122 V123 L141 L183Y107-A119 HydrophobicContact CD1-CB 3.63Å; Y107-A119 HydrophobicContact CE1-CB 4.25Å; Y107-A119 HydrophobicContact CG-CB 3.84Å; I109-A119 HydrophobicContact CG2-CB 4.09Å; Q115-A119 VanDerWaalsContact O-CB 3.27Å; Q115-A119 WeakPolarHBondContact O-CB 3.08Å; Q115-A119 PolarHBondContact O-N 3.03Å; A119-A122 PolarHBondContact O-N 3.29Å; A119-V123 WeakPolarHBondContact O-CG1 3.47Å; A119-V123 PolarHBondContact O-N 3.31Å; A119-L141 HydrophobicContact CB-CD1 4.28Å; A119-L183 HydrophobicContact CB-CD2 3.72Å
120S95.8Very high91.9Very high16 Ų1646.8 Ų46.811%0.11224%0.236CC..Hα-helixtrans-61.8-40.9174.6-176.50000112.6V116 E117 E118 V123 K124 L183V116-S120 WeakPolarHBondContact O-CB 3.31Å; V116-S120 PolarHBondContact O-N 3.33Å; E117-S120 PolarHBondContact O-N 2.84Å; E118-S120 VanDerWaalsContact C-N 3.3Å; E118-S120 PolarHBondContact O-N 3.24Å; S120-V123 WeakPolarHBondContact O-CG1 3.38Å; S120-K124 VanDerWaalsContact O-CD 3.29Å; S120-K124 WeakPolarHBondContact O-CD 3.38Å; S120-K124 VanDerWaalsContact O-CG 3.28Å; S120-K124 WeakPolarHBondContact O-CG 3.48Å; S120-K124 PolarHBondContact OG-NZ 3.21Å; S120-L183 VanDerWaalsContact CA-CD1 3.46Å
121W95.8Very high91.8Very high61 Ų6153.2 Ų53.223%0.23126%0.263CS..Hα-helixtrans-69.1-46.9173.816580.1000111.2K92 L95 L96 E117 E118 V123 K124 A125K92-W121 HydrophobicContact CB-CH2 3.98Å; K92-W121 HydrophobicContact CB-CZ2 3.65Å; K92-W121 HydrophobicContact CD-CD2 4.2Å; K92-W121 HydrophobicContact CD-CG 4.47Å; K92-W121 HydrophobicContact CD-CZ2 4.36Å; K92-W121 HydrophobicContact CG-CD2 4.39Å; K92-W121 HydrophobicContact CG-CH2 4.34Å; K92-W121 HydrophobicContact CG-CZ2 4.1Å; K92-W121 WeakPolarHBondContact O-CH2 3.45Å; K92-W121 WeakPolarHBondContact O-CZ2 3.42Å; L95-W121 HydrophobicContact CB-CH2 4.49Å; L95-W121 HydrophobicContact CD2-CZ3 3.82Å; L95-W121 HydrophobicContact CG-CZ3 4.21Å; L96-W121 HydrophobicContact CB-CH2 4.04Å; L96-W121 HydrophobicContact CB-CZ2 4.31Å; E117-W121 PolarHBondContact O-N 3.3Å; E118-W121 HydrophobicContact CG-CE3 4.49Å; E118-W121 PolarHBondContact O-N 3.36Å; E118-W121 VanDerWaalsContact O-N 3.12Å; W121-V123 PolarHBondContact O-N 3.38Å; W121-K124 PolarHBondContact O-N 2.84Å; W121-A125 HydrophobicContact CZ2-CB 4.19Å; W121-A125 WeakPolarHBondContact O-CB 3.47Å; W121-A125 PolarHBondContact O-N 2.99Å
122A94.9Very high92Very high0 Ų054.5 Ų54.50%027%0.273CS..Hα-helixtrans-59.8-47.3-175.700000111.9L99 Y107 E118 A119 K124 A125 L126L99-A122 HydrophobicContact CD1-CB 3.99Å; Y107-A122 HydrophobicContact CE2-CB 3.69Å; E118-A122 WeakPolarHBondContact O-CB 3.37Å; E118-A122 PolarHBondContact O-N 2.94Å; A119-A122 PolarHBondContact O-N 3.29Å; A122-K124 VanDerWaalsContact C-N 3.32Å; A122-K124 PolarHBondContact O-N 3.28Å; A122-A125 PolarHBondContact O-N 3.3Å; A122-L126 WeakPolarHBondContact O-CB 3.18Å; A122-L126 WeakPolarHBondContact O-CD1 3.46Å; A122-L126 VanDerWaalsContact O-CG 3.23Å; A122-L126 WeakPolarHBondContact O-CG 3.47Å; A122-L126 PolarHBondContact O-N 3.24Å
123V95.3Very high92.3Very high0 Ų053.3 Ų53.30%027%0.265CS..Hα-helixtrans-64-36.3179.470.70000112.6A119 S120 W121 H127 F139 L183 V186 V187 V190 F198A119-V123 WeakPolarHBondContact O-CG1 3.47Å; A119-V123 PolarHBondContact O-N 3.31Å; S120-V123 WeakPolarHBondContact O-CG1 3.38Å; W121-V123 PolarHBondContact O-N 3.38Å; V123-H127 WeakPolarHBondContact O-CB 3.32Å; V123-H127 PolarHBondContact O-N 3.5Å; V123-F139 HydrophobicContact CB-CD1 4.49Å; V123-F139 HydrophobicContact CB-CE1 4.04Å; V123-F139 HydrophobicContact CB-CE2 4.07Å; V123-F139 HydrophobicContact CB-CZ 3.82Å; V123-F139 HydrophobicContact CG2-CD1 4.08Å; V123-F139 HydrophobicContact CG2-CE1 4.08Å; V123-F139 HydrophobicContact CG2-CG 4.31Å; V123-F139 HydrophobicContact CG2-CZ 4.3Å; V123-L183 HydrophobicContact CG1-CD1 4.36Å; V123-V186 HydrophobicContact CG1-CG1 4.04Å; V123-V187 HydrophobicContact CG1-CG2 4.35Å; V123-V187 HydrophobicContact CG2-CG2 4.28Å; V123-V190 HydrophobicContact CG2-CB 4.38Å; V123-V190 HydrophobicContact CG2-CG1 4.08Å; V123-V190 HydrophobicContact CG2-CG2 4.48Å; V123-F198 HydrophobicContact CG2-CE1 4.3Å; V123-F198 HydrophobicContact CG2-CZ 4.36Å
124K94.9Very high92.3Very high94 Ų9457.2 Ų57.241%0.40928%0.284SS..Hα-helixtrans-70.7-47.4176.5-70.7169.8-173.6150.60111S120 W121 A122 L126 H127 D128 V186S120-K124 VanDerWaalsContact O-CD 3.29Å; S120-K124 WeakPolarHBondContact O-CD 3.38Å; S120-K124 VanDerWaalsContact O-CG 3.28Å; S120-K124 WeakPolarHBondContact O-CG 3.48Å; S120-K124 PolarHBondContact OG-NZ 3.21Å; W121-K124 PolarHBondContact O-N 2.84Å; A122-K124 VanDerWaalsContact C-N 3.32Å; A122-K124 PolarHBondContact O-N 3.28Å; K124-L126 VanDerWaalsContact C-N 3.31Å; K124-L126 PolarHBondContact O-N 2.89Å; K124-H127 WeakPolarHBondContact O-CB 3.3Å; K124-H127 PolarHBondContact O-N 3.41Å; K124-H127 VanDerWaalsContact O-N 3.12Å; K124-D128 VanDerWaalsContact O-CG 3.24Å; K124-D128 PolarHBondContact O-N 3.48Å; K124-V186 HydrophobicContact CG-CG1 4.37Å
125A94.3Very high92.3Very high9 Ų952.6 Ų52.67%0.07426%0.262CS..Hα-helixtrans-59.3-42.7178.700000111.6L96 W121 A122 D128 H129L96-A125 HydrophobicContact CD1-CB 3.93Å; W121-A125 HydrophobicContact CZ2-CB 4.19Å; W121-A125 WeakPolarHBondContact O-CB 3.47Å; W121-A125 PolarHBondContact O-N 2.99Å; A122-A125 PolarHBondContact O-N 3.3Å; A125-D128 PolarHBondContact O-N 3.47Å; A125-H129 PolarHBondContact O-N 2.84Å; A125-H129 VanDerWaalsContact O-N 3.13Å; A125-H129 PolarHBondContact O-ND1 2.82Å
126L93.7Very high92.3Very high0 Ų055.8 Ų55.80%029%0.285CS..Hα-helixtrans-63.6-43.4174.3-72.3164.3000112.1L99 M100 I105 A122 K124 D128 H129 R130 F133 K137 F139 F198L99-L126 HydrophobicContact CB-CD2 4.15Å; M100-L126 HydrophobicContact SD-CD2 3.97Å; I105-L126 HydrophobicContact CD1-CD1 3.6Å; I105-L126 HydrophobicContact CD1-CD2 4.03Å; I105-L126 HydrophobicContact CD1-CG 4.48Å; A122-L126 WeakPolarHBondContact O-CB 3.18Å; A122-L126 WeakPolarHBondContact O-CD1 3.46Å; A122-L126 VanDerWaalsContact O-CG 3.23Å; A122-L126 WeakPolarHBondContact O-CG 3.47Å; A122-L126 PolarHBondContact O-N 3.24Å; K124-L126 VanDerWaalsContact C-N 3.31Å; K124-L126 PolarHBondContact O-N 2.89Å; L126-D128 VanDerWaalsContact C-N 3.3Å; L126-D128 PolarHBondContact O-N 2.89Å; L126-H129 CarbonylContact O-C 3.59Å; L126-H129 PolarHBondContact O-N 2.85Å; L126-R130 PolarHBondContact O-N 3.1Å; L126-R130 VanDerWaalsContact O-N 3.12Å; L126-F133 HydrophobicContact CB-CZ 4.27Å; L126-F133 HydrophobicContact CD2-CE1 4.41Å; L126-F133 HydrophobicContact CD2-CZ 4.41Å; L126-F133 WeakPolarHBondContact O-CE1 3.3Å; L126-F133 WeakPolarHBondContact O-CZ 3.14Å; L126-K137 HydrophobicContact CD2-CD 4.39Å; L126-F139 HydrophobicContact CD1-CD2 3.94Å; L126-F139 HydrophobicContact CD1-CE2 4.29Å; L126-F198 HydrophobicContact CB-CE1 4.25Å; L126-F198 HydrophobicContact CB-CE2 4.33Å; L126-F198 HydrophobicContact CB-CZ 3.79Å; L126-F198 HydrophobicContact CD1-CZ 4.23Å
127H93.4Very high92.3Very high34 Ų3455.8 Ų55.816%0.15728%0.284CS..Hα-helixtrans-63.5-36.5177.5174.6-90.7000112.9V123 K124 R130 V190 S193 F198V123-H127 WeakPolarHBondContact O-CB 3.32Å; V123-H127 PolarHBondContact O-N 3.5Å; K124-H127 WeakPolarHBondContact O-CB 3.3Å; K124-H127 PolarHBondContact O-N 3.41Å; K124-H127 VanDerWaalsContact O-N 3.12Å; H127-R130 PolarHBondContact CE1-NH1 2.71Å; H127-R130 WeakPolarHBondContact O-CB 3.23Å; H127-R130 WeakPolarHBondContact O-CD 3.4Å; H127-R130 VanDerWaalsContact O-CG 3.24Å; H127-R130 WeakPolarHBondContact O-CG 3.43Å; H127-R130 PolarHBondContact O-N 2.86Å; H127-R130 PolarHBondContact O-NH1 3.12Å; H127-V190 HydrophobicContact CB-CG1 3.75Å; H127-V190 HydrophobicContact CB-CG2 4.42Å; H127-S193 PolarHBondContact NE2-OG 2.94Å; H127-F198 HydrophobicContact CB-CD1 4.48Å; H127-F198 HydrophobicContact CB-CE1 4.27Å
128D92.6Very high92.4Very high109 Ų10951.1 Ų51.158%0.58326%0.263SS*.Hα-helixtrans-70.5-34.8179.3-66.8-16.4000111.5K124 A125 L126K124-D128 VanDerWaalsContact O-CG 3.24Å; K124-D128 PolarHBondContact O-N 3.48Å; A125-D128 PolarHBondContact O-N 3.47Å; L126-D128 VanDerWaalsContact C-N 3.3Å; L126-D128 PolarHBondContact O-N 2.89Å
129H90.8Very high92.5Very high74 Ų7448.5 Ų48.534%0.34325%0.25SS..THydrogen-bonded Turntrans-9520176.5-60.882.6000113.5M100 A125 L126 E131 D132 F133M100-H129 HydrophobicContact CE-CB 4.07Å; M100-H129 HydrophobicContact SD-CB 4.41Å; A125-H129 PolarHBondContact O-N 2.84Å; A125-H129 VanDerWaalsContact O-N 3.13Å; A125-H129 PolarHBondContact O-ND1 2.82Å; L126-H129 CarbonylContact O-C 3.59Å; L126-H129 PolarHBondContact O-N 2.85Å; H129-E131 PolarHBondContact O-N 3.18Å; H129-E131 VanDerWaalsContact O-N 3.11Å; H129-D132 IonicContact CD2-OD2 3.41Å; H129-D132 PolarHBondContact O-N 3.38Å; H129-F133 VanDerWaalsContact O-CD1 3.28Å; H129-F133 WeakPolarHBondContact O-CD1 3.48Å; H129-F133 WeakPolarHBondContact O-CE1 3.38Å
130R88.9Confident92.6Very high61 Ų6148.5 Ų48.523%0.2325%0.25CS..G310 helixtrans-60.7-23.4-176.770.4-175.5178-80-12.7114.3L126 H127 D132 F133L126-R130 PolarHBondContact O-N 3.1Å; L126-R130 VanDerWaalsContact O-N 3.12Å; H127-R130 PolarHBondContact CE1-NH1 2.71Å; H127-R130 WeakPolarHBondContact O-CB 3.23Å; H127-R130 WeakPolarHBondContact O-CD 3.4Å; H127-R130 VanDerWaalsContact O-CG 3.24Å; H127-R130 WeakPolarHBondContact O-CG 3.43Å; H127-R130 PolarHBondContact O-N 2.86Å; H127-R130 PolarHBondContact O-NH1 3.12Å; R130-D132 VanDerWaalsContact C-N 3.31Å; R130-F133 HydrophobicContact CB-CD2 4.45Å; R130-F133 HydrophobicContact CB-CE2 4.06Å; R130-F133 HydrophobicContact CB-CZ 4.16Å; R130-F133 WeakPolarHBondContact O-CG 3.29Å
131E88.1Confident92.7Very high159 Ų15947.8 Ų47.874%0.74325%0.245SC*.G310 helixtrans-76.7-22.9179.1-64.3180-169.600111.8H129 F133H129-E131 PolarHBondContact O-N 3.18Å; H129-E131 VanDerWaalsContact O-N 3.11Å; E131-F133 VanDerWaalsContact C-N 3.28Å; E131-F133 PolarHBondContact O-N 3Å
132D89.9Confident92.8Very high109 Ų10944.9 Ų44.958%0.58323%0.234SC*.G310 helixtrans-88.15.5179.5-56.9-41.7000112.6M100 H129 R130 T134M100-D132 HydrophobicContact CE-CB 3.91Å; H129-D132 IonicContact CD2-OD2 3.41Å; H129-D132 PolarHBondContact O-N 3.38Å; R130-D132 VanDerWaalsContact C-N 3.31Å; D132-T134 PolarHBondContact O-N 3.1Å
133F90.1Very high92.8Very high28 Ų2844.9 Ų44.912%0.12323%0.234CC..  trans-71.5122.7-177.7-71.21.1000111.4M100 L126 H129 R130 E131 S135 K137 I197 F198M100-F133 HydrophobicContact CE-CD1 3.66Å; M100-F133 HydrophobicContact CE-CE1 3.88Å; M100-F133 HydrophobicContact SD-CD1 3.92Å; M100-F133 HydrophobicContact SD-CE1 3.59Å; M100-F133 VanDerWaalsContact SD-CE1 3.59Å; L126-F133 HydrophobicContact CB-CZ 4.27Å; L126-F133 HydrophobicContact CD2-CE1 4.41Å; L126-F133 HydrophobicContact CD2-CZ 4.41Å; L126-F133 WeakPolarHBondContact O-CE1 3.3Å; L126-F133 WeakPolarHBondContact O-CZ 3.14Å; H129-F133 VanDerWaalsContact O-CD1 3.28Å; H129-F133 WeakPolarHBondContact O-CD1 3.48Å; H129-F133 WeakPolarHBondContact O-CE1 3.38Å; R130-F133 HydrophobicContact CB-CD2 4.45Å; R130-F133 HydrophobicContact CB-CE2 4.06Å; R130-F133 HydrophobicContact CB-CZ 4.16Å; R130-F133 WeakPolarHBondContact O-CG 3.29Å; E131-F133 VanDerWaalsContact C-N 3.28Å; E131-F133 PolarHBondContact O-N 3Å; F133-S135 VanDerWaalsContact C-N 3.28Å; F133-S135 PolarHBondContact O-N 2.94Å; F133-K137 HydrophobicContact CD1-CD 3.96Å; F133-K137 HydrophobicContact CD2-CB 4.29Å; F133-K137 HydrophobicContact CD2-CD 3.91Å; F133-K137 HydrophobicContact CD2-CG 4.07Å; F133-K137 HydrophobicContact CE1-CD 3.78Å; F133-K137 HydrophobicContact CE2-CB 4.06Å; F133-K137 HydrophobicContact CE2-CD 3.73Å; F133-K137 HydrophobicContact CE2-CG 4.15Å; F133-K137 HydrophobicContact CG-CD 4.04Å; F133-K137 HydrophobicContact CG-CG 4.43Å; F133-K137 HydrophobicContact CZ-CD 3.67Å; F133-I197 HydrophobicContact CB-CG2 4.48Å; F133-I197 HydrophobicContact CD2-CG2 3.74Å; F133-I197 HydrophobicContact CE2-CG2 4.46Å; F133-F198 HydrophobicContact CE2-CB 3.97Å; F133-F198 AromaticContact CE2-CD2 3.86Å; F133-F198 HydrophobicContact CE2-CD2 3.86Å; F133-F198 AromaticContact CE2-CG 4Å; F133-F198 HydrophobicContact CE2-CG 4Å; F133-F198 HydrophobicContact CZ-CD2 4.34Å
134T85.8Confident92.8Very high131 Ų13145.1 Ų45.180%0.80424%0.236SC*.SBendtrans-72-23.7173.455.80000113D132D132-T134 PolarHBondContact O-N 3.1Å
135S87.4Confident92.8Very high33 Ų3340.7 Ų40.723%0.23122%0.216CC..SBendtrans-153.3156-179.959.60000110.3F133 K137F133-S135 VanDerWaalsContact C-N 3.28Å; F133-S135 PolarHBondContact O-N 2.94Å; S135-K137 PolarHBondContact O-N 3.39Å
136P90.4Very high92.8Very high89 Ų8940.3 Ų40.358%0.57821%0.213SC*.  trans-53.5137.4173.5-25.234.1000111.8I197P136-I197 WeakPolarHBondContact CA-O 3.19Å
137K93.4Very high92.8Very high3 Ų340.3 Ų40.31%0.01321%0.213CC..EExtended strand (participates in β ladder)trans-113.9146.6-179.3-69.6-178.7-175.4-79.30111.3L99 M100 C102 Q103 I105 L126 F133 S135 I197 F198 S199L99-K137 PolarHBondContact O-NZ 3.11Å; M100-K137 PolarHBondContact O-NZ 2.82Å; C102-K137 PolarHBondContact O-NZ 2.78Å; Q103-K137 WeakPolarHBondContact O-CA 3.46Å; I105-K137 HydrophobicContact CD1-CD 4.4Å; L126-K137 HydrophobicContact CD2-CD 4.39Å; F133-K137 HydrophobicContact CD1-CD 3.96Å; F133-K137 HydrophobicContact CD2-CB 4.29Å; F133-K137 HydrophobicContact CD2-CD 3.91Å; F133-K137 HydrophobicContact CD2-CG 4.07Å; F133-K137 HydrophobicContact CE1-CD 3.78Å; F133-K137 HydrophobicContact CE2-CB 4.06Å; F133-K137 HydrophobicContact CE2-CD 3.73Å; F133-K137 HydrophobicContact CE2-CG 4.15Å; F133-K137 HydrophobicContact CG-CD 4.04Å; F133-K137 HydrophobicContact CG-CG 4.43Å; F133-K137 HydrophobicContact CZ-CD 3.67Å; S135-K137 PolarHBondContact O-N 3.39Å; K137-I197 PolarHBondContact N-O 2.9Å; K137-F198 HydrophobicContact CB-CD2 3.93Å; K137-F198 HydrophobicContact CB-CE2 4.27Å; K137-S199 PolarHBondContact O-N 3.38Å
138I95Very high92.8Very high9 Ų938.8 Ų38.85%0.04621%0.206CC..EExtended strand (participates in β ladder)trans-115.1126174-50.3175.7000108.2Q103 V104 I105 I140 S199 Y201 Q260Q103-I138 PolarHBondContact O-N 2.85Å; V104-I138 CarbonylContact C-O 3.57Å; V104-I138 WeakPolarHBondContact CA-O 3.41Å; V104-I138 HydrophobicContact CG2-CB 4.46Å; V104-I138 HydrophobicContact CG2-CD1 4.33Å; I105-I138 PolarHBondContact N-O 3.37Å; I138-I140 HydrophobicContact CG2-CD1 4.23Å; I138-I140 HydrophobicContact CG2-CG1 3.9Å; I138-S199 CarbonylContact C-O 3.6Å; I138-S199 WeakPolarHBondContact CA-O 3.49Å; I138-Y201 HydrophobicContact CG2-CD2 3.89Å; I138-Y201 HydrophobicContact CG2-CE2 3.99Å; I138-Q260 HydrophobicContact CD1-CG 4.09Å; I138-Q260 VanDerWaalsContact CD1-NE2 3.34Å
139F96.8Very high92.7Very high0 Ų034.7 Ų34.70%019%0.187CC..EExtended strand (participates in β ladder)trans-110.4123.6171.9-172.2-86.6000109.4I105 Y107 V123 L126 L141 V187 F198 S199 T200 Y201I105-F139 HydrophobicContact CB-CD2 4.08Å; I105-F139 HydrophobicContact CG2-CD2 3.66Å; I105-F139 HydrophobicContact CG2-CE2 3.79Å; I105-F139 CarbonylContact O-C 3.59Å; I105-F139 WeakPolarHBondContact O-CA 3.49Å; Y107-F139 AromaticContact CD2-CE2 3.51Å; Y107-F139 HydrophobicContact CD2-CE2 3.51Å; Y107-F139 AromaticContact CD2-CZ 3.68Å; Y107-F139 HydrophobicContact CD2-CZ 3.68Å; Y107-F139 HydrophobicContact CE2-CE2 4.08Å; Y107-F139 HydrophobicContact CG-CE2 4.44Å; Y107-F139 HydrophobicContact CG-CZ 4.18Å; V123-F139 HydrophobicContact CB-CD1 4.49Å; V123-F139 HydrophobicContact CB-CE1 4.04Å; V123-F139 HydrophobicContact CB-CE2 4.07Å; V123-F139 HydrophobicContact CB-CZ 3.82Å; V123-F139 HydrophobicContact CG2-CD1 4.08Å; V123-F139 HydrophobicContact CG2-CE1 4.08Å; V123-F139 HydrophobicContact CG2-CG 4.31Å; V123-F139 HydrophobicContact CG2-CZ 4.3Å; L126-F139 HydrophobicContact CD1-CD2 3.94Å; L126-F139 HydrophobicContact CD1-CE2 4.29Å; F139-L141 HydrophobicContact CE1-CB 4.2Å; F139-V187 HydrophobicContact CD1-CG1 4.17Å; F139-V187 HydrophobicContact CE1-CG1 4.42Å; F139-V187 HydrophobicContact CE1-CG2 4.01Å; F139-F198 HydrophobicContact CB-CE2 3.7Å; F139-F198 HydrophobicContact CB-CZ 3.74Å; F139-F198 HydrophobicContact CD2-CZ 4.41Å; F139-F198 HydrophobicContact CG-CZ 4.27Å; F139-S199 PolarHBondContact N-O 2.71Å; F139-T200 HydrophobicContact CB-CG2 4.16Å; F139-T200 CarbonylContact O-C 3.56Å; F139-T200 VanDerWaalsContact O-CA 3.24Å; F139-T200 WeakPolarHBondContact O-CA 3.44Å; F139-Y201 PolarHBondContact O-N 2.81Å
140I97.6Very high92.7Very high0 Ų035 Ų350%019%0.192CC..EExtended strand (participates in β ladder)trans-120119.7179.1-55.6179.7000107.8V104 I105 I106 Y107 I138 Y201 V203 V253 V256 I257V104-I140 HydrophobicContact CG1-CD1 4.49Å; I105-I140 PolarHBondContact O-N 3.05Å; I106-I140 CarbonylContact C-O 3.56Å; I106-I140 WeakPolarHBondContact CA-O 3.2Å; I106-I140 HydrophobicContact CG1-CB 4.4Å; Y107-I140 PolarHBondContact N-O 3.14Å; I138-I140 HydrophobicContact CG2-CD1 4.23Å; I138-I140 HydrophobicContact CG2-CG1 3.9Å; I140-Y201 HydrophobicContact CG1-CD2 4.43Å; I140-V203 HydrophobicContact CG2-CG2 3.97Å; I140-V253 HydrophobicContact CD1-CG1 4.15Å; I140-V256 HydrophobicContact CD1-CB 4.27Å; I140-V256 HydrophobicContact CD1-CG1 3.82Å; I140-V256 HydrophobicContact CG1-CG1 4.27Å; I140-I257 HydrophobicContact CD1-CD1 4.21Å; I140-I257 HydrophobicContact CD1-CG1 3.5Å; I140-I257 VanDerWaalsContact CD1-CG1 3.5Å
141L97.8Very high92.7Very high0 Ų033 Ų330%019%0.187CC..EExtended strand (participates in β ladder)trans-97.5113.3171.5-174.774.3000108.9Y107 I109 A119 F139 S143 L183 E184 V187 Y201 V202 V203Y107-L141 CarbonylContact O-C 3.54Å; Y107-L141 WeakPolarHBondContact O-CA 3.46Å; I109-L141 HydrophobicContact CD1-CD1 3.97Å; I109-L141 HydrophobicContact CD1-CD2 4.02Å; I109-L141 HydrophobicContact CD1-CG 4.16Å; I109-L141 HydrophobicContact CG1-CD1 4.06Å; I109-L141 HydrophobicContact CG1-CG 4.38Å; I109-L141 HydrophobicContact CG2-CD1 4.01Å; A119-L141 HydrophobicContact CB-CD1 4.28Å; F139-L141 HydrophobicContact CE1-CB 4.2Å; L141-S143 PolarHBondContact O-N 3.46Å; L141-L183 HydrophobicContact CD1-CD2 3.93Å; L141-L183 HydrophobicContact CD1-CG 4.45Å; L141-L183 HydrophobicContact CD2-CD2 4.18Å; L141-L183 HydrophobicContact CD2-CG 3.92Å; L141-E184 HydrophobicContact CD2-CG 4.15Å; L141-V187 HydrophobicContact CB-CG2 4.38Å; L141-V187 HydrophobicContact CD2-CG2 3.97Å; L141-Y201 PolarHBondContact N-O 2.69Å; L141-V202 HydrophobicContact CB-CG2 4.45Å; L141-V202 HydrophobicContact CD2-CG2 4.34Å; L141-V202 WeakPolarHBondContact O-CA 3.24Å; L141-V203 PolarHBondContact O-N 2.87Å
142I97.4Very high92.4Very high1 Ų131 Ų311%0.00518%0.18CC..EExtended strand (participates in β ladder)trans-83.9105167.2-56.1173.2000106.9I106 Y107 N108 I109 V203 L249 V253I106-I142 HydrophobicContact CG2-CD1 3.74Å; I106-I142 HydrophobicContact CG2-CG1 4.11Å; Y107-I142 PolarHBondContact O-N 3.47Å; N108-I142 HydrophobicContact CB-CB 4.3Å; N108-I142 HydrophobicContact CB-CD1 4.43Å; I109-I142 VanDerWaalsContact CG1-O 3.23Å; I109-I142 WeakPolarHBondContact CG1-O 3.44Å; I109-I142 PolarHBondContact N-O 2.93Å; I142-V203 CarbonylContact C-O 3.59Å; I142-V203 WeakPolarHBondContact CA-O 3.31Å; I142-L249 HydrophobicContact CG2-CD1 4.49Å; I142-L249 HydrophobicContact CG2-CD2 4.17Å; I142-V253 HydrophobicContact CD1-CG2 3.99Å; I142-V253 HydrophobicContact CG1-CG2 4.19Å
143S95.9Very high92Very high0 Ų028.5 Ų28.50%017%0.17CC..EExtended strand (participates in β ladder)trans-104.3-172.8177.8-164.10000110.7L141 E184 V203 S205L141-S143 PolarHBondContact O-N 3.46Å; S143-E184 WeakPolarHBondContact CB-OE1 3.34Å; S143-E184 PolarHBondContact OG-OE1 2.86Å; S143-V203 PolarHBondContact N-O 3.16Å; S143-S205 PolarHBondContact O-N 2.93Å; S143-S205 PolarHBondContact O-OG 3.48Å; S143-S205 VanDerWaalsContact O-OG 3.09Å
144T94.9Very high91.4Very high5 Ų531.1 Ų31.13%0.03119%0.185CC..EExtended strand (participates in β ladder)trans-123.4146.7-174.5173.90000111.9M146 T147 F177T144-M146 HydrophobicContact CG2-CB 3.85Å; T144-M146 HydrophobicContact CG2-CG 4.32Å; T144-M146 PolarHBondContact O-N 3.39Å; T144-M146 VanDerWaalsContact O-N 3.11Å; T144-M146 WeakPolarHBondContact OG1-CG 3.2Å; T144-M146 PolarHBondContact OG1-N 3.1Å; T144-T147 PolarHBondContact O-N 3.29Å; T144-T147 PolarHBondContact O-OG1 2.89Å; T144-T147 VanDerWaalsContact O-OG1 3.09Å; T144-F177 HydrophobicContact CG2-CD1 3.66Å; T144-F177 HydrophobicContact CG2-CE1 3.83Å
145V94.8Very high91.1Very high0 Ų028.1 Ų28.10%016%0.163CC..G310 helixtrans-58-14.7169.2-71.90000113.9T147 W148 S205 P242 L267 V269 M320V145-T147 PolarHBondContact O-N 2.81Å; V145-W148 WeakPolarHBondContact O-CA 3.31Å; V145-W148 VanDerWaalsContact O-CB 3.31Å; V145-W148 WeakPolarHBondContact O-CB 3.49Å; V145-W148 PolarHBondContact O-N 3.27Å; V145-S205 WeakPolarHBondContact CG1-O 3.19Å; V145-S205 PolarHBondContact N-O 3.2Å; V145-P242 HydrophobicContact CB-CG 4.35Å; V145-P242 HydrophobicContact CG1-CG 4.47Å; V145-P242 HydrophobicContact CG2-CG 4.01Å; V145-L267 HydrophobicContact CG1-CD1 3.88Å; V145-V269 HydrophobicContact CG1-CG1 4.23Å; V145-M320 HydrophobicContact CB-CE 4.46Å; V145-M320 HydrophobicContact CB-SD 4.05Å; V145-M320 HydrophobicContact CG1-CE 4.3Å; V145-M320 HydrophobicContact CG1-SD 3.51Å; V145-M320 VanDerWaalsContact CG1-SD 3.51Å
146M94.4Very high90.7Very high1 Ų131.9 Ų31.91%0.00519%0.187CC..G310 helixtrans-59-18172.8-63.9-58.9-75.600113.6T144 W148 A149 H174 F177 E312 V316T144-M146 HydrophobicContact CG2-CB 3.85Å; T144-M146 HydrophobicContact CG2-CG 4.32Å; T144-M146 PolarHBondContact O-N 3.39Å; T144-M146 VanDerWaalsContact O-N 3.11Å; T144-M146 WeakPolarHBondContact OG1-CG 3.2Å; T144-M146 PolarHBondContact OG1-N 3.1Å; M146-W148 PolarHBondContact O-N 3.43Å; M146-A149 HydrophobicContact CE-CB 4.42Å; M146-A149 PolarHBondContact O-N 3.1Å; M146-A149 HydrophobicContact SD-CB 4.47Å; M146-H174 HydrophobicContact CE-CB 4.16Å; M146-H174 PolarHBondContact O-N 3.23Å; M146-H174 VanDerWaalsContact O-N 3.08Å; M146-F177 HydrophobicContact CB-CB 4.09Å; M146-F177 HydrophobicContact CB-CD1 3.63Å; M146-F177 HydrophobicContact CB-CD2 3.52Å; M146-F177 HydrophobicContact CB-CE1 3.86Å; M146-F177 HydrophobicContact CB-CE2 3.75Å; M146-F177 HydrophobicContact CB-CG 3.45Å; M146-F177 VanDerWaalsContact CB-CG 3.45Å; M146-F177 HydrophobicContact CB-CZ 3.91Å; M146-F177 HydrophobicContact CE-CD2 3.95Å; M146-F177 HydrophobicContact CE-CE2 3.54Å; M146-F177 HydrophobicContact CE-CZ 4.31Å; M146-F177 HydrophobicContact CG-CD1 4.25Å; M146-F177 HydrophobicContact CG-CD2 4.03Å; M146-F177 HydrophobicContact CG-CE1 3.94Å; M146-F177 HydrophobicContact CG-CE2 3.7Å; M146-F177 HydrophobicContact CG-CG 4.29Å; M146-F177 HydrophobicContact CG-CZ 3.65Å; M146-F177 HydrophobicContact SD-CE2 4.44Å; M146-E312 HydrophobicContact CE-CB 4.26Å; M146-E312 WeakPolarHBondContact CE-O 3.4Å; M146-V316 HydrophobicContact CE-CG2 3.97Å; M146-V316 HydrophobicContact SD-CG2 3.11Å; M146-V316 WeakPolarHBondContact SD-CG2 3.47Å
147T93.8Very high90.2Very high0 Ų036.1 Ų36.10%020%0.199CC..G310 helixtrans-69.1-4.7170.564.50000113.8T144 V145 K172 A173 H180 I181 E184T144-T147 PolarHBondContact O-N 3.29Å; T144-T147 PolarHBondContact O-OG1 2.89Å; T144-T147 VanDerWaalsContact O-OG1 3.09Å; V145-T147 PolarHBondContact O-N 2.81Å; T147-K172 CarbonylContact O-C 3.59Å; T147-K172 VanDerWaalsContact O-C 3.26Å; T147-A173 WeakPolarHBondContact O-CA 3.33Å; T147-A173 PolarHBondContact O-N 3.37Å; T147-A173 VanDerWaalsContact O-N 3.14Å; T147-H180 HydrophobicContact CG2-CB 3.8Å; T147-I181 HydrophobicContact CG2-CB 4.02Å; T147-E184 VanDerWaalsContact CG2-OE1 3.27Å; T147-E184 WeakPolarHBondContact CG2-OE1 3.32Å; T147-E184 PolarHBondContact OG1-OE1 3.34Å; T147-E184 PolarHBondContact OG1-OE2 3.03Å
148W93.7Very high89.6Confident3 Ų339.2 Ų39.21%0.01122%0.216CC..G310 helixtrans-114.6-9175.7-64.976.6000114.8V145 M146 N150 S151 F163 T164 I167 F168 R171 K172 Y265 L318 M320V145-W148 WeakPolarHBondContact O-CA 3.31Å; V145-W148 VanDerWaalsContact O-CB 3.31Å; V145-W148 WeakPolarHBondContact O-CB 3.49Å; V145-W148 PolarHBondContact O-N 3.27Å; M146-W148 PolarHBondContact O-N 3.43Å; W148-N150 PolarHBondContact O-N 3.11Å; W148-S151 WeakPolarHBondContact CA-OG 3.25Å; W148-S151 WeakPolarHBondContact O-CB 3.4Å; W148-S151 PolarHBondContact O-N 3.3Å; W148-S151 PolarHBondContact O-OG 2.92Å; W148-F163 HydrophobicContact CE3-CB 4.28Å; W148-F163 HydrophobicContact CE3-CD1 4.12Å; W148-F163 HydrophobicContact CE3-CG 4.26Å; W148-F163 HydrophobicContact CZ3-CB 4.1Å; W148-F163 AromaticContact CZ3-CD1 3.96Å; W148-F163 HydrophobicContact CZ3-CD1 3.96Å; W148-F163 HydrophobicContact CZ3-CG 4.29Å; W148-T164 WeakPolarHBondContact CH2-O 3.48Å; W148-I167 HydrophobicContact CH2-CG1 4.06Å; W148-I167 HydrophobicContact CZ3-CD1 4.2Å; W148-I167 HydrophobicContact CZ3-CG1 4.17Å; W148-F168 HydrophobicContact CH2-CB 3.97Å; W148-F168 VanDerWaalsContact CZ2-CA 3.45Å; W148-F168 HydrophobicContact CZ2-CB 3.6Å; W148-R171 HydrophobicContact CD2-CB 3.5Å; W148-R171 HydrophobicContact CD2-CG 4.27Å; W148-R171 HydrophobicContact CE3-CB 3.45Å; W148-R171 VanDerWaalsContact CE3-CB 3.45Å; W148-R171 HydrophobicContact CG-CB 4.07Å; W148-R171 HydrophobicContact CH2-CB 4.3Å; W148-R171 HydrophobicContact CZ2-CB 4.28Å; W148-R171 HydrophobicContact CZ3-CB 3.86Å; W148-K172 CarbonylContact C-O 3.57Å; W148-K172 WeakPolarHBondContact CA-O 3.12Å; W148-Y265 HydrophobicContact CZ2-CE1 4.12Å; W148-Y265 AromaticContact NE1-CZ 3.81Å; W148-Y265 PolarHBondContact NE1-OH 3.13Å; W148-L318 HydrophobicContact CB-CD1 3.8Å; W148-M320 HydrophobicContact CB-CE 3.48Å; W148-M320 VanDerWaalsContact CB-CE 3.48Å; W148-M320 HydrophobicContact CD2-CE 3.66Å; W148-M320 HydrophobicContact CE3-CE 4.16Å; W148-M320 HydrophobicContact CG-CE 3.37Å
149A90.6Very high88.7Confident22 Ų2242.8 Ų42.818%0.18224%0.24CC..THydrogen-bonded Turntrans-53.1-28.9-166.500000115.6M146 H174M146-A149 HydrophobicContact CE-CB 4.42Å; M146-A149 PolarHBondContact O-N 3.1Å; M146-A149 HydrophobicContact SD-CB 4.47Å; A149-H174 HydrophobicContact CB-CB 3.87Å
150N90.4Very high87.9Confident82 Ų8248.3 Ų48.344%0.43927%0.265SS..THydrogen-bonded Turntrans-106.617.1179.7-76.6-5.1000113.1W148 K172W148-N150 PolarHBondContact O-N 3.11Å; N150-K172 CarbonylContact C-O 3.35Å; N150-K172 HydrophobicContact CB-CB 4.26Å; N150-K172 PolarHBondContact N-O 3.16Å; N150-K172 WeakPolarHBondContact O-CB 3.41Å
151S87.8Confident87.3Confident18 Ų1851.7 Ų51.713%0.12628%0.283CS..PPolyproline II helixtrans-69.5140.7176.5-53.70000109.6W148 R171 K172W148-S151 WeakPolarHBondContact CA-OG 3.25Å; W148-S151 WeakPolarHBondContact O-CB 3.4Å; W148-S151 PolarHBondContact O-N 3.3Å; W148-S151 PolarHBondContact O-OG 2.92Å; S151-R171 WeakPolarHBondContact OG-CA 3.47Å; S151-K172 PolarHBondContact N-O 3.05Å; S151-K172 PolarHBondContact OG-N 3.02Å; S151-K172 PolarHBondContact OG-O 3.01Å
152I83.1Confident86.8Confident117 Ų11753.5 Ų53.560%0.630%0.295SS*.PPolyproline II helixtrans-82.6140.1178-57.1169.2000107F163I152-F163 WeakPolarHBondContact O-CE1 3.29Å; I152-F163 WeakPolarHBondContact O-CZ 3.36Å
153P81Confident86.5Confident57 Ų5754.2 Ų54.237%0.3730%0.298SS..PPolyproline II helixtrans-49.3146.4172.9-27.534.8000111.9D155P153-D155 VanDerWaalsContact C-N 3.31Å; P153-D155 PolarHBondContact O-N 3.09Å
154L77.9Confident86.2Confident83 Ų8355.5 Ų55.544%0.43531%0.306SS..SBendtrans-66.5-36.6-175.9-70.7161.1000112.1L161 F163 I167L154-L161 HydrophobicContact CB-CD2 4.09Å; L154-L161 HydrophobicContact CD1-CD2 3.44Å; L154-L161 VanDerWaalsContact CD1-CD2 3.44Å; L154-L161 HydrophobicContact CG-CD2 4.42Å; L154-F163 HydrophobicContact CD1-CD1 4.37Å; L154-F163 HydrophobicContact CG-CD1 4.29Å; L154-F163 HydrophobicContact CG-CE1 4.24Å; L154-I167 HydrophobicContact CD1-CD1 3.48Å; L154-I167 VanDerWaalsContact CD1-CD1 3.48Å; L154-I167 HydrophobicContact CD2-CD1 3.4Å; L154-I167 VanDerWaalsContact CD2-CD1 3.4Å; L154-I167 HydrophobicContact CG-CD1 3.83Å
155D79.4Confident85.8Confident67 Ų6755.3 Ų55.336%0.35831%0.305SS..  trans-121.4120.7173.8-163.3-22.2000109.6P153 E157 D158P153-D155 VanDerWaalsContact C-N 3.31Å; P153-D155 PolarHBondContact O-N 3.09Å; D155-E157 PolarHBondContact O-N 3.13Å; D155-E157 WeakPolarHBondContact OD1-CB 3.23Å; D155-E157 PolarHBondContact OD1-N 2.8Å; D155-D158 HydrophobicContact CB-CB 4.11Å; D155-D158 CarbonylContact O-C 3.23Å; D155-D158 VanDerWaalsContact O-C 3.23Å; D155-D158 PolarHBondContact O-N 3.36Å
156P77.8Confident85.4Confident113 Ų11361.3 Ų61.373%0.73433%0.333SS*.SBendtrans-62.3-25.5172.8-20.832.6000113.8
157E79.9Confident84.9Confident178 Ų17862.7 Ų62.783%0.83234%0.34SS*.SBendtrans-86.7-21.1179.6-57.4-68.4139.600111.9D155D155-E157 PolarHBondContact O-N 3.13Å; D155-E157 WeakPolarHBondContact OD1-CB 3.23Å; D155-E157 PolarHBondContact OD1-N 2.8Å
158D81.1Confident84.5Confident67 Ų6765.2 Ų65.236%0.35835%0.351SS..  trans-12980.1175.9-172.83.9000111.3D155 E160 L161D155-D158 HydrophobicContact CB-CB 4.11Å; D155-D158 CarbonylContact O-C 3.23Å; D155-D158 VanDerWaalsContact O-C 3.23Å; D155-D158 PolarHBondContact O-N 3.36Å; D158-E160 PolarHBondContact O-N 2.83Å; D158-E160 WeakPolarHBondContact OD1-CB 3.06Å; D158-E160 PolarHBondContact OD1-N 3.39Å; D158-E160 VanDerWaalsContact OD1-N 3.17Å; D158-L161 PolarHBondContact O-N 3.08Å
159P76.6Confident84.1Confident85 Ų8573 Ų7355%0.55238%0.382SS*.THydrogen-bonded Turntrans-70.5-5.2178.330.7-35.7000113.2
160E80Confident83.8Confident115 Ų11576.2 Ų76.254%0.53740%0.401SS..THydrogen-bonded Turntrans-85.6-12.8179.8-62.8-148.2129.600113D158 R319D158-E160 PolarHBondContact O-N 2.83Å; D158-E160 WeakPolarHBondContact OD1-CB 3.06Å; D158-E160 PolarHBondContact OD1-N 3.39Å; D158-E160 VanDerWaalsContact OD1-N 3.17Å; E160-R319 VanDerWaalsContact O-CD 3.31Å; E160-R319 WeakPolarHBondContact O-CD 3.49Å; E160-R319 IonicContact OE1-CZ 3Å; E160-R319 IonicContact OE1-NH1 3.56Å; E160-R319 PolarHBondContact OE1-NH1 3.34Å; E160-R319 VanDerWaalsContact OE1-NH1 3.1Å; E160-R319 IonicContact OE1-NH2 3.67Å; E160-R319 PolarHBondContact OE1-NH2 3.22Å; E160-R319 IonicContact OE2-NH1 2.86Å
161L85.4Confident83.7Confident71 Ų7173.4 Ų73.437%0.37239%0.385SS..PPolyproline II helixtrans-66.2122.1-177.6-162.1142.4000111.1L154 D158L154-L161 HydrophobicContact CB-CD2 4.09Å; L154-L161 HydrophobicContact CD1-CD2 3.44Å; L154-L161 VanDerWaalsContact CD1-CD2 3.44Å; L154-L161 HydrophobicContact CG-CD2 4.42Å; D158-L161 PolarHBondContact O-N 3.08Å
162P87.5Confident83.9Confident38 Ų3878 Ų7825%0.24740%0.402CS..PPolyproline II helixtrans-72.5148.7-172.828.4-34.8000112.7R319 E321P162-R319 WeakPolarHBondContact CA-O 3.05Å; P162-R319 HydrophobicContact CB-CB 4.24Å; P162-E321 HydrophobicContact CB-CB 4.26Å; P162-E321 HydrophobicContact CG-CB 4.39Å
163F89.5Confident84.4Confident17 Ų1773.3 Ų73.38%0.07538%0.381CS..EExtended strand (participates in β ladder)trans-75.4128.6169.4-66.4-77.8000110.4W148 I152 L154 I167 L318 R319 M320 E321W148-F163 HydrophobicContact CE3-CB 4.28Å; W148-F163 HydrophobicContact CE3-CD1 4.12Å; W148-F163 HydrophobicContact CE3-CG 4.26Å; W148-F163 HydrophobicContact CZ3-CB 4.1Å; W148-F163 AromaticContact CZ3-CD1 3.96Å; W148-F163 HydrophobicContact CZ3-CD1 3.96Å; W148-F163 HydrophobicContact CZ3-CG 4.29Å; I152-F163 WeakPolarHBondContact O-CE1 3.29Å; I152-F163 WeakPolarHBondContact O-CZ 3.36Å; L154-F163 HydrophobicContact CD1-CD1 4.37Å; L154-F163 HydrophobicContact CG-CD1 4.29Å; L154-F163 HydrophobicContact CG-CE1 4.24Å; F163-I167 HydrophobicContact CB-CD1 4.47Å; F163-I167 HydrophobicContact CD1-CD1 3.77Å; F163-L318 HydrophobicContact CD2-CD2 3.98Å; F163-L318 HydrophobicContact CE2-CD2 3.7Å; F163-R319 PolarHBondContact N-O 2.84Å; F163-M320 HydrophobicContact CB-CE 4.34Å; F163-M320 HydrophobicContact CB-CG 4.12Å; F163-M320 WeakPolarHBondContact O-CA 3.36Å; F163-E321 PolarHBondContact O-N 2.68Å
164T90.1Very high85Confident26 Ų2672.2 Ų72.216%0.1637%0.371CS..EExtended strand (participates in β ladder)trans-106.6161.3175.365.90000110.9W148 E166 I167 V323W148-T164 WeakPolarHBondContact CH2-O 3.48Å; T164-E166 PolarHBondContact O-N 2.77Å; T164-I167 WeakPolarHBondContact O-CG1 3.04Å; T164-I167 PolarHBondContact O-N 2.82Å; T164-V323 HydrophobicContact CG2-CG2 3.68Å
165D87.2Confident85.6Confident2 Ų271.9 Ų71.91%0.01137%0.373CS..G310 helixtrans-72-12.7178.252.3-2.8000114.5I167 F168 Y265 L267 N324D165-I167 VanDerWaalsContact C-N 3.29Å; D165-I167 PolarHBondContact O-N 3.08Å; D165-F168 VanDerWaalsContact O-CD1 3.29Å; D165-F168 WeakPolarHBondContact O-CD1 3.33Å; D165-F168 PolarHBondContact O-N 2.76Å; D165-Y265 HydrophobicContact CB-CD1 4.16Å; D165-Y265 HydrophobicContact CB-CE1 4.36Å; D165-L267 HydrophobicContact CB-CB 3.78Å; D165-L267 PolarHBondContact OD2-N 3.27Å; D165-N324 PolarHBondContact OD1-N 2.98Å; D165-N324 PolarHBondContact OD1-ND2 2.92Å; D165-N324 VanDerWaalsContact OD1-ND2 3.09Å; D165-N324 WeakPolarHBondContact OD2-CB 2.91Å; D165-N324 VanDerWaalsContact OD2-CG 3.25Å; D165-N324 PolarHBondContact OD2-ND2 3.42Å
166E85.4Confident86.1Confident125 Ų12571.1 Ų71.158%0.58437%0.374SS*.G310 helixtrans-62.8-36.5174.4-61-167.315400112.3T164 F168 Y169T164-E166 PolarHBondContact O-N 2.77Å; E166-F168 VanDerWaalsContact C-N 3.33Å; E166-F168 PolarHBondContact O-N 2.82Å; E166-Y169 WeakPolarHBondContact O-CE1 3.22Å
167I84.1Confident86.8Confident30 Ų3066.3 Ų66.315%0.15434%0.341CS..G310 helixtrans-9415.1-174.655.3162.5000113.4W148 L154 F163 T164 D165 Y169 C170W148-I167 HydrophobicContact CH2-CG1 4.06Å; W148-I167 HydrophobicContact CZ3-CD1 4.2Å; W148-I167 HydrophobicContact CZ3-CG1 4.17Å; L154-I167 HydrophobicContact CD1-CD1 3.48Å; L154-I167 VanDerWaalsContact CD1-CD1 3.48Å; L154-I167 HydrophobicContact CD2-CD1 3.4Å; L154-I167 VanDerWaalsContact CD2-CD1 3.4Å; L154-I167 HydrophobicContact CG-CD1 3.83Å; F163-I167 HydrophobicContact CB-CD1 4.47Å; F163-I167 HydrophobicContact CD1-CD1 3.77Å; T164-I167 WeakPolarHBondContact O-CG1 3.04Å; T164-I167 PolarHBondContact O-N 2.82Å; D165-I167 VanDerWaalsContact C-N 3.29Å; D165-I167 PolarHBondContact O-N 3.08Å; I167-Y169 PolarHBondContact O-N 3.43Å; I167-C170 PolarHBondContact O-N 2.93Å
168F85.6Confident87.4Confident53 Ų5363.8 Ų63.823%0.23233%0.328CS..G310 helixtrans-50.9-36-173.578.6-70.4000113.3W148 D165 E166 C170 R171 V188 Y265W148-F168 HydrophobicContact CH2-CB 3.97Å; W148-F168 VanDerWaalsContact CZ2-CA 3.45Å; W148-F168 HydrophobicContact CZ2-CB 3.6Å; D165-F168 VanDerWaalsContact O-CD1 3.29Å; D165-F168 WeakPolarHBondContact O-CD1 3.33Å; D165-F168 PolarHBondContact O-N 2.76Å; E166-F168 VanDerWaalsContact C-N 3.33Å; E166-F168 PolarHBondContact O-N 2.82Å; F168-C170 PolarHBondContact O-N 3.14Å; F168-C170 VanDerWaalsContact O-N 3.07Å; F168-R171 WeakPolarHBondContact O-CB 3.11Å; F168-R171 WeakPolarHBondContact O-CD 3.35Å; F168-R171 WeakPolarHBondContact O-CG 3.35Å; F168-R171 PolarHBondContact O-N 3.2Å; F168-R171 VanDerWaalsContact O-N 3.14Å; F168-R171 PolarHBondContact O-NH1 3.44Å; F168-V188 HydrophobicContact CE2-CG2 4.49Å; F168-Y265 HydrophobicContact CB-CD1 3.65Å; F168-Y265 HydrophobicContact CB-CD2 4.46Å; F168-Y265 HydrophobicContact CB-CE1 3.79Å; F168-Y265 HydrophobicContact CB-CG 4.03Å; F168-Y265 HydrophobicContact CD1-CG 4.47Å; F168-Y265 HydrophobicContact CD2-CD1 4.03Å; F168-Y265 AromaticContact CD2-CD2 3.61Å; F168-Y265 HydrophobicContact CD2-CD2 3.61Å; F168-Y265 HydrophobicContact CD2-CE2 4.25Å; F168-Y265 AromaticContact CD2-CG 3.47Å; F168-Y265 HydrophobicContact CD2-CG 3.47Å; F168-Y265 VanDerWaalsContact CD2-CG 3.47Å; F168-Y265 HydrophobicContact CE2-CD2 4.22Å; F168-Y265 HydrophobicContact CE2-CG 4.08Å; F168-Y265 AromaticContact CG-CD1 3.82Å; F168-Y265 HydrophobicContact CG-CD1 3.82Å; F168-Y265 HydrophobicContact CG-CD2 4.26Å; F168-Y265 HydrophobicContact CG-CE1 4.42Å; F168-Y265 AromaticContact CG-CG 3.75Å; F168-Y265 HydrophobicContact CG-CG 3.75Å
169Y85.4Confident88Confident168 Ų16866.2 Ų66.266%0.65934%0.335SS*.G310 helixtrans-59.9-19.1179.655.5-92000115.7E166 I167E166-Y169 WeakPolarHBondContact O-CE1 3.22Å; I167-Y169 PolarHBondContact O-N 3.43Å
170C83.4Confident88.9Confident88 Ų8862.4 Ų62.460%0.59531%0.31SS*.G310 helixtrans-92.4-3.3179.2-74.40000114.4I167 F168I167-C170 PolarHBondContact O-N 2.93Å; F168-C170 PolarHBondContact O-N 3.14Å; F168-C170 VanDerWaalsContact O-N 3.07Å
171R90Very high89.6Confident24 Ų2457.5 Ų57.59%0.09129%0.287CS..  trans-67.1153.5-172.776.9-171.7172.2-74.66.3114.2W148 S151 F168 I181 E184W148-R171 HydrophobicContact CD2-CB 3.5Å; W148-R171 HydrophobicContact CD2-CG 4.27Å; W148-R171 HydrophobicContact CE3-CB 3.45Å; W148-R171 VanDerWaalsContact CE3-CB 3.45Å; W148-R171 HydrophobicContact CG-CB 4.07Å; W148-R171 HydrophobicContact CH2-CB 4.3Å; W148-R171 HydrophobicContact CZ2-CB 4.28Å; W148-R171 HydrophobicContact CZ3-CB 3.86Å; S151-R171 WeakPolarHBondContact OG-CA 3.47Å; F168-R171 WeakPolarHBondContact O-CB 3.11Å; F168-R171 WeakPolarHBondContact O-CD 3.35Å; F168-R171 WeakPolarHBondContact O-CG 3.35Å; F168-R171 PolarHBondContact O-N 3.2Å; F168-R171 VanDerWaalsContact O-N 3.14Å; F168-R171 PolarHBondContact O-NH1 3.44Å; R171-I181 HydrophobicContact CG-CD1 3.77Å; R171-E184 IonicContact CZ-OE2 2.82Å; R171-E184 VanDerWaalsContact CZ-OE2 3.28Å; R171-E184 IonicContact NE-OE2 3.62Å; R171-E184 PolarHBondContact NE-OE2 3.09Å; R171-E184 VanDerWaalsContact NE-OE2 3.16Å; R171-E184 IonicContact NH2-OE2 3.1Å; R171-E184 PolarHBondContact NH2-OE2 3.38Å
172K91.2Very high90.1Very high114 Ų11458.3 Ų58.350%0.49629%0.292SS..  trans-124.7122.7171.3-68.9-179.7-177.6172.50110.5T147 W148 N150 S151T147-K172 CarbonylContact O-C 3.59Å; T147-K172 VanDerWaalsContact O-C 3.26Å; W148-K172 CarbonylContact C-O 3.57Å; W148-K172 WeakPolarHBondContact CA-O 3.12Å; N150-K172 CarbonylContact C-O 3.35Å; N150-K172 HydrophobicContact CB-CB 4.26Å; N150-K172 PolarHBondContact N-O 3.16Å; N150-K172 WeakPolarHBondContact O-CB 3.41Å; S151-K172 PolarHBondContact N-O 3.05Å; S151-K172 PolarHBondContact OG-N 3.02Å; S151-K172 PolarHBondContact OG-O 3.01Å
173A93.3Very high90.5Very high18 Ų1856.7 Ų56.715%0.14928%0.281CS..  trans-76.5154.417900000112.7T147 I181T147-A173 WeakPolarHBondContact O-CA 3.33Å; T147-A173 PolarHBondContact O-N 3.37Å; T147-A173 VanDerWaalsContact O-N 3.14Å; A173-I181 HydrophobicContact CB-CB 4.01Å; A173-I181 HydrophobicContact CB-CD1 4.15Å; A173-I181 HydrophobicContact CB-CG2 3.69Å
174H93.3Very high90.8Very high35 Ų3555.9 Ų55.916%0.16228%0.278CS..  trans-57.9148.3163.7-166.7-101.6000110.7M146 A149 S176 F177 K178 E312M146-H174 HydrophobicContact CE-CB 4.16Å; M146-H174 PolarHBondContact O-N 3.23Å; M146-H174 VanDerWaalsContact O-N 3.08Å; A149-H174 HydrophobicContact CB-CB 3.87Å; H174-S176 VanDerWaalsContact C-N 3.27Å; H174-S176 PolarHBondContact ND1-N 3.23Å; H174-S176 PolarHBondContact ND1-OG 3.49Å; H174-S176 PolarHBondContact O-N 2.88Å; H174-F177 HydrophobicContact CB-CD2 3.95Å; H174-F177 PolarHBondContact O-N 3.42Å; H174-K178 PolarHBondContact O-N 3.14Å; H174-E312 IonicContact CE1-OE1 2.64Å; H174-E312 IonicContact CE1-OE2 3.16Å; H174-E312 PolarHBondContact CE1-OE2 3.3Å; H174-E312 IonicContact ND1-OE2 3.37Å; H174-E312 PolarHBondContact ND1-OE2 3.35Å
175P90.8Very high91Very high75 Ų7560 Ų6049%0.48729%0.293SS..G310 helixtrans-56.3-34.6-178.1-29.238.1000115.1F177 K178P175-F177 VanDerWaalsContact C-N 3.33Å; P175-K178 WeakPolarHBondContact O-CG 3.48Å
176S89.9Confident91.4Very high52 Ų5261.8 Ų61.836%0.36430%0.304SS..G310 helixtrans-72.7-23.6176.755.50000113.2H174 E312H174-S176 VanDerWaalsContact C-N 3.27Å; H174-S176 PolarHBondContact ND1-N 3.23Å; H174-S176 PolarHBondContact ND1-OG 3.49Å; H174-S176 PolarHBondContact O-N 2.88Å; S176-E312 VanDerWaalsContact CB-OE2 3.24Å; S176-E312 WeakPolarHBondContact CB-OE2 3.4Å; S176-E312 PolarHBondContact OG-OE2 3.19Å
177F92.9Very high91.9Very high11 Ų1155.8 Ų55.85%0.04828%0.276CS..G310 helixtrans-102.120.1-177.1-66.2-94.1000113.5T144 M146 H174 P175 K179 H180 I181T144-F177 HydrophobicContact CG2-CD1 3.66Å; T144-F177 HydrophobicContact CG2-CE1 3.83Å; M146-F177 HydrophobicContact CB-CB 4.09Å; M146-F177 HydrophobicContact CB-CD1 3.63Å; M146-F177 HydrophobicContact CB-CD2 3.52Å; M146-F177 HydrophobicContact CB-CE1 3.86Å; M146-F177 HydrophobicContact CB-CE2 3.75Å; M146-F177 HydrophobicContact CB-CG 3.45Å; M146-F177 VanDerWaalsContact CB-CG 3.45Å; M146-F177 HydrophobicContact CB-CZ 3.91Å; M146-F177 HydrophobicContact CE-CD2 3.95Å; M146-F177 HydrophobicContact CE-CE2 3.54Å; M146-F177 HydrophobicContact CE-CZ 4.31Å; M146-F177 HydrophobicContact CG-CD1 4.25Å; M146-F177 HydrophobicContact CG-CD2 4.03Å; M146-F177 HydrophobicContact CG-CE1 3.94Å; M146-F177 HydrophobicContact CG-CE2 3.7Å; M146-F177 HydrophobicContact CG-CG 4.29Å; M146-F177 HydrophobicContact CG-CZ 3.65Å; M146-F177 HydrophobicContact SD-CE2 4.44Å; H174-F177 HydrophobicContact CB-CD2 3.95Å; H174-F177 PolarHBondContact O-N 3.42Å; P175-F177 VanDerWaalsContact C-N 3.33Å; F177-K179 VanDerWaalsContact C-N 3.29Å; F177-K179 PolarHBondContact O-N 2.81Å; F177-H180 HydrophobicContact CB-CB 4.43Å; F177-H180 AromaticContact CD1-CD2 3.98Å; F177-H180 AromaticContact CD1-CE1 3.62Å; F177-H180 AromaticContact CD1-CG 3.85Å; F177-H180 AromaticContact CD1-ND1 3.63Å; F177-H180 AromaticContact CD1-NE2 3.86Å; F177-H180 WeakPolarHBondContact O-CB 3.5Å; F177-H180 PolarHBondContact O-N 3.28Å; F177-I181 PolarHBondContact O-N 3.39Å
178K92.8Very high92.4Very high126 Ų12654.9 Ų54.955%0.54827%0.272SS..Hα-helixtrans-59.8-38.2175.4-77.4178.3179.9171.90112.7H174 P175 H180 I181 D182H174-K178 PolarHBondContact O-N 3.14Å; P175-K178 WeakPolarHBondContact O-CG 3.48Å; K178-H180 VanDerWaalsContact C-N 3.33Å; K178-H180 PolarHBondContact O-N 3.1Å; K178-I181 WeakPolarHBondContact O-CG2 3.29Å; K178-D182 PolarHBondContact O-N 3.5Å
179K94.5Very high92.8Very high118 Ų11859.9 Ų59.951%0.51329%0.293SS..Hα-helixtrans-64.9-39.4177.9-63.2-171.8174.9-162.60111.7V116 E117 F177 D182 L183V116-K179 HydrophobicContact CG1-CB 3.87Å; E117-K179 IonicContact OE1-NZ 3.28Å; E117-K179 PolarHBondContact OE1-NZ 3.35Å; F177-K179 VanDerWaalsContact C-N 3.29Å; F177-K179 PolarHBondContact O-N 2.81Å; K179-D182 PolarHBondContact O-N 2.95Å; K179-L183 PolarHBondContact O-N 3.05Å
180H95.3Very high93.1Very high4 Ų452.6 Ų52.62%0.01927%0.266CS..Hα-helixtrans-60.9-52.2178.1-60.867.9000111.4I109 T147 F177 K178 D182 L183 E184I109-H180 HydrophobicContact CD1-CB 4.29Å; I109-H180 PolarHBondContact O-CD2 3.13Å; I109-H180 PolarHBondContact O-NE2 3.15Å; T147-H180 HydrophobicContact CG2-CB 3.8Å; F177-H180 HydrophobicContact CB-CB 4.43Å; F177-H180 AromaticContact CD1-CD2 3.98Å; F177-H180 AromaticContact CD1-CE1 3.62Å; F177-H180 AromaticContact CD1-CG 3.85Å; F177-H180 AromaticContact CD1-ND1 3.63Å; F177-H180 AromaticContact CD1-NE2 3.86Å; F177-H180 WeakPolarHBondContact O-CB 3.5Å; F177-H180 PolarHBondContact O-N 3.28Å; K178-H180 VanDerWaalsContact C-N 3.33Å; K178-H180 PolarHBondContact O-N 3.1Å; H180-D182 VanDerWaalsContact C-N 3.27Å; H180-D182 PolarHBondContact O-N 3.48Å; H180-L183 WeakPolarHBondContact O-CB 3.49Å; H180-L183 PolarHBondContact O-N 2.77Å; H180-L183 VanDerWaalsContact O-N 3.16Å; H180-E184 WeakPolarHBondContact O-CG 3.35Å; H180-E184 PolarHBondContact O-N 3.26Å
181I94.8Very high93.4Very high13 Ų1348.4 Ų48.47%0.06724%0.238CC..Hα-helixtrans-63.2-33.6179.5-171.6171.6000112.6T147 R171 A173 F177 K178 E184 K185T147-I181 HydrophobicContact CG2-CB 4.02Å; R171-I181 HydrophobicContact CG-CD1 3.77Å; A173-I181 HydrophobicContact CB-CB 4.01Å; A173-I181 HydrophobicContact CB-CD1 4.15Å; A173-I181 HydrophobicContact CB-CG2 3.69Å; F177-I181 PolarHBondContact O-N 3.39Å; K178-I181 WeakPolarHBondContact O-CG2 3.29Å; I181-E184 PolarHBondContact O-N 3.5Å; I181-K185 WeakPolarHBondContact O-CG 3.25Å; I181-K185 PolarHBondContact O-N 3.16Å; I181-K185 VanDerWaalsContact O-N 3.12Å
182D95.3Very high93.3Very high88 Ų8854 Ų5447%0.47126%0.263SS..Hα-helixtrans-69.5-38.7176.4-72.8-19.5000111.7K178 K179 H180 K185 V186K178-D182 PolarHBondContact O-N 3.5Å; K179-D182 PolarHBondContact O-N 2.95Å; H180-D182 VanDerWaalsContact C-N 3.27Å; H180-D182 PolarHBondContact O-N 3.48Å; D182-K185 PolarHBondContact O-N 3.31Å; D182-K185 IonicContact OD1-NZ 3.33Å; D182-K185 PolarHBondContact OD1-NZ 3.4Å; D182-V186 WeakPolarHBondContact O-CG2 3.41Å; D182-V186 PolarHBondContact O-N 3.12Å; D182-V186 VanDerWaalsContact O-N 3.1Å
183L96.4Very high93.1Very high4 Ų451.6 Ų51.62%0.02126%0.261CS..Hα-helixtrans-63.1-45.4170.917556000111.8I109 V116 A119 S120 V123 L141 K179 H180 K185 V186 V187I109-L183 HydrophobicContact CD1-CD2 3.94Å; I109-L183 HydrophobicContact CG2-CD2 4.41Å; V116-L183 HydrophobicContact CB-CD2 4.49Å; V116-L183 HydrophobicContact CG1-CB 4.11Å; V116-L183 HydrophobicContact CG1-CD2 3.86Å; A119-L183 HydrophobicContact CB-CD2 3.72Å; S120-L183 VanDerWaalsContact CA-CD1 3.46Å; V123-L183 HydrophobicContact CG1-CD1 4.36Å; L141-L183 HydrophobicContact CD1-CD2 3.93Å; L141-L183 HydrophobicContact CD1-CG 4.45Å; L141-L183 HydrophobicContact CD2-CD2 4.18Å; L141-L183 HydrophobicContact CD2-CG 3.92Å; K179-L183 PolarHBondContact O-N 3.05Å; H180-L183 WeakPolarHBondContact O-CB 3.49Å; H180-L183 PolarHBondContact O-N 2.77Å; H180-L183 VanDerWaalsContact O-N 3.16Å; L183-K185 VanDerWaalsContact C-N 3.26Å; L183-K185 PolarHBondContact O-N 2.91Å; L183-V186 WeakPolarHBondContact O-CA 3.37Å; L183-V186 WeakPolarHBondContact O-CB 3.43Å; L183-V186 PolarHBondContact O-N 2.81Å; L183-V187 HydrophobicContact CD1-CG2 4.01Å; L183-V187 HydrophobicContact CG-CG2 4.4Å; L183-V187 WeakPolarHBondContact O-CG2 3.08Å; L183-V187 PolarHBondContact O-N 3.22Å
184E95.8Very high92.4Very high0 Ų054.4 Ų54.40%027%0.273CS..Hα-helixtrans-54.5-44176.3-68.7176.4172.900111.6L141 S143 T147 R171 H180 I181 V186 V187 V188 V202L141-E184 HydrophobicContact CD2-CG 4.15Å; S143-E184 WeakPolarHBondContact CB-OE1 3.34Å; S143-E184 PolarHBondContact OG-OE1 2.86Å; T147-E184 VanDerWaalsContact CG2-OE1 3.27Å; T147-E184 WeakPolarHBondContact CG2-OE1 3.32Å; T147-E184 PolarHBondContact OG1-OE1 3.34Å; T147-E184 PolarHBondContact OG1-OE2 3.03Å; R171-E184 IonicContact CZ-OE2 2.82Å; R171-E184 VanDerWaalsContact CZ-OE2 3.28Å; R171-E184 IonicContact NE-OE2 3.62Å; R171-E184 PolarHBondContact NE-OE2 3.09Å; R171-E184 VanDerWaalsContact NE-OE2 3.16Å; R171-E184 IonicContact NH2-OE2 3.1Å; R171-E184 PolarHBondContact NH2-OE2 3.38Å; H180-E184 WeakPolarHBondContact O-CG 3.35Å; H180-E184 PolarHBondContact O-N 3.26Å; I181-E184 PolarHBondContact O-N 3.5Å; E184-V186 VanDerWaalsContact C-N 3.34Å; E184-V186 PolarHBondContact O-N 2.83Å; E184-V187 PolarHBondContact O-N 2.91Å; E184-V188 WeakPolarHBondContact O-CG2 3.27Å; E184-V188 PolarHBondContact O-N 3.15Å; E184-V202 HydrophobicContact CB-CG1 4.24Å; E184-V202 HydrophobicContact CB-CG2 4.39Å; E184-V202 HydrophobicContact CG-CG1 3.74Å
185K94.8Very high92.1Very high113 Ų11356 Ų5649%0.49128%0.278SS..Hα-helixtrans-62.4-40.2175.7-70.2168.1-170.9158.50112.1I181 D182 L183 K189I181-K185 WeakPolarHBondContact O-CG 3.25Å; I181-K185 PolarHBondContact O-N 3.16Å; I181-K185 VanDerWaalsContact O-N 3.12Å; D182-K185 PolarHBondContact O-N 3.31Å; D182-K185 IonicContact OD1-NZ 3.33Å; D182-K185 PolarHBondContact OD1-NZ 3.4Å; L183-K185 VanDerWaalsContact C-N 3.26Å; L183-K185 PolarHBondContact O-N 2.91Å; K185-K189 VanDerWaalsContact O-CB 3.26Å; K185-K189 WeakPolarHBondContact O-CB 3.34Å; K185-K189 PolarHBondContact O-N 2.9Å
186V95.6Very high91.9Very high38 Ų3861.1 Ų61.123%0.2330%0.295CS..Hα-helixtrans-62-48.5175.9169.70000110.4V123 K124 D182 L183 E184 V188 K189 V190V123-V186 HydrophobicContact CG1-CG1 4.04Å; K124-V186 HydrophobicContact CG-CG1 4.37Å; D182-V186 WeakPolarHBondContact O-CG2 3.41Å; D182-V186 PolarHBondContact O-N 3.12Å; D182-V186 VanDerWaalsContact O-N 3.1Å; L183-V186 WeakPolarHBondContact O-CA 3.37Å; L183-V186 WeakPolarHBondContact O-CB 3.43Å; L183-V186 PolarHBondContact O-N 2.81Å; E184-V186 VanDerWaalsContact C-N 3.34Å; E184-V186 PolarHBondContact O-N 2.83Å; V186-V188 PolarHBondContact O-N 3.18Å; V186-K189 WeakPolarHBondContact O-CB 3.28Å; V186-K189 PolarHBondContact O-N 2.83Å; V186-V190 HydrophobicContact CG1-CG2 4.37Å; V186-V190 WeakPolarHBondContact O-CB 3.46Å; V186-V190 VanDerWaalsContact O-CG2 3.32Å; V186-V190 WeakPolarHBondContact O-CG2 3.35Å; V186-V190 PolarHBondContact O-N 3.46Å
187V95.6Very high91.9Very high0 Ų062.2 Ų62.20%030%0.296CS..Hα-helixtrans-58.9-50.2179.1176.40000110.6V123 F139 L141 L183 E184 K189 V190 G191 T200 V202V123-V187 HydrophobicContact CG1-CG2 4.35Å; V123-V187 HydrophobicContact CG2-CG2 4.28Å; F139-V187 HydrophobicContact CD1-CG1 4.17Å; F139-V187 HydrophobicContact CE1-CG1 4.42Å; F139-V187 HydrophobicContact CE1-CG2 4.01Å; L141-V187 HydrophobicContact CB-CG2 4.38Å; L141-V187 HydrophobicContact CD2-CG2 3.97Å; L183-V187 HydrophobicContact CD1-CG2 4.01Å; L183-V187 HydrophobicContact CG-CG2 4.4Å; L183-V187 WeakPolarHBondContact O-CG2 3.08Å; L183-V187 PolarHBondContact O-N 3.22Å; E184-V187 PolarHBondContact O-N 2.91Å; V187-K189 VanDerWaalsContact C-N 3.3Å; V187-K189 PolarHBondContact O-N 3.09Å; V187-V190 PolarHBondContact O-N 3.16Å; V187-G191 PolarHBondContact O-N 3.17Å; V187-T200 PolarHBondContact O-OG1 3.01Å; V187-V202 HydrophobicContact CB-CG2 3.91Å; V187-V202 HydrophobicContact CG1-CG2 3.75Å
188V94.1Very high91.9Very high11 Ų1161.8 Ų61.87%0.06729%0.294CS..Hα-helixtrans-61.1-38.5177.81730000111.9F168 E184 V186 K192 V202F168-V188 HydrophobicContact CE2-CG2 4.49Å; E184-V188 WeakPolarHBondContact O-CG2 3.27Å; E184-V188 PolarHBondContact O-N 3.15Å; V186-V188 PolarHBondContact O-N 3.18Å; V188-K192 WeakPolarHBondContact O-CG 3.39Å; V188-K192 PolarHBondContact O-N 3.29Å; V188-V202 HydrophobicContact CG2-CG2 4Å
189K93.7Very high91.9Very high158 Ų15856.1 Ų56.169%0.68727%0.271SS*.Hα-helixtrans-64.8-42.8177.1-177.1-178.5177.8-176.10111.4K185 V186 V187 K192K185-K189 VanDerWaalsContact O-CB 3.26Å; K185-K189 WeakPolarHBondContact O-CB 3.34Å; K185-K189 PolarHBondContact O-N 2.9Å; V186-K189 WeakPolarHBondContact O-CB 3.28Å; V186-K189 PolarHBondContact O-N 2.83Å; V187-K189 VanDerWaalsContact C-N 3.3Å; V187-K189 PolarHBondContact O-N 3.09Å; K189-K192 PolarHBondContact O-N 3.23Å
190V92.5Very high92Very high15 Ų1550.6 Ų50.69%0.09125%0.246CC..Hα-helixtrans-63.9-42.9178.7166.30000111.3V123 H127 V186 V187 K192 S193 F198 T200V123-V190 HydrophobicContact CG2-CB 4.38Å; V123-V190 HydrophobicContact CG2-CG1 4.08Å; V123-V190 HydrophobicContact CG2-CG2 4.48Å; H127-V190 HydrophobicContact CB-CG1 3.75Å; H127-V190 HydrophobicContact CB-CG2 4.42Å; V186-V190 HydrophobicContact CG1-CG2 4.37Å; V186-V190 WeakPolarHBondContact O-CB 3.46Å; V186-V190 VanDerWaalsContact O-CG2 3.32Å; V186-V190 WeakPolarHBondContact O-CG2 3.35Å; V186-V190 PolarHBondContact O-N 3.46Å; V187-V190 PolarHBondContact O-N 3.16Å; V190-K192 PolarHBondContact O-N 3.04Å; V190-S193 WeakPolarHBondContact O-CB 3.02Å; V190-S193 PolarHBondContact O-N 3.49Å; V190-S193 VanDerWaalsContact O-N 3.16Å; V190-S193 PolarHBondContact O-OG 3.07Å; V190-F198 HydrophobicContact CG1-CD1 3.76Å; V190-F198 HydrophobicContact CG1-CE1 3.51Å; V190-T200 HydrophobicContact CG1-CG2 3.98Å
191G88.8Confident92.1Very high0 Ų050.4 Ų50.40%025%0.246CC..Hα-helixtrans-63.6-24.6177.700000115.2V187 S193 T200 Y264V187-G191 PolarHBondContact O-N 3.17Å; G191-S193 VanDerWaalsContact C-N 3.29Å; G191-S193 PolarHBondContact O-N 2.84Å; G191-T200 WeakPolarHBondContact CA-OG1 3.48Å; G191-T200 PolarHBondContact N-OG1 3.4Å; G191-Y264 PolarHBondContact O-OH 2.92Å
192K89.1Confident92.2Very high141 Ų14149.8 Ų49.861%0.61324%0.243SC*.THydrogen-bonded Turntrans-73.2-19.3177-73.5175.1-179-177.80113.3V188 K189 V190 Y264V188-K192 WeakPolarHBondContact O-CG 3.39Å; V188-K192 PolarHBondContact O-N 3.29Å; K189-K192 PolarHBondContact O-N 3.23Å; V190-K192 PolarHBondContact O-N 3.04Å; K192-Y264 HydrophobicContact CG-CE2 4.14Å
193S85.2Confident92.3Very high64 Ų6445.6 Ų45.645%0.44822%0.22SC..THydrogen-bonded Turntrans-69.9-60.5-176.5-56.20000111.9H127 V190 G191H127-S193 PolarHBondContact NE2-OG 2.94Å; V190-S193 WeakPolarHBondContact O-CB 3.02Å; V190-S193 PolarHBondContact O-N 3.49Å; V190-S193 VanDerWaalsContact O-N 3.16Å; V190-S193 PolarHBondContact O-OG 3.07Å; G191-S193 VanDerWaalsContact C-N 3.29Å; G191-S193 PolarHBondContact O-N 2.84Å
194N80.6Confident92.3Very high77 Ų7745.4 Ų45.441%0.41222%0.219SC..  trans-147.779.7-175-81.5-22.7000112.2E196 I197 F198N194-E196 PolarHBondContact O-N 3.41Å; N194-I197 PolarHBondContact O-N 2.89Å; N194-F198 PolarHBondContact O-N 3.5Å
195R86.4Confident92.3Very high67 Ų6745.5 Ų45.525%0.25322%0.22SC..THydrogen-bonded Turntrans-61.4-36.4-174.2-177.7178.3173136.53.2115I197 F198 S199 Y201 Q260 P261 R262R195-I197 VanDerWaalsContact C-N 3.27Å; R195-I197 PolarHBondContact O-N 3.34Å; R195-F198 CarbonylContact O-C 3.57Å; R195-S199 PolarHBondContact O-N 3.09Å; R195-S199 PolarHBondContact O-OG 3.41Å; R195-Y201 PolarHBondContact NH2-OH 2.93Å; R195-Q260 PolarHBondContact NH2-O 2.83Å; R195-Q260 VanDerWaalsContact NH2-O 3.13Å; R195-P261 VanDerWaalsContact NH2-C 3.27Å; R195-P261 PolarHBondContact NH2-O 2.88Å; R195-R262 PolarHBondContact NH1-O 3.45Å
196E86.2Confident92.3Very high183 Ų18340.2 Ų40.286%0.85520%0.197SC*.THydrogen-bonded Turntrans-66.8-29.6-176.4-63.2-176.3172.100112.8N194N194-E196 PolarHBondContact O-N 3.41Å
197I89.6Confident92.2Very high75 Ų7538.8 Ų38.839%0.38519%0.188SC..THydrogen-bonded Turntrans-96.6-41.6-179.5-60.1170.4000110.2F133 P136 K137 N194 R195F133-I197 HydrophobicContact CB-CG2 4.48Å; F133-I197 HydrophobicContact CD2-CG2 3.74Å; F133-I197 HydrophobicContact CE2-CG2 4.46Å; P136-I197 WeakPolarHBondContact CA-O 3.19Å; K137-I197 PolarHBondContact N-O 2.9Å; N194-I197 PolarHBondContact O-N 2.89Å; R195-I197 VanDerWaalsContact C-N 3.27Å; R195-I197 PolarHBondContact O-N 3.34Å
198F92.7Very high92.2Very high3 Ų339.3 Ų39.31%0.01319%0.191CC..EExtended strand (participates in β ladder)trans-135.499.3-178.2-168.1-140.9000111V123 L126 H127 F133 K137 F139 V190 N194 R195 T200V123-F198 HydrophobicContact CG2-CE1 4.3Å; V123-F198 HydrophobicContact CG2-CZ 4.36Å; L126-F198 HydrophobicContact CB-CE1 4.25Å; L126-F198 HydrophobicContact CB-CE2 4.33Å; L126-F198 HydrophobicContact CB-CZ 3.79Å; L126-F198 HydrophobicContact CD1-CZ 4.23Å; H127-F198 HydrophobicContact CB-CD1 4.48Å; H127-F198 HydrophobicContact CB-CE1 4.27Å; F133-F198 HydrophobicContact CE2-CB 3.97Å; F133-F198 AromaticContact CE2-CD2 3.86Å; F133-F198 HydrophobicContact CE2-CD2 3.86Å; F133-F198 AromaticContact CE2-CG 4Å; F133-F198 HydrophobicContact CE2-CG 4Å; F133-F198 HydrophobicContact CZ-CD2 4.34Å; K137-F198 HydrophobicContact CB-CD2 3.93Å; K137-F198 HydrophobicContact CB-CE2 4.27Å; F139-F198 HydrophobicContact CB-CE2 3.7Å; F139-F198 HydrophobicContact CB-CZ 3.74Å; F139-F198 HydrophobicContact CD2-CZ 4.41Å; F139-F198 HydrophobicContact CG-CZ 4.27Å; V190-F198 HydrophobicContact CG1-CD1 3.76Å; V190-F198 HydrophobicContact CG1-CE1 3.51Å; N194-F198 PolarHBondContact O-N 3.5Å; R195-F198 CarbonylContact O-C 3.57Å; F198-T200 HydrophobicContact CD1-CG2 4.05Å; F198-T200 HydrophobicContact CE1-CG2 3.82Å; F198-T200 HydrophobicContact CZ-CG2 4.08Å
199S94.4Very high92.2Very high7 Ų738.8 Ų38.85%0.04919%0.188CC..EExtended strand (participates in β ladder)trans-91129.3175.9-76.20000110K137 I138 F139 R195K137-S199 PolarHBondContact O-N 3.38Å; I138-S199 CarbonylContact C-O 3.6Å; I138-S199 WeakPolarHBondContact CA-O 3.49Å; F139-S199 PolarHBondContact N-O 2.71Å; R195-S199 PolarHBondContact O-N 3.09Å; R195-S199 PolarHBondContact O-OG 3.41Å
200T96.1Very high92Very high1 Ų131.3 Ų31.31%0.00616%0.155CC..EExtended strand (participates in β ladder)trans-120.9140.3178.868.70000111.2F139 V187 V190 G191 F198 Y264F139-T200 HydrophobicContact CB-CG2 4.16Å; F139-T200 CarbonylContact O-C 3.56Å; F139-T200 VanDerWaalsContact O-CA 3.24Å; F139-T200 WeakPolarHBondContact O-CA 3.44Å; V187-T200 PolarHBondContact O-OG1 3.01Å; V190-T200 HydrophobicContact CG1-CG2 3.98Å; G191-T200 WeakPolarHBondContact CA-OG1 3.48Å; G191-T200 PolarHBondContact N-OG1 3.4Å; F198-T200 HydrophobicContact CD1-CG2 4.05Å; F198-T200 HydrophobicContact CE1-CG2 3.82Å; F198-T200 HydrophobicContact CZ-CG2 4.08Å; T200-Y264 WeakPolarHBondContact O-CD1 3.3Å
201Y96.7Very high91.5Very high1 Ų133.4 Ų33.40%0.00416%0.164CC..EExtended strand (participates in β ladder)trans-133143.6179.4-63.4-76.8000110.6I138 F139 I140 L141 R195 V256 Q260 P261 P263 Y264I138-Y201 HydrophobicContact CG2-CD2 3.89Å; I138-Y201 HydrophobicContact CG2-CE2 3.99Å; F139-Y201 PolarHBondContact O-N 2.81Å; I140-Y201 HydrophobicContact CG1-CD2 4.43Å; L141-Y201 PolarHBondContact N-O 2.69Å; R195-Y201 PolarHBondContact NH2-OH 2.93Å; Y201-V256 HydrophobicContact CD1-CG1 4.09Å; Y201-V256 HydrophobicContact CD2-CG1 3.57Å; Y201-V256 HydrophobicContact CE2-CG1 4.06Å; Y201-V256 HydrophobicContact CG-CG1 3.58Å; Y201-Q260 VanDerWaalsContact OH-CA 3.25Å; Y201-Q260 WeakPolarHBondContact OH-CA 3.37Å; Y201-Q260 WeakPolarHBondContact OH-CB 3.24Å; Y201-Q260 PolarHBondContact OH-O 3.15Å; Y201-P261 HydrophobicContact CD1-CG 4.31Å; Y201-P261 HydrophobicContact CE1-CG 3.84Å; Y201-P261 VanDerWaalsContact CE1-O 3.22Å; Y201-P261 WeakPolarHBondContact CE1-O 3.31Å; Y201-P261 PolarHBondContact OH-O 3.3Å; Y201-P261 VanDerWaalsContact OH-O 3.14Å; Y201-P263 WeakPolarHBondContact CE1-O 3.26Å; Y201-Y264 CarbonylContact C-O 3.55Å; Y201-Y264 WeakPolarHBondContact CA-O 3.47Å
202V97Very high90.5Very high0 Ų033.6 Ų33.60%017%0.167CC..EExtended strand (participates in β ladder)trans-112.8120.2167.8178.50000106.9L141 E184 V187 V188 Y264 Y265 L266L141-V202 HydrophobicContact CB-CG2 4.45Å; L141-V202 HydrophobicContact CD2-CG2 4.34Å; L141-V202 WeakPolarHBondContact O-CA 3.24Å; E184-V202 HydrophobicContact CB-CG1 4.24Å; E184-V202 HydrophobicContact CB-CG2 4.39Å; E184-V202 HydrophobicContact CG-CG1 3.74Å; V187-V202 HydrophobicContact CB-CG2 3.91Å; V187-V202 HydrophobicContact CG1-CG2 3.75Å; V188-V202 HydrophobicContact CG2-CG2 4Å; V202-Y264 PolarHBondContact N-O 3.01Å; V202-Y265 HydrophobicContact CB-CD2 3.86Å; V202-Y265 HydrophobicContact CB-CE2 4.42Å; V202-Y265 HydrophobicContact CG1-CD2 3.64Å; V202-Y265 HydrophobicContact CG1-CE2 3.69Å; V202-Y265 CarbonylContact O-C 3.55Å; V202-Y265 WeakPolarHBondContact O-CA 3.42Å; V202-L266 PolarHBondContact O-N 3.23Å
203V96.9Very high89.7Confident0 Ų027 Ų270%014%0.138CC..EExtended strand (participates in β ladder)trans-110.7105.1173.8-178.70000106.6I140 L141 I142 S143 S205 L249 V252 V256 L266 A268I140-V203 HydrophobicContact CG2-CG2 3.97Å; L141-V203 PolarHBondContact O-N 2.87Å; I142-V203 CarbonylContact C-O 3.59Å; I142-V203 WeakPolarHBondContact CA-O 3.31Å; S143-V203 PolarHBondContact N-O 3.16Å; V203-S205 PolarHBondContact O-N 3.34Å; V203-L249 HydrophobicContact CG1-CD1 4.05Å; V203-V252 HydrophobicContact CG1-CG1 4.25Å; V203-V256 HydrophobicContact CG2-CG2 4.46Å; V203-L266 CarbonylContact C-O 3.44Å; V203-L266 WeakPolarHBondContact CA-O 3.49Å; V203-L266 HydrophobicContact CG2-CD1 4.46Å; V203-A268 HydrophobicContact CG1-CB 3.74Å
204A96.1Very high89.6Confident0 Ų024.9 Ų24.90%013%0.126CC..EExtended strand (participates in β ladder)trans-85.2110.6175.600000109.4Y265 L266 L267 A268A204-Y265 HydrophobicContact CB-CE1 4.28Å; A204-Y265 HydrophobicContact CB-CE2 4.28Å; A204-Y265 WeakPolarHBondContact CB-OH 3.42Å; A204-L266 PolarHBondContact N-O 2.67Å; A204-L267 HydrophobicContact CB-CD1 4.23Å; A204-A268 PolarHBondContact O-N 2.84Å
205S95.7Very high89.9Confident1 Ų122.4 Ų22.41%0.00711%0.114CC..EExtended strand (participates in β ladder)trans-86142179.669.80000111.4S143 V145 V203 Q208 A268S143-S205 PolarHBondContact O-N 2.93Å; S143-S205 PolarHBondContact O-OG 3.48Å; S143-S205 VanDerWaalsContact O-OG 3.09Å; V145-S205 WeakPolarHBondContact CG1-O 3.19Å; V145-S205 PolarHBondContact N-O 3.2Å; V203-S205 PolarHBondContact O-N 3.34Å; S205-Q208 PolarHBondContact OG-NE2 2.82Å; S205-A268 CarbonylContact C-O 3.56Å; S205-A268 WeakPolarHBondContact CA-O 3.44Å
206G94.8Very high90.2Very high2 Ų219.3 Ų19.32%0.02110%0.102CC..  trans-58178.915800000112.3Q208 P242 A268G206-Q208 WeakPolarHBondContact O-CG 3.41Å; G206-Q208 PolarHBondContact O-N 2.82Å; G206-P242 CarbonylContact C-O 3.26Å; G206-P242 WeakPolarHBondContact CA-O 3.33Å; G206-A268 PolarHBondContact N-O 3.09Å
207L94.6Very high90.5Very high8 Ų812.7 Ų12.74%0.0427%0.071CC..EExtended strand (participates in β ladder)trans-64.3128.2172.4-60.1-165.7000109.9I241 P242 T243 I244L207-I241 HydrophobicContact CB-CG2 4.28Å; L207-I241 HydrophobicContact CD1-CG2 3.39Å; L207-I241 HydrophobicContact CG-CG2 3.9Å; L207-P242 PolarHBondContact N-O 3.42Å; L207-T243 HydrophobicContact CB-CG2 4.44Å; L207-T243 CarbonylContact O-C 3.53Å; L207-T243 VanDerWaalsContact O-CA 3.28Å; L207-T243 WeakPolarHBondContact O-CA 3.24Å; L207-I244 PolarHBondContact O-N 3.01Å
208Q94.6Very high90.5Very high11 Ų1110 Ų105%0.0516%0.057CC..EExtended strand (participates in β ladder)trans-91.4129.3-166.1-61173.513.900111.6Y20 S21 S110 S205 G206 I244 V246 L249Y20-Q208 HydrophobicContact CE1-CB 4.39Å; S21-Q208 PolarHBondContact OG-OE1 2.96Å; S110-Q208 PolarHBondContact OG-NE2 3.47Å; S205-Q208 PolarHBondContact OG-NE2 2.82Å; G206-Q208 WeakPolarHBondContact O-CG 3.41Å; G206-Q208 PolarHBondContact O-N 2.82Å; Q208-I244 WeakPolarHBondContact CA-O 3.26Å; Q208-I244 HydrophobicContact CG-CG2 4.18Å; Q208-V246 HydrophobicContact CB-CG2 3.9Å; Q208-L249 HydrophobicContact CG-CD2 4.17Å
209Y94.4Very high90.5Very high1 Ų19.9 Ų9.90%0.0046%0.056CC..EExtended strand (participates in β ladder)trans-131.8168.417768.7-87.1000112.2Y20 T243 I244 H245 V246 D270 C335 G338 L339 V346Y20-Y209 WeakPolarHBondContact OH-CA 3.43Å; Y209-T243 HydrophobicContact CD1-CG2 4.42Å; Y209-I244 WeakPolarHBondContact CD1-O 3.47Å; Y209-I244 PolarHBondContact N-O 2.84Å; Y209-I244 VanDerWaalsContact N-O 3.1Å; Y209-H245 HydrophobicContact CD2-CB 4.47Å; Y209-H245 AromaticContact CD2-CD2 3.7Å; Y209-H245 HydrophobicContact CE1-CB 4.41Å; Y209-H245 VanDerWaalsContact CE1-N 3.35Å; Y209-H245 HydrophobicContact CE2-CB 3.92Å; Y209-H245 AromaticContact CE2-CD2 3.54Å; Y209-H245 CarbonylContact O-C 3.54Å; Y209-H245 WeakPolarHBondContact O-CA 3.33Å; Y209-V246 WeakPolarHBondContact O-CG2 3.21Å; Y209-V246 PolarHBondContact O-N 3.14Å; Y209-D270 WeakPolarHBondContact CE1-OD2 3.12Å; Y209-D270 PolarHBondContact OH-OD2 3.43Å; Y209-D270 VanDerWaalsContact OH-OD2 3.04Å; Y209-C335 HydrophobicContact CE2-CB 4.32Å; Y209-C335 WeakPolarHBondContact OH-CB 3.38Å; Y209-G338 VanDerWaalsContact OH-C 3.23Å; Y209-G338 VanDerWaalsContact OH-CA 3.26Å; Y209-G338 WeakPolarHBondContact OH-CA 3.44Å; Y209-L339 HydrophobicContact CD2-CB 4.12Å; Y209-L339 HydrophobicContact CD2-CD1 3.7Å; Y209-L339 HydrophobicContact CD2-CG 4.36Å; Y209-L339 HydrophobicContact CE1-CB 4.35Å; Y209-L339 HydrophobicContact CE2-CB 3.85Å; Y209-L339 HydrophobicContact CE2-CD1 3.95Å; Y209-L339 HydrophobicContact CE2-CG 4.48Å; Y209-L339 HydrophobicContact CG-CB 4.48Å; Y209-L339 HydrophobicContact CG-CD1 4.43Å; Y209-L339 PolarHBondContact OH-N 2.85Å; Y209-V346 HydrophobicContact CD2-CG2 4.05Å; Y209-V346 HydrophobicContact CE2-CG2 4.06Å
210G89.3Confident90.3Very high0 Ų09.6 Ų9.60%05%0.054CC..SBendtrans98.2155.5179.900000115.7Y20 G212 H245Y20-G210 VanDerWaalsContact CE2-O 3.25Å; Y20-G210 WeakPolarHBondContact CE2-O 3.43Å; Y20-G210 VanDerWaalsContact CZ-O 3.22Å; Y20-G210 PolarHBondContact OH-N 3.44Å; Y20-G210 PolarHBondContact OH-O 3.38Å; G210-G212 VanDerWaalsContact C-N 3.26Å; G210-G212 PolarHBondContact O-N 3.5Å; G210-G212 VanDerWaalsContact O-N 3.17Å; G210-H245 VanDerWaalsContact CA-NE2 3.29Å; G210-H245 WeakPolarHBondContact CA-NE2 3.42Å
211M82.1Confident89.9Confident59 Ų5912.4 Ų12.429%0.2917%0.066SC..SBendtrans56.228.4176.9-59.2-72.6161.100115.9N24 T247 E349 S353N24-M211 WeakPolarHBondContact ND2-CB 3.2Å; M211-T247 HydrophobicContact CE-CG2 3.95Å; M211-T247 HydrophobicContact CG-CG2 4.18Å; M211-E349 HydrophobicContact CE-CG 3.68Å; M211-E349 WeakPolarHBondContact CE-OE1 3.21Å; M211-E349 WeakPolarHBondContact CE-OE2 3.32Å; M211-E349 PolarHBondContact N-OE2 3.35Å; M211-E349 HydrophobicContact SD-CB 4.35Å; M211-E349 HydrophobicContact SD-CG 4.1Å; M211-S353 WeakPolarHBondContact O-CB 3.49Å
212G67.9Low89.5Confident5 Ų514.3 Ų14.35%0.0528%0.075CC..SBendtrans125.338.7169.300000116.8G210 S353 R354G210-G212 VanDerWaalsContact C-N 3.26Å; G210-G212 PolarHBondContact O-N 3.5Å; G210-G212 VanDerWaalsContact O-N 3.17Å; G212-S353 WeakPolarHBondContact CA-OG 3.42Å; G212-S353 PolarHBondContact N-OG 2.99Å; G212-R354 PolarHBondContact O-NH2 3.08Å
213E72.1Confident89Confident3 Ų314.3 Ų14.31%0.0148%0.075CC..  trans-26.9140.6-142.666.3-70.1146.500119.6F216 H217 F220 Y350E213-F216 HydrophobicContact CG-CB 4.41Å; E213-H217 HydrophobicContact CG-CB 4.33Å; E213-H217 VanDerWaalsContact O-CB 3.28Å; E213-H217 WeakPolarHBondContact O-CB 3.36Å; E213-H217 IonicContact OE1-ND1 2.85Å; E213-H217 PolarHBondContact OE1-ND1 3.39Å; E213-H217 VanDerWaalsContact OE1-ND1 3.1Å; E213-F220 HydrophobicContact CG-CB 3.99Å; E213-F220 HydrophobicContact CG-CD1 4.32Å; E213-F220 HydrophobicContact CG-CD2 3.57Å; E213-F220 HydrophobicContact CG-CE2 4.06Å; E213-F220 HydrophobicContact CG-CG 3.71Å; E213-F220 WeakPolarHBondContact OE1-CB 3.42Å; E213-F220 WeakPolarHBondContact OE1-CG 3.4Å; E213-Y350 WeakPolarHBondContact OE1-CD2 3.26Å; E213-Y350 WeakPolarHBondContact OE1-CE2 3.4Å; E213-Y350 WeakPolarHBondContact OE2-CB 3.38Å; E213-Y350 WeakPolarHBondContact OE2-CD2 3.45Å; E213-Y350 WeakPolarHBondContact OE2-CE2 3.48Å
214G83.4Confident88.5Confident18 Ų1816 Ų1619%0.1868%0.081CC..SBendtrans-77.9-99.3-178.900000113.7Y20 F216 H217Y20-G214 VanDerWaalsContact CZ-N 3.31Å; Y20-G214 PolarHBondContact OH-N 2.62Å; G214-F216 PolarHBondContact O-N 2.9Å; G214-H217 VanDerWaalsContact O-CB 3.3Å; G214-H217 WeakPolarHBondContact O-CB 3.26Å; G214-H217 PolarHBondContact O-N 2.92Å; G214-H217 VanDerWaalsContact O-N 3.11Å
215V88Confident87.8Confident26 Ų2619 Ų1916%0.15810%0.097CC..THydrogen-bonded Turntrans-64-27-174-176.50000112.2H217 E310 L314V215-H217 VanDerWaalsContact C-N 3.33Å; V215-E310 HydrophobicContact CG1-CB 4.31Å; V215-E310 HydrophobicContact CG1-CG 4.42Å; V215-L314 HydrophobicContact CG1-CD2 3.88Å; V215-L314 HydrophobicContact CG1-CG 4.01Å
216F92.2Very high86.7Confident2 Ų221 Ų211%0.00912%0.118CC..THydrogen-bonded Turntrans-861.4179.4-58.6-66.8000114.4E213 G214 F218 F219 F220 I241 T243 L279 L314 L339E213-F216 HydrophobicContact CG-CB 4.41Å; G214-F216 PolarHBondContact O-N 2.9Å; F216-F218 PolarHBondContact O-N 2.94Å; F216-F219 HydrophobicContact CD1-CD2 4.31Å; F216-F219 PolarHBondContact O-N 3.21Å; F216-F219 VanDerWaalsContact O-N 3.09Å; F216-F220 HydrophobicContact CB-CD2 4.29Å; F216-F220 HydrophobicContact CB-CE2 4.37Å; F216-F220 PolarHBondContact O-N 3.39Å; F216-I241 HydrophobicContact CZ-CG2 4.38Å; F216-T243 HydrophobicContact CE2-CG2 4.02Å; F216-T243 HydrophobicContact CZ-CG2 3.94Å; F216-L279 HydrophobicContact CE1-CD1 4.26Å; F216-L279 HydrophobicContact CZ-CD1 4.14Å; F216-L314 HydrophobicContact CD1-CD2 4.36Å; F216-L314 HydrophobicContact CE1-CD2 4.01Å; F216-L339 HydrophobicContact CD2-CD2 4.48Å
217H91.5Very high85.7Confident43 Ų4328 Ų2820%0.19915%0.15CC..Hα-helixtrans-54.2-40-176.9-171.141.6000113.7E213 G214 V215 F219 F220 K221 Y350 R354E213-H217 HydrophobicContact CG-CB 4.33Å; E213-H217 VanDerWaalsContact O-CB 3.28Å; E213-H217 WeakPolarHBondContact O-CB 3.36Å; E213-H217 IonicContact OE1-ND1 2.85Å; E213-H217 PolarHBondContact OE1-ND1 3.39Å; E213-H217 VanDerWaalsContact OE1-ND1 3.1Å; G214-H217 VanDerWaalsContact O-CB 3.3Å; G214-H217 WeakPolarHBondContact O-CB 3.26Å; G214-H217 PolarHBondContact O-N 2.92Å; G214-H217 VanDerWaalsContact O-N 3.11Å; V215-H217 VanDerWaalsContact C-N 3.33Å; H217-F219 VanDerWaalsContact C-N 3.32Å; H217-F219 PolarHBondContact O-N 3.01Å; H217-F220 PolarHBondContact O-N 3.47Å; H217-K221 WeakPolarHBondContact O-CB 3.25Å; H217-K221 PolarHBondContact O-N 3.34Å; H217-Y350 PolarHBondContact CE1-OH 3.47Å; H217-Y350 VanDerWaalsContact CE1-OH 3.3Å; H217-R354 PolarHBondContact CE1-NH1 2.9Å; H217-R354 VanDerWaalsContact CE1-NH1 3.35Å; H217-R354 PolarHBondContact CE1-NH2 2.89Å; H217-R354 PolarHBondContact ND1-NH2 3.36Å; H217-R354 PolarHBondContact NE2-NH1 3.13Å; H217-R354 PolarHBondContact NE2-NH2 3.45Å
218F90.8Very high84.9Confident19 Ų1929 Ų298%0.08316%0.159CC..Hα-helixtrans-54.5-49178.9171.3-99.9000111.5F216 K221 E222 Y234 N303 E305 L306F216-F218 PolarHBondContact O-N 2.94Å; F218-K221 PolarHBondContact O-N 2.78Å; F218-E222 WeakPolarHBondContact O-CB 3.45Å; F218-E222 PolarHBondContact O-N 2.92Å; F218-Y234 HydrophobicContact CE1-CE2 4.08Å; F218-N303 HydrophobicContact CE2-CB 4.32Å; F218-E305 HydrophobicContact CD2-CB 4.26Å; F218-L306 HydrophobicContact CB-CD1 4.41Å; F218-L306 HydrophobicContact CB-CD2 3.71Å; F218-L306 HydrophobicContact CB-CG 4.09Å; F218-L306 HydrophobicContact CD1-CD1 4.03Å; F218-L306 HydrophobicContact CD2-CD1 4.46Å; F218-L306 HydrophobicContact CD2-CG 4.31Å; F218-L306 HydrophobicContact CE1-CD1 4.5Å; F218-L306 HydrophobicContact CG-CD1 4.02Å; F218-L306 HydrophobicContact CG-CD2 4.19Å; F218-L306 HydrophobicContact CG-CG 4.04Å
219F91.1Very high84.1Confident0 Ų033.4 Ų33.40%019%0.192CC..Hα-helixtrans-68.6-40.8-179-58.7-72.5000112.4F216 H217 S223 I231 M276 V280 I283 L314F216-F219 HydrophobicContact CD1-CD2 4.31Å; F216-F219 PolarHBondContact O-N 3.21Å; F216-F219 VanDerWaalsContact O-N 3.09Å; H217-F219 VanDerWaalsContact C-N 3.32Å; H217-F219 PolarHBondContact O-N 3.01Å; F219-S223 WeakPolarHBondContact O-CB 3.45Å; F219-S223 PolarHBondContact O-N 2.98Å; F219-S223 PolarHBondContact O-OG 2.7Å; F219-I231 HydrophobicContact CD1-CG2 4.27Å; F219-M276 HydrophobicContact CD2-CE 4.41Å; F219-M276 HydrophobicContact CE1-CE 4.11Å; F219-M276 HydrophobicContact CE2-CE 3.43Å; F219-M276 VanDerWaalsContact CE2-CE 3.43Å; F219-M276 HydrophobicContact CZ-CE 3.24Å; F219-V280 HydrophobicContact CD1-CG1 4.15Å; F219-V280 HydrophobicContact CD1-CG2 3.94Å; F219-V280 HydrophobicContact CE1-CG1 4.5Å; F219-V280 HydrophobicContact CE1-CG2 3.89Å; F219-V280 HydrophobicContact CG-CG2 4.28Å; F219-V280 HydrophobicContact CZ-CG2 4.2Å; F219-I283 HydrophobicContact CB-CD1 4.32Å; F219-I283 HydrophobicContact CB-CG2 4.32Å; F219-L314 HydrophobicContact CE2-CD1 4Å; F219-L314 HydrophobicContact CE2-CD2 4.39Å; F219-L314 HydrophobicContact CZ-CD1 4.29Å
220F90.9Very high83.7Confident1 Ų134.1 Ų34.10%0.00420%0.198CC..Hα-helixtrans-62.5-43.5175.2-88.8-105000111.4E213 F216 H217 W224 I283 V287 V346 V347 Y350E213-F220 HydrophobicContact CG-CB 3.99Å; E213-F220 HydrophobicContact CG-CD1 4.32Å; E213-F220 HydrophobicContact CG-CD2 3.57Å; E213-F220 HydrophobicContact CG-CE2 4.06Å; E213-F220 HydrophobicContact CG-CG 3.71Å; E213-F220 WeakPolarHBondContact OE1-CB 3.42Å; E213-F220 WeakPolarHBondContact OE1-CG 3.4Å; F216-F220 HydrophobicContact CB-CD2 4.29Å; F216-F220 HydrophobicContact CB-CE2 4.37Å; F216-F220 PolarHBondContact O-N 3.39Å; H217-F220 PolarHBondContact O-N 3.47Å; F220-W224 WeakPolarHBondContact O-CB 3.19Å; F220-W224 PolarHBondContact O-N 2.95Å; F220-I283 HydrophobicContact CD2-CD1 3.88Å; F220-I283 HydrophobicContact CD2-CG1 4.19Å; F220-I283 HydrophobicContact CD2-CG2 3.92Å; F220-I283 HydrophobicContact CE2-CD1 3.48Å; F220-I283 VanDerWaalsContact CE2-CD1 3.48Å; F220-I283 HydrophobicContact CE2-CG1 3.62Å; F220-I283 HydrophobicContact CE2-CG2 4.13Å; F220-I283 HydrophobicContact CG-CG2 4.26Å; F220-I283 HydrophobicContact CZ-CD1 4.43Å; F220-I283 HydrophobicContact CZ-CG1 4.11Å; F220-V287 HydrophobicContact CD1-CG2 4.05Å; F220-V287 HydrophobicContact CE1-CG2 4.04Å; F220-V346 HydrophobicContact CZ-CG1 4.1Å; F220-V347 HydrophobicContact CE1-CG2 3.91Å; F220-Y350 HydrophobicContact CB-CE1 4.23Å; F220-Y350 AromaticContact CD1-CD1 3.86Å; F220-Y350 HydrophobicContact CD1-CD1 3.86Å; F220-Y350 HydrophobicContact CD1-CE1 4.21Å; F220-Y350 HydrophobicContact CD1-CG 4.12Å
221K88.8Confident83.8Confident61 Ų6134.1 Ų34.127%0.26520%0.198SC..Hα-helixtrans-68.7-46.2-180-178.2-177.1169.1-163.60112.4H217 F218 S223 W224 L225 E305H217-K221 WeakPolarHBondContact O-CB 3.25Å; H217-K221 PolarHBondContact O-N 3.34Å; F218-K221 PolarHBondContact O-N 2.78Å; K221-S223 VanDerWaalsContact C-N 3.31Å; K221-S223 PolarHBondContact O-N 3.08Å; K221-W224 PolarHBondContact O-N 2.62Å; K221-L225 HydrophobicContact CG-CD1 3.97Å; K221-L225 HydrophobicContact CG-CG 4.49Å; K221-L225 WeakPolarHBondContact O-CB 3.23Å; K221-L225 VanDerWaalsContact O-CG 3.3Å; K221-L225 WeakPolarHBondContact O-CG 3.27Å; K221-L225 PolarHBondContact O-N 2.93Å; K221-E305 WeakPolarHBondContact CD-OE2 3.4Å; K221-E305 IonicContact NZ-OE1 3.54Å; K221-E305 PolarHBondContact NZ-OE1 2.96Å; K221-E305 IonicContact NZ-OE2 2.78Å; K221-E305 PolarHBondContact NZ-OE2 3.17Å
222E87.1Confident84.2Confident40 Ų4031.3 Ų31.319%0.18718%0.184CC..Hα-helixtrans-60.4-44.7176.9-168.2-175.6-174.800110.4F218 L225 G226 I231F218-E222 WeakPolarHBondContact O-CB 3.45Å; F218-E222 PolarHBondContact O-N 2.92Å; E222-L225 PolarHBondContact O-N 3.49Å; E222-G226 PolarHBondContact O-N 2.67Å; E222-I231 HydrophobicContact CB-CD1 4.37Å; E222-I231 HydrophobicContact CG-CD1 4Å
223S87.3Confident85.3Confident1 Ų131.1 Ų31.11%0.00718%0.182CC..Hα-helixtrans-62.5-43.5175.5-58.80000112.2F219 K221 G226 G288F219-S223 WeakPolarHBondContact O-CB 3.45Å; F219-S223 PolarHBondContact O-N 2.98Å; F219-S223 PolarHBondContact O-OG 2.7Å; K221-S223 VanDerWaalsContact C-N 3.31Å; K221-S223 PolarHBondContact O-N 3.08Å; S223-G226 PolarHBondContact O-N 2.87Å; S223-G288 WeakPolarHBondContact O-CA 3.26Å
224W85.1Confident86.1Confident34 Ų3431.5 Ų31.513%0.12918%0.183CC..Hα-helixtrans-68.6-35-178.7-170.1-78.6000112.8F220 K221 G226 V287 Y350 R351 L356 N456 Q457F220-W224 WeakPolarHBondContact O-CB 3.19Å; F220-W224 PolarHBondContact O-N 2.95Å; K221-W224 PolarHBondContact O-N 2.62Å; W224-G226 VanDerWaalsContact C-N 3.33Å; W224-V287 HydrophobicContact CB-CG1 4.12Å; W224-V287 HydrophobicContact CE3-CG1 3.82Å; W224-Y350 HydrophobicContact CE3-CD1 4.29Å; W224-Y350 HydrophobicContact CE3-CE1 4.11Å; W224-R351 HydrophobicContact CH2-CG 3.55Å; W224-R351 HydrophobicContact CZ3-CG 3.71Å; W224-L356 HydrophobicContact CD2-CD1 4.14Å; W224-L356 HydrophobicContact CE3-CD1 4.45Å; W224-L356 HydrophobicContact CH2-CB 4.03Å; W224-L356 HydrophobicContact CZ2-CB 3.67Å; W224-L356 HydrophobicContact CZ2-CD1 4.19Å; W224-L356 HydrophobicContact CZ2-CG 4.39Å; W224-N456 HydrophobicContact CE3-CB 4.18Å; W224-N456 VanDerWaalsContact CH2-C 3.49Å; W224-N456 HydrophobicContact CH2-CB 3.57Å; W224-N456 WeakPolarHBondContact CH2-O 3.17Å; W224-N456 HydrophobicContact CZ2-CB 4.24Å; W224-N456 WeakPolarHBondContact CZ2-O 3.48Å; W224-N456 HydrophobicContact CZ3-CB 3.54Å; W224-Q457 PolarHBondContact O-NE2 2.89Å
225L81.2Confident86.3Confident63 Ų6331.6 Ų31.633%0.3318%0.184SC..Hα-helixtrans-73-27-180-72.8168.7000112.6K221 E222 E227K221-L225 HydrophobicContact CG-CD1 3.97Å; K221-L225 HydrophobicContact CG-CG 4.49Å; K221-L225 WeakPolarHBondContact O-CB 3.23Å; K221-L225 VanDerWaalsContact O-CG 3.3Å; K221-L225 WeakPolarHBondContact O-CG 3.27Å; K221-L225 PolarHBondContact O-N 2.93Å; E222-L225 PolarHBondContact O-N 3.49Å; L225-E227 HydrophobicContact CB-CG 4.36Å; L225-E227 PolarHBondContact O-N 3.37Å; L225-E227 VanDerWaalsContact O-N 3.14Å
226G74.1Confident86.2Confident43 Ų4335.7 Ų35.744%0.44321%0.205SC..  trans62.917.5175.800000114.9E222 S223 W224 A228E222-G226 PolarHBondContact O-N 2.67Å; S223-G226 PolarHBondContact O-N 2.87Å; W224-G226 VanDerWaalsContact C-N 3.33Å; G226-A228 VanDerWaalsContact C-N 3.35Å
227E73.5Confident86Confident149 Ų14935.6 Ų35.670%0.69620%0.204SC*.  trans-73.5-30.4179.2-67.5-179.6-17500111.7L225 K383L225-E227 HydrophobicContact CB-CG 4.36Å; L225-E227 PolarHBondContact O-N 3.37Å; L225-E227 VanDerWaalsContact O-N 3.14Å; E227-K383 IonicContact OE1-NZ 2.88Å; E227-K383 PolarHBondContact OE1-NZ 3.5Å
228A76.9Confident85.9Confident29 Ų2940.9 Ų40.924%0.2423%0.227CC..SBendtrans-92.2135.5174.800000110.6G226 A230G226-A228 VanDerWaalsContact C-N 3.35Å; A228-A230 PolarHBondContact O-N 2.85Å
229S78.1Confident86Confident104 Ų10441 Ų4173%0.72723%0.229SC*.SBendtrans-71.6-17.1174.255.40000113.3
230A86.8Confident86.1Confident16 Ų1641.8 Ų41.813%0.13223%0.232CC..SBendtrans-150.8145.2175.300000111A228 N291 V293A228-A230 PolarHBondContact O-N 2.85Å; A230-N291 CarbonylContact C-O 3.57Å; A230-N291 WeakPolarHBondContact CA-O 3.25Å; A230-N291 HydrophobicContact CB-CB 3.82Å; A230-V293 HydrophobicContact CB-CB 4.44Å; A230-V293 HydrophobicContact CB-CG2 3.64Å
231I90.3Very high86.3Confident1 Ų141.7 Ų41.71%0.00523%0.232CC..EExtended strand (participates in β ladder)trans-86.4139.1-179.7-53.6-58000110.4F219 E222 V280 A284 P289 N291 T292 V293F219-I231 HydrophobicContact CD1-CG2 4.27Å; E222-I231 HydrophobicContact CB-CD1 4.37Å; E222-I231 HydrophobicContact CG-CD1 4Å; I231-V280 HydrophobicContact CG2-CG1 3.8Å; I231-A284 HydrophobicContact CB-CB 4.09Å; I231-A284 HydrophobicContact CG1-CB 3.8Å; I231-P289 HydrophobicContact CG1-CG 4.49Å; I231-N291 PolarHBondContact N-O 3.01Å; I231-T292 CarbonylContact O-C 3Å; I231-T292 VanDerWaalsContact O-CA 3.27Å; I231-T292 WeakPolarHBondContact O-CA 3.29Å; I231-V293 PolarHBondContact O-N 2.75Å
232S90.4Very high86.5Confident0 Ų039 Ų390%022%0.22CC..EExtended strand (participates in β ladder)trans-85.6123.3-173.6-56.50000111.7V293 R295S232-V293 WeakPolarHBondContact CA-O 3.3Å; S232-R295 PolarHBondContact OG-NE 3.06Å; S232-R295 VanDerWaalsContact OG-NE 3.1Å; S232-R295 PolarHBondContact OG-NH2 3.37Å
233I91.1Very high86.9Confident0 Ų037 Ų370%021%0.211CC..EExtended strand (participates in β ladder)trans-95.5118.6167.5-59.8173.1000107.3E277 V280 K281 T292 V293 N294 R295I233-E277 HydrophobicContact CD1-CB 4.48Å; I233-E277 HydrophobicContact CD1-CG 4.04Å; I233-V280 HydrophobicContact CD1-CB 4.48Å; I233-V280 HydrophobicContact CD1-CG1 4.44Å; I233-V280 HydrophobicContact CG1-CB 3.98Å; I233-V280 HydrophobicContact CG1-CG1 3.69Å; I233-K281 HydrophobicContact CD1-CG 4.28Å; I233-T292 HydrophobicContact CD1-CG2 4.15Å; I233-V293 PolarHBondContact N-O 2.95Å; I233-N294 CarbonylContact O-C 3.5Å; I233-N294 WeakPolarHBondContact O-CA 3.34Å; I233-R295 PolarHBondContact O-N 3.26Å
234Y88.9Confident87.3Confident12 Ų1237 Ų375%0.04721%0.211CC..EExtended strand (participates in β ladder)trans-88.7121.3-177.8-63.9-79.1000110.7F218 R295 D299 I300 N303F218-Y234 HydrophobicContact CE1-CE2 4.08Å; Y234-R295 HydrophobicContact CD1-CB 4.23Å; Y234-R295 HydrophobicContact CE1-CB 4.39Å; Y234-D299 HydrophobicContact CD1-CB 4.23Å; Y234-D299 HydrophobicContact CE1-CB 3.91Å; Y234-I300 HydrophobicContact CD1-CB 3.69Å; Y234-I300 HydrophobicContact CD1-CG1 4.23Å; Y234-I300 HydrophobicContact CD2-CB 4.1Å; Y234-I300 HydrophobicContact CD2-CD1 3.68Å; Y234-I300 HydrophobicContact CD2-CG1 3.71Å; Y234-I300 HydrophobicContact CE1-CB 4.02Å; Y234-I300 HydrophobicContact CE1-CG1 4.4Å; Y234-I300 HydrophobicContact CE2-CB 4.41Å; Y234-I300 HydrophobicContact CE2-CD1 4.29Å; Y234-I300 HydrophobicContact CE2-CG1 3.92Å; Y234-I300 HydrophobicContact CG-CB 3.73Å; Y234-I300 HydrophobicContact CG-CD1 3.94Å; Y234-I300 HydrophobicContact CG-CG1 3.89Å; Y234-N303 PolarHBondContact OH-ND2 3.3Å
235G88.4Confident87.8Confident19 Ų1935.4 Ų35.420%0.19621%0.205CC..SBendtrans85.8-154.3-175.400000112.8R295G235-R295 PolarHBondContact N-O 2.88Å
236D85.5Confident88.4Confident112 Ų11232.4 Ų32.460%0.59919%0.189SC*.  trans-86.4-14-179.851.8-22.9000113.5K238D236-K238 PolarHBondContact O-N 2.9Å
237G87.9Confident89.3Confident0 Ų031 Ų310%017%0.172CC..  trans700.8171.900000115.6N239 S275 M276 E277G237-N239 VanDerWaalsContact C-N 3.27Å; G237-N239 PolarHBondContact O-N 3.11Å; G237-S275 WeakPolarHBondContact O-CB 3.48Å; G237-M276 PolarHBondContact O-N 2.84Å; G237-E277 WeakPolarHBondContact O-CB 3.47Å; G237-E277 PolarHBondContact O-N 2.99Å
238K90.7Very high90.2Very high154 Ų15424 Ų2467%0.6714%0.139SC*.  trans-80.2-5.2-177.8-66.1-179.3-179.4-178.60114.1D236D236-K238 PolarHBondContact O-N 2.9Å
239N92.4Very high91.1Very high23 Ų2322.6 Ų22.612%0.12313%0.128CC..  trans-71136.1179.264.9-66.9000110.3G237 S275 M276 L314 V316 N317G237-N239 VanDerWaalsContact C-N 3.27Å; G237-N239 PolarHBondContact O-N 3.11Å; N239-S275 CarbonylContact O-C 3.55Å; N239-S275 WeakPolarHBondContact O-CA 3.29Å; N239-M276 PolarHBondContact O-N 3.09Å; N239-M276 VanDerWaalsContact OD1-CB 3.26Å; N239-M276 WeakPolarHBondContact OD1-CB 3.44Å; N239-L314 PolarHBondContact ND2-O 3.23Å; N239-V316 WeakPolarHBondContact CB-O 3.39Å; N239-V316 PolarHBondContact ND2-O 3.23Å; N239-N317 HydrophobicContact CB-CB 3.96Å
240I93.3Very high91.8Very high15 Ų1517.6 Ų17.68%0.0779%0.093CC..BIsolated β-bridgetrans-91.9124.4-179.3-64.5166.8000109.2N273 N317 L318 R319I240-N273 HydrophobicContact CG2-CB 4.21Å; I240-N317 PolarHBondContact N-OD1 3.41Å; I240-N317 WeakPolarHBondContact O-CA 3.32Å; I240-L318 PolarHBondContact O-N 2.99Å; I240-R319 HydrophobicContact CB-CG 4.43Å; I240-R319 HydrophobicContact CD1-CG 3.63Å; I240-R319 HydrophobicContact CG2-CG 4.16Å
241I94.1Very high92Very high0 Ų016.9 Ų16.90%09%0.087CC..  trans-106.2112.4-174.8-60.1-176.9000108.5L207 F216 T243 N274 M276 L279 L314L207-I241 HydrophobicContact CB-CG2 4.28Å; L207-I241 HydrophobicContact CD1-CG2 3.39Å; L207-I241 HydrophobicContact CG-CG2 3.9Å; F216-I241 HydrophobicContact CZ-CG2 4.38Å; I241-T243 HydrophobicContact CG2-CG2 3.96Å; I241-T243 PolarHBondContact O-N 2.69Å; I241-N274 PolarHBondContact N-O 3.15Å; I241-M276 HydrophobicContact CD1-CB 3.81Å; I241-M276 HydrophobicContact CD1-CG 4.03Å; I241-M276 HydrophobicContact CD1-SD 3.31Å; I241-M276 WeakPolarHBondContact CD1-SD 3.19Å; I241-M276 HydrophobicContact CG1-CB 4.45Å; I241-L279 HydrophobicContact CB-CD1 4.12Å; I241-L279 HydrophobicContact CD1-CD1 4.29Å; I241-L314 HydrophobicContact CD1-CD2 4.43Å
242P94.4Very high92.2Very high3 Ų316.8 Ų16.82%0.0199%0.087CC..  trans-71.2119.5174.227.9-32.8000109.6V145 G206 L207 V269 V316 L318 M320V145-P242 HydrophobicContact CB-CG 4.35Å; V145-P242 HydrophobicContact CG1-CG 4.47Å; V145-P242 HydrophobicContact CG2-CG 4.01Å; G206-P242 CarbonylContact C-O 3.26Å; G206-P242 WeakPolarHBondContact CA-O 3.33Å; L207-P242 PolarHBondContact N-O 3.42Å; P242-V269 HydrophobicContact CB-CG1 3.98Å; P242-V316 HydrophobicContact CG-CG1 4.23Å; P242-L318 HydrophobicContact CG-CB 4.18Å; P242-M320 HydrophobicContact CB-CB 4.29Å; P242-M320 HydrophobicContact CB-SD 4.25Å; P242-M320 HydrophobicContact CG-SD 4.2Å
243T95.4Very high92.3Very high0 Ų016.8 Ų16.80%09%0.087CC..EExtended strand (participates in β ladder)trans-114164.6-176.153.20000112.4L207 Y209 F216 I241 V269 D270 S272L207-T243 HydrophobicContact CB-CG2 4.44Å; L207-T243 CarbonylContact O-C 3.53Å; L207-T243 VanDerWaalsContact O-CA 3.28Å; L207-T243 WeakPolarHBondContact O-CA 3.24Å; Y209-T243 HydrophobicContact CD1-CG2 4.42Å; F216-T243 HydrophobicContact CE2-CG2 4.02Å; F216-T243 HydrophobicContact CZ-CG2 3.94Å; I241-T243 HydrophobicContact CG2-CG2 3.96Å; I241-T243 PolarHBondContact O-N 2.69Å; T243-V269 CarbonylContact O-C 3.16Å; T243-V269 WeakPolarHBondContact O-CA 3.32Å; T243-D270 VanDerWaalsContact C-OD2 3.31Å; T243-D270 PolarHBondContact O-N 3.21Å; T243-D270 PolarHBondContact OG1-OD1 2.84Å; T243-D270 PolarHBondContact OG1-OD2 3.31Å; T243-S272 PolarHBondContact OG1-OG 3.33Å
244I95.1Very high92.3Very high0 Ų017.3 Ų17.30%09%0.089CC..EExtended strand (participates in β ladder)trans-153.5137.4167.1-174165.2000110.8L207 Q208 Y209 D248 L249 A268L207-I244 PolarHBondContact O-N 3.01Å; Q208-I244 WeakPolarHBondContact CA-O 3.26Å; Q208-I244 HydrophobicContact CG-CG2 4.18Å; Y209-I244 WeakPolarHBondContact CD1-O 3.47Å; Y209-I244 PolarHBondContact N-O 2.84Å; Y209-I244 VanDerWaalsContact N-O 3.1Å; I244-D248 HydrophobicContact CG1-CB 4.23Å; I244-L249 HydrophobicContact CD1-CB 4.01Å; I244-L249 HydrophobicContact CD1-CD1 4.49Å; I244-L249 HydrophobicContact CG1-CB 4.33Å; I244-A268 HydrophobicContact CD1-CB 3.68Å; I244-A268 WeakPolarHBondContact CD1-O 3.29Å
245H95.3Very high92.4Very high0 Ų017.2 Ų17.20%09%0.09CC..EExtended strand (participates in β ladder)trans-69.8138.1172.5-166.2-90.7000111Y209 G210 T247 D248 L249 H334 C335 E349Y209-H245 HydrophobicContact CD2-CB 4.47Å; Y209-H245 AromaticContact CD2-CD2 3.7Å; Y209-H245 HydrophobicContact CE1-CB 4.41Å; Y209-H245 VanDerWaalsContact CE1-N 3.35Å; Y209-H245 HydrophobicContact CE2-CB 3.92Å; Y209-H245 AromaticContact CE2-CD2 3.54Å; Y209-H245 CarbonylContact O-C 3.54Å; Y209-H245 WeakPolarHBondContact O-CA 3.33Å; G210-H245 VanDerWaalsContact CA-NE2 3.29Å; G210-H245 WeakPolarHBondContact CA-NE2 3.42Å; H245-T247 VanDerWaalsContact C-N 3.26Å; H245-T247 PolarHBondContact CE1-OG1 3.21Å; H245-T247 VanDerWaalsContact CE1-OG1 3.3Å; H245-T247 PolarHBondContact ND1-N 2.94Å; H245-T247 PolarHBondContact ND1-OG1 3.29Å; H245-T247 PolarHBondContact O-N 2.93Å; H245-D248 HydrophobicContact CB-CB 4.32Å; H245-D248 WeakPolarHBondContact O-CB 3.46Å; H245-D248 PolarHBondContact O-N 2.86Å; H245-L249 PolarHBondContact O-N 3.42Å; H245-H334 AromaticContact CE1-CD2 3.38Å; H245-H334 PolarHBondContact CE1-CD2 3.41Å; H245-H334 AromaticContact CE1-NE2 3.9Å; H245-H334 AromaticContact ND1-CD2 3.66Å; H245-H334 AromaticContact NE2-CD2 3.75Å; H245-C335 HydrophobicContact CB-CB 3.99Å; H245-C335 VanDerWaalsContact CD2-SG 3.57Å; H245-E349 IonicContact CE1-OE1 2.98Å; H245-E349 IonicContact CE1-OE2 3.11Å; H245-E349 PolarHBondContact CE1-OE2 3.21Å; H245-E349 IonicContact NE2-OE1 3.99Å; H245-E349 IonicContact NE2-OE2 2.64Å; H245-E349 PolarHBondContact NE2-OE2 3.18Å
246V93.2Very high92.6Very high0 Ų016.3 Ų16.30%08%0.08CC..Hα-helixtrans-62.9-31.8-174178.50000112.6Y20 N24 Q208 Y209 D248 A250Y20-V246 HydrophobicContact CD1-CG2 4.45Å; Y20-V246 HydrophobicContact CE1-CG2 3.5Å; N24-V246 HydrophobicContact CB-CB 4.45Å; N24-V246 HydrophobicContact CB-CG1 3.39Å; Q208-V246 HydrophobicContact CB-CG2 3.9Å; Y209-V246 WeakPolarHBondContact O-CG2 3.21Å; Y209-V246 PolarHBondContact O-N 3.14Å; V246-D248 VanDerWaalsContact C-N 3.33Å; V246-A250 WeakPolarHBondContact O-CB 3.42Å; V246-A250 PolarHBondContact O-N 3.13Å
247T92.8Very high92.9Very high14 Ų1411 Ų119%0.0865%0.052CC..Hα-helixtrans-68.9-33174.462.80000112.4M211 H245 A250 S251 H334M211-T247 HydrophobicContact CE-CG2 3.95Å; M211-T247 HydrophobicContact CG-CG2 4.18Å; H245-T247 VanDerWaalsContact C-N 3.26Å; H245-T247 PolarHBondContact CE1-OG1 3.21Å; H245-T247 VanDerWaalsContact CE1-OG1 3.3Å; H245-T247 PolarHBondContact ND1-N 2.94Å; H245-T247 PolarHBondContact ND1-OG1 3.29Å; H245-T247 PolarHBondContact O-N 2.93Å; T247-A250 PolarHBondContact O-N 3.04Å; T247-S251 WeakPolarHBondContact O-CB 3.39Å; T247-S251 PolarHBondContact O-N 3.46Å; T247-H334 VanDerWaalsContact OG1-CB 3.3Å; T247-H334 WeakPolarHBondContact OG1-CB 3.35Å
248D93.8Very high92.9Very high1 Ų116 Ų161%0.0058%0.075CC..Hα-helixtrans-73.2-41.3177.9-68.7-27.2000110.4I244 H245 V246 A250 S251 V252 W333 H334 C335I244-D248 HydrophobicContact CG1-CB 4.23Å; H245-D248 HydrophobicContact CB-CB 4.32Å; H245-D248 WeakPolarHBondContact O-CB 3.46Å; H245-D248 PolarHBondContact O-N 2.86Å; V246-D248 VanDerWaalsContact C-N 3.33Å; D248-A250 VanDerWaalsContact C-N 3.29Å; D248-A250 PolarHBondContact O-N 2.92Å; D248-S251 CarbonylContact O-C 3.56Å; D248-S251 WeakPolarHBondContact O-CA 3.4Å; D248-S251 VanDerWaalsContact O-CB 3.28Å; D248-S251 WeakPolarHBondContact O-CB 3.47Å; D248-S251 PolarHBondContact O-N 2.99Å; D248-S251 VanDerWaalsContact O-N 3.08Å; D248-V252 WeakPolarHBondContact O-CG2 3.46Å; D248-V252 PolarHBondContact O-N 2.87Å; D248-W333 HydrophobicContact CB-CE3 3.78Å; D248-W333 HydrophobicContact CB-CZ3 3.93Å; D248-H334 VanDerWaalsContact OD1-CB 3.29Å; D248-H334 WeakPolarHBondContact OD1-CB 3.48Å; D248-H334 PolarHBondContact OD1-N 2.94Å; D248-H334 PolarHBondContact OD2-N 3Å; D248-C335 PolarHBondContact OD2-N 3.23Å
249L94.4Very high92.8Very high0 Ų014 Ų140%07%0.068CC..Hα-helixtrans-55.4-46.1168.6178.562.1000111.4I142 V203 Q208 I244 H245 S251 V252 V253 A268I142-L249 HydrophobicContact CG2-CD1 4.49Å; I142-L249 HydrophobicContact CG2-CD2 4.17Å; V203-L249 HydrophobicContact CG1-CD1 4.05Å; Q208-L249 HydrophobicContact CG-CD2 4.17Å; I244-L249 HydrophobicContact CD1-CB 4.01Å; I244-L249 HydrophobicContact CD1-CD1 4.49Å; I244-L249 HydrophobicContact CG1-CB 4.33Å; H245-L249 PolarHBondContact O-N 3.42Å; L249-S251 VanDerWaalsContact C-N 3.3Å; L249-S251 PolarHBondContact O-N 2.82Å; L249-V252 PolarHBondContact O-N 2.78Å; L249-V253 WeakPolarHBondContact O-CG2 3.34Å; L249-V253 PolarHBondContact O-N 2.98Å; L249-A268 HydrophobicContact CD1-CB 4.04Å
250A92.9Very high92.8Very high0 Ų016.9 Ų16.90%08%0.081CC..Hα-helixtrans-63.5-35.917700000112.6V25 Y28 V246 T247 D248 V253 Q254V25-A250 HydrophobicContact CB-CB 4.33Å; V25-A250 HydrophobicContact CG1-CB 4.43Å; V25-A250 HydrophobicContact CG2-CB 4.03Å; Y28-A250 HydrophobicContact CD1-CB 3.71Å; Y28-A250 HydrophobicContact CD2-CB 4.37Å; Y28-A250 HydrophobicContact CE1-CB 4.44Å; Y28-A250 HydrophobicContact CG-CB 3.65Å; V246-A250 WeakPolarHBondContact O-CB 3.42Å; V246-A250 PolarHBondContact O-N 3.13Å; T247-A250 PolarHBondContact O-N 3.04Å; D248-A250 VanDerWaalsContact C-N 3.29Å; D248-A250 PolarHBondContact O-N 2.92Å; A250-V253 PolarHBondContact O-N 2.97Å; A250-Q254 WeakPolarHBondContact O-CB 3.43Å; A250-Q254 PolarHBondContact O-N 3.36Å
251S92.3Very high92.6Very high0 Ų016.6 Ų16.60%08%0.08CC..Hα-helixtrans-64.1-44.8173.6-165.70000111.6Y28 T247 D248 L249 Q254 N255Y28-S251 WeakPolarHBondContact OH-CB 3.36Å; Y28-S251 PolarHBondContact OH-OG 3.4Å; T247-S251 WeakPolarHBondContact O-CB 3.39Å; T247-S251 PolarHBondContact O-N 3.46Å; D248-S251 CarbonylContact O-C 3.56Å; D248-S251 WeakPolarHBondContact O-CA 3.4Å; D248-S251 VanDerWaalsContact O-CB 3.28Å; D248-S251 WeakPolarHBondContact O-CB 3.47Å; D248-S251 PolarHBondContact O-N 2.99Å; D248-S251 VanDerWaalsContact O-N 3.08Å; L249-S251 VanDerWaalsContact C-N 3.3Å; L249-S251 PolarHBondContact O-N 2.82Å; S251-Q254 PolarHBondContact O-N 2.72Å; S251-N255 PolarHBondContact O-N 2.55Å; S251-N255 PolarHBondContact O-ND2 3.25Å
252V93.6Very high92.4Very high0 Ų026.9 Ų26.90%012%0.119CC..Hα-helixtrans-58.8-49.8174.21750000110.2V203 D248 L249 Q254 N255 V256 A268 V325 I331V203-V252 HydrophobicContact CG1-CG1 4.25Å; D248-V252 WeakPolarHBondContact O-CG2 3.46Å; D248-V252 PolarHBondContact O-N 2.87Å; L249-V252 PolarHBondContact O-N 2.78Å; V252-Q254 VanDerWaalsContact C-N 3.32Å; V252-Q254 PolarHBondContact O-N 3.06Å; V252-N255 PolarHBondContact O-N 3.23Å; V252-N255 VanDerWaalsContact O-N 3.14Å; V252-V256 WeakPolarHBondContact O-CG2 3.5Å; V252-V256 PolarHBondContact O-N 2.94Å; V252-A268 HydrophobicContact CG1-CB 4.36Å; V252-A268 HydrophobicContact CG2-CB 4.47Å; V252-V325 HydrophobicContact CG1-CG2 4.16Å; V252-V325 HydrophobicContact CG2-CG1 3.86Å; V252-I331 HydrophobicContact CB-CD1 4.49Å; V252-I331 HydrophobicContact CG2-CD1 3.63Å
253V93.8Very high92.3Very high0 Ų028.3 Ų28.30%013%0.128CC..Hα-helixtrans-59.1-43.3178.5172.10000111.3I106 I140 I142 L249 A250 N255 V256 I257I106-V253 HydrophobicContact CD1-CG1 3.78Å; I140-V253 HydrophobicContact CD1-CG1 4.15Å; I142-V253 HydrophobicContact CD1-CG2 3.99Å; I142-V253 HydrophobicContact CG1-CG2 4.19Å; L249-V253 WeakPolarHBondContact O-CG2 3.34Å; L249-V253 PolarHBondContact O-N 2.98Å; A250-V253 PolarHBondContact O-N 2.97Å; V253-N255 PolarHBondContact O-N 2.88Å; V253-V256 PolarHBondContact O-N 3Å; V253-I257 HydrophobicContact CG1-CD1 4.15Å; V253-I257 VanDerWaalsContact O-CG1 3.29Å; V253-I257 WeakPolarHBondContact O-CG1 3.41Å; V253-I257 PolarHBondContact O-N 3.36Å
254Q91Very high92.1Very high10 Ų1030.9 Ų30.95%0.04714%0.138CC..Hα-helixtrans-62.1-42.7176.2-174.917650.100112.1R32 A250 S251 V252 V256 I257 Q258R32-Q254 VanDerWaalsContact CD-OE1 3.31Å; A250-Q254 WeakPolarHBondContact O-CB 3.43Å; A250-Q254 PolarHBondContact O-N 3.36Å; S251-Q254 PolarHBondContact O-N 2.72Å; V252-Q254 VanDerWaalsContact C-N 3.32Å; V252-Q254 PolarHBondContact O-N 3.06Å; Q254-V256 VanDerWaalsContact C-N 3.35Å; Q254-I257 WeakPolarHBondContact O-CB 3.5Å; Q254-I257 PolarHBondContact O-N 3.13Å; Q254-Q258 WeakPolarHBondContact O-CG 3.47Å; Q254-Q258 PolarHBondContact O-N 2.93Å
255N91.3Very high92.1Very high11 Ų1131 Ų316%0.05914%0.138CC..Hα-helixtrans-65.3-36.9177-78.2-57.6000112.2S251 V252 V253 I257 Q258 H259 F329S251-N255 PolarHBondContact O-N 2.55Å; S251-N255 PolarHBondContact O-ND2 3.25Å; V252-N255 PolarHBondContact O-N 3.23Å; V252-N255 VanDerWaalsContact O-N 3.14Å; V253-N255 PolarHBondContact O-N 2.88Å; N255-I257 VanDerWaalsContact C-N 3.34Å; N255-I257 PolarHBondContact O-N 3.25Å; N255-Q258 PolarHBondContact O-N 2.91Å; N255-H259 WeakPolarHBondContact O-CB 3.42Å; N255-H259 PolarHBondContact O-CD2 2.99Å; N255-H259 PolarHBondContact O-N 3.35Å; N255-F329 HydrophobicContact CB-CB 4.32Å; N255-F329 HydrophobicContact CB-CD1 3.79Å; N255-F329 HydrophobicContact CB-CD2 4.12Å; N255-F329 HydrophobicContact CB-CE1 4.03Å; N255-F329 HydrophobicContact CB-CE2 4.32Å; N255-F329 HydrophobicContact CB-CG 3.82Å; N255-F329 HydrophobicContact CB-CZ 4.25Å
256V92.4Very high92.1Very high0 Ų031 Ų310%014%0.138CC..Hα-helixtrans-60.2-43.6171.9173.70000111.1I140 Y201 V203 V252 V253 Q254 Q258 Q260 P261 L266 F329I140-V256 HydrophobicContact CD1-CB 4.27Å; I140-V256 HydrophobicContact CD1-CG1 3.82Å; I140-V256 HydrophobicContact CG1-CG1 4.27Å; Y201-V256 HydrophobicContact CD1-CG1 4.09Å; Y201-V256 HydrophobicContact CD2-CG1 3.57Å; Y201-V256 HydrophobicContact CE2-CG1 4.06Å; Y201-V256 HydrophobicContact CG-CG1 3.58Å; V203-V256 HydrophobicContact CG2-CG2 4.46Å; V252-V256 WeakPolarHBondContact O-CG2 3.5Å; V252-V256 PolarHBondContact O-N 2.94Å; V253-V256 PolarHBondContact O-N 3Å; Q254-V256 VanDerWaalsContact C-N 3.35Å; V256-Q258 VanDerWaalsContact C-N 3.31Å; V256-Q258 PolarHBondContact O-N 2.88Å; V256-Q260 WeakPolarHBondContact O-CA 3.44Å; V256-Q260 PolarHBondContact O-N 3.12Å; V256-P261 HydrophobicContact CG2-CG 4.45Å; V256-L266 HydrophobicContact CG2-CD1 3.4Å; V256-F329 HydrophobicContact CG2-CE2 4.08Å; V256-F329 HydrophobicContact CG2-CZ 3.83Å
257I91.1Very high92.1Very high1 Ų131 Ų311%0.00514%0.138CC..Hα-helixtrans-62.7-38177.5-65.2164.7000111.7F66 V104 I106 I140 V253 Q254 N255F66-I257 HydrophobicContact CE1-CG2 4.01Å; F66-I257 HydrophobicContact CZ-CG2 4.19Å; V104-I257 HydrophobicContact CG1-CD1 3.83Å; V104-I257 HydrophobicContact CG1-CG1 3.84Å; V104-I257 HydrophobicContact CG2-CG2 3.9Å; I106-I257 HydrophobicContact CD1-CD1 4.19Å; I140-I257 HydrophobicContact CD1-CD1 4.21Å; I140-I257 HydrophobicContact CD1-CG1 3.5Å; I140-I257 VanDerWaalsContact CD1-CG1 3.5Å; V253-I257 HydrophobicContact CG1-CD1 4.15Å; V253-I257 VanDerWaalsContact O-CG1 3.29Å; V253-I257 WeakPolarHBondContact O-CG1 3.41Å; V253-I257 PolarHBondContact O-N 3.36Å; Q254-I257 WeakPolarHBondContact O-CB 3.5Å; Q254-I257 PolarHBondContact O-N 3.13Å; N255-I257 VanDerWaalsContact C-N 3.34Å; N255-I257 PolarHBondContact O-N 3.25Å
258Q88.8Confident92.2Very high105 Ų10530.3 Ų30.349%0.49113%0.134SC..Hα-helixtrans-80.5-46.5-175.9-70.2-178.31700112.9Q254 N255 V256Q254-Q258 WeakPolarHBondContact O-CG 3.47Å; Q254-Q258 PolarHBondContact O-N 2.93Å; N255-Q258 PolarHBondContact O-N 2.91Å; V256-Q258 VanDerWaalsContact C-N 3.31Å; V256-Q258 PolarHBondContact O-N 2.88Å
259H88.4Confident92.3Very high112 Ų11230.4 Ų30.452%0.51914%0.135SC..Hα-helixtrans-98.9-21-169.6-64.4-66.7000114.1N255 F329N255-H259 WeakPolarHBondContact O-CB 3.42Å; N255-H259 PolarHBondContact O-CD2 2.99Å; N255-H259 PolarHBondContact O-N 3.35Å; H259-F329 HydrophobicContact CB-CD1 4.39Å; H259-F329 HydrophobicContact CB-CE1 3.93Å; H259-F329 AromaticContact CD2-CD1 3.88Å
260Q90.7Very high92.2Very high82 Ų8230.6 Ų30.638%0.38314%0.136SC..  trans4962.8-180-62.8179.516.700112.7I138 R195 Y201 V256I138-Q260 HydrophobicContact CD1-CG 4.09Å; I138-Q260 VanDerWaalsContact CD1-NE2 3.34Å; R195-Q260 PolarHBondContact NH2-O 2.83Å; R195-Q260 VanDerWaalsContact NH2-O 3.13Å; Y201-Q260 VanDerWaalsContact OH-CA 3.25Å; Y201-Q260 WeakPolarHBondContact OH-CA 3.37Å; Y201-Q260 WeakPolarHBondContact OH-CB 3.24Å; Y201-Q260 PolarHBondContact OH-O 3.15Å; V256-Q260 WeakPolarHBondContact O-CA 3.44Å; V256-Q260 PolarHBondContact O-N 3.12Å
261P91.1Very high92Very high10 Ų1034.4 Ų34.47%0.06516%0.156CC..  trans-58.8154.8-171.429.7-40.3000112.6R195 Y201 V256 P263 L266 L328 F329R195-P261 VanDerWaalsContact NH2-C 3.27Å; R195-P261 PolarHBondContact NH2-O 2.88Å; Y201-P261 HydrophobicContact CD1-CG 4.31Å; Y201-P261 HydrophobicContact CE1-CG 3.84Å; Y201-P261 VanDerWaalsContact CE1-O 3.22Å; Y201-P261 WeakPolarHBondContact CE1-O 3.31Å; Y201-P261 PolarHBondContact OH-O 3.3Å; Y201-P261 VanDerWaalsContact OH-O 3.14Å; V256-P261 HydrophobicContact CG2-CG 4.45Å; P261-P263 HydrophobicContact CB-CG 4.41Å; P261-L266 HydrophobicContact CG-CD1 3.98Å; P261-L328 HydrophobicContact CB-CD1 3.78Å; P261-F329 HydrophobicContact CB-CE1 4.29Å; P261-F329 HydrophobicContact CB-CZ 4.09Å; P261-F329 HydrophobicContact CG-CE1 4.32Å; P261-F329 HydrophobicContact CG-CZ 3.78Å
262R89.4Confident91.7Very high215 Ų21534.8 Ų34.881%0.81116%0.159SC*.SBendtrans-60.4-48.2178.1-75.2-169.1178.4-176.41.5114.9R195R195-R262 PolarHBondContact NH1-O 3.45Å
263P91.4Very high91.6Very high33 Ų3338.5 Ų38.521%0.21418%0.179CC..  trans-62.6140.7177.323.7-34.4000112Y201 P261 L266 N324 L328Y201-P263 WeakPolarHBondContact CE1-O 3.26Å; P261-P263 HydrophobicContact CB-CG 4.41Å; P263-L266 HydrophobicContact CB-CD2 4.43Å; P263-L266 HydrophobicContact CG-CD2 3.81Å; P263-N324 HydrophobicContact CG-CB 4.33Å; P263-L328 HydrophobicContact CG-CD1 3.58Å
264Y91.5Very high91.5Very high54 Ų5439.7 Ų39.721%0.21219%0.185CC..SBendtrans-84.9-18.6176.2-62.8-79.5000112.7G191 K192 T200 Y201 V202G191-Y264 PolarHBondContact O-OH 2.92Å; K192-Y264 HydrophobicContact CG-CE2 4.14Å; T200-Y264 WeakPolarHBondContact O-CD1 3.3Å; Y201-Y264 CarbonylContact C-O 3.55Å; Y201-Y264 WeakPolarHBondContact CA-O 3.47Å; V202-Y264 PolarHBondContact N-O 3.01Å
265Y94.5Very high91.7Very high3 Ų340 Ų401%0.01219%0.188CC..EExtended strand (participates in β ladder)trans-122129.5-177.8-173.2-81.2000107.9W148 D165 F168 V202 A204W148-Y265 HydrophobicContact CZ2-CE1 4.12Å; W148-Y265 AromaticContact NE1-CZ 3.81Å; W148-Y265 PolarHBondContact NE1-OH 3.13Å; D165-Y265 HydrophobicContact CB-CD1 4.16Å; D165-Y265 HydrophobicContact CB-CE1 4.36Å; F168-Y265 HydrophobicContact CB-CD1 3.65Å; F168-Y265 HydrophobicContact CB-CD2 4.46Å; F168-Y265 HydrophobicContact CB-CE1 3.79Å; F168-Y265 HydrophobicContact CB-CG 4.03Å; F168-Y265 HydrophobicContact CD1-CG 4.47Å; F168-Y265 HydrophobicContact CD2-CD1 4.03Å; F168-Y265 AromaticContact CD2-CD2 3.61Å; F168-Y265 HydrophobicContact CD2-CD2 3.61Å; F168-Y265 HydrophobicContact CD2-CE2 4.25Å; F168-Y265 AromaticContact CD2-CG 3.47Å; F168-Y265 HydrophobicContact CD2-CG 3.47Å; F168-Y265 VanDerWaalsContact CD2-CG 3.47Å; F168-Y265 HydrophobicContact CE2-CD2 4.22Å; F168-Y265 HydrophobicContact CE2-CG 4.08Å; F168-Y265 AromaticContact CG-CD1 3.82Å; F168-Y265 HydrophobicContact CG-CD1 3.82Å; F168-Y265 HydrophobicContact CG-CD2 4.26Å; F168-Y265 HydrophobicContact CG-CE1 4.42Å; F168-Y265 AromaticContact CG-CG 3.75Å; F168-Y265 HydrophobicContact CG-CG 3.75Å; V202-Y265 HydrophobicContact CB-CD2 3.86Å; V202-Y265 HydrophobicContact CB-CE2 4.42Å; V202-Y265 HydrophobicContact CG1-CD2 3.64Å; V202-Y265 HydrophobicContact CG1-CE2 3.69Å; V202-Y265 CarbonylContact O-C 3.55Å; V202-Y265 WeakPolarHBondContact O-CA 3.42Å; A204-Y265 HydrophobicContact CB-CE1 4.28Å; A204-Y265 HydrophobicContact CB-CE2 4.28Å; A204-Y265 WeakPolarHBondContact CB-OH 3.42Å
266L94.9Very high91.8Very high0 Ų039.9 Ų39.90%019%0.187CC..EExtended strand (participates in β ladder)trans-131.2135.3-179.3-64168.1000108V202 V203 A204 V256 P261 P263 N324 V325 L328 F329V202-L266 PolarHBondContact O-N 3.23Å; V203-L266 CarbonylContact C-O 3.44Å; V203-L266 WeakPolarHBondContact CA-O 3.49Å; V203-L266 HydrophobicContact CG2-CD1 4.46Å; A204-L266 PolarHBondContact N-O 2.67Å; V256-L266 HydrophobicContact CG2-CD1 3.4Å; P261-L266 HydrophobicContact CG-CD1 3.98Å; P263-L266 HydrophobicContact CB-CD2 4.43Å; P263-L266 HydrophobicContact CG-CD2 3.81Å; L266-N324 HydrophobicContact CD2-CB 3.79Å; L266-V325 HydrophobicContact CB-CG2 4.42Å; L266-L328 HydrophobicContact CD2-CD1 4.5Å; L266-F329 HydrophobicContact CD1-CE2 4.37Å; L266-F329 HydrophobicContact CD1-CZ 4.49Å
267L95.1Very high91.9Very high0 Ų042.1 Ų42.10%020%0.198CC..EExtended strand (participates in β ladder)trans-93.5133169.9-175.666.7000109V145 D165 A204 V269 M320 A322 V325V145-L267 HydrophobicContact CG1-CD1 3.88Å; D165-L267 HydrophobicContact CB-CB 3.78Å; D165-L267 PolarHBondContact OD2-N 3.27Å; A204-L267 HydrophobicContact CB-CD1 4.23Å; L267-V269 HydrophobicContact CD1-CG1 4.09Å; L267-V269 HydrophobicContact CD2-CG2 4.17Å; L267-V269 HydrophobicContact CG-CG1 4.09Å; L267-V269 HydrophobicContact CG-CG2 4.14Å; L267-M320 HydrophobicContact CD1-CE 4.47Å; L267-M320 HydrophobicContact CD1-SD 3.92Å; L267-M320 HydrophobicContact CD2-CB 3.89Å; L267-M320 HydrophobicContact CD2-CG 4.12Å; L267-M320 HydrophobicContact CD2-SD 4.17Å; L267-A322 WeakPolarHBondContact O-CB 3.38Å; L267-V325 WeakPolarHBondContact O-CG2 3.36Å
268A94.9Very high92Very high0 Ų046.5 Ų46.50%022%0.218CC..EExtended strand (participates in β ladder)trans-122.191.9178.600000108.5V203 A204 S205 G206 I244 L249 V252V203-A268 HydrophobicContact CG1-CB 3.74Å; A204-A268 PolarHBondContact O-N 2.84Å; S205-A268 CarbonylContact C-O 3.56Å; S205-A268 WeakPolarHBondContact CA-O 3.44Å; G206-A268 PolarHBondContact N-O 3.09Å; I244-A268 HydrophobicContact CD1-CB 3.68Å; I244-A268 WeakPolarHBondContact CD1-O 3.29Å; L249-A268 HydrophobicContact CD1-CB 4.04Å; V252-A268 HydrophobicContact CG1-CB 4.36Å; V252-A268 HydrophobicContact CG2-CB 4.47Å
269V94.1Very high92.3Very high3 Ų341.5 Ų41.52%0.01820%0.195CC..  trans-130.2153.9175-64.40000108.4V145 P242 T243 L267 M320 A322V145-V269 HydrophobicContact CG1-CG1 4.23Å; P242-V269 HydrophobicContact CB-CG1 3.98Å; T243-V269 CarbonylContact O-C 3.16Å; T243-V269 WeakPolarHBondContact O-CA 3.32Å; L267-V269 HydrophobicContact CD1-CG1 4.09Å; L267-V269 HydrophobicContact CD2-CG2 4.17Å; L267-V269 HydrophobicContact CG-CG1 4.09Å; L267-V269 HydrophobicContact CG-CG2 4.14Å; V269-M320 HydrophobicContact CG1-CB 4.29Å; V269-M320 HydrophobicContact CG2-CB 4.1Å; V269-A322 HydrophobicContact CG2-CB 3.97Å
270D92.3Very high92.5Very high4 Ų436.2 Ų36.22%0.02117%0.17CC..  trans-73.4172.4167.756.435.6000111.1Y209 T243 S272 G338Y209-D270 WeakPolarHBondContact CE1-OD2 3.12Å; Y209-D270 PolarHBondContact OH-OD2 3.43Å; Y209-D270 VanDerWaalsContact OH-OD2 3.04Å; T243-D270 VanDerWaalsContact C-OD2 3.31Å; T243-D270 PolarHBondContact O-N 3.21Å; T243-D270 PolarHBondContact OG1-OD1 2.84Å; T243-D270 PolarHBondContact OG1-OD2 3.31Å; D270-S272 VanDerWaalsContact CG-OG 3.3Å; D270-S272 PolarHBondContact O-N 3.47Å; D270-S272 WeakPolarHBondContact OD1-CB 3.24Å; D270-S272 PolarHBondContact OD1-N 3.28Å; D270-S272 PolarHBondContact OD1-OG 2.97Å; D270-G338 WeakPolarHBondContact OD2-CA 3.41Å
271L88.8Confident92.6Very high79 Ų7936.4 Ų36.441%0.41417%0.17SC..SBendtrans-795.3178.8-67.3176.2000112.6E326 E336L271-E326 VanDerWaalsContact CD2-OE1 3.23Å; L271-E326 WeakPolarHBondContact CD2-OE1 3.33Å; L271-E336 WeakPolarHBondContact CB-O 3.49Å; L271-E336 HydrophobicContact CD1-CG 3.76Å; L271-E336 HydrophobicContact CG-CG 4.47Å; L271-E336 PolarHBondContact N-O 2.81Å
272S87.9Confident92.7Very high9 Ų937.8 Ų37.86%0.06318%0.176CC..  trans-88.3139.4-173.4880000111.1T243 D270 N274 S337T243-S272 PolarHBondContact OG1-OG 3.33Å; D270-S272 VanDerWaalsContact CG-OG 3.3Å; D270-S272 PolarHBondContact O-N 3.47Å; D270-S272 WeakPolarHBondContact OD1-CB 3.24Å; D270-S272 PolarHBondContact OD1-N 3.28Å; D270-S272 PolarHBondContact OD1-OG 2.97Å; S272-N274 VanDerWaalsContact CB-ND2 3.27Å; S272-N274 WeakPolarHBondContact CB-ND2 3.47Å; S272-N274 PolarHBondContact OG-ND2 2.96Å; S272-N274 VanDerWaalsContact OG-ND2 3.16Å; S272-S337 VanDerWaalsContact CB-O 3.25Å; S272-S337 WeakPolarHBondContact CB-O 3.36Å
273N89.5Confident92.8Very high78 Ų7827.6 Ų27.642%0.41714%0.138SC..  trans-120.747.9176.4-72-71.5000109.6I240I240-N273 HydrophobicContact CG2-CB 4.21Å
274N93.4Very high92.8Very high24 Ų2426 Ų2613%0.12813%0.128CC..  trans-73.9140.1-174.3-63.7-46.5000111.1I241 S272 L279 V340I241-N274 PolarHBondContact N-O 3.15Å; S272-N274 VanDerWaalsContact CB-ND2 3.27Å; S272-N274 WeakPolarHBondContact CB-ND2 3.47Å; S272-N274 PolarHBondContact OG-ND2 2.96Å; S272-N274 VanDerWaalsContact OG-ND2 3.16Å; N274-L279 HydrophobicContact CB-CD1 4.45Å; N274-L279 HydrophobicContact CB-CD2 3.9Å; N274-L279 HydrophobicContact CB-CG 3.96Å; N274-V340 HydrophobicContact CB-CG2 3.97Å; N274-V340 WeakPolarHBondContact ND2-CG2 3.26Å
275S94.3Very high92.7Very high16 Ų1626.7 Ų26.711%0.11214%0.138CC..BIsolated β-bridgetrans-76.5156.8171.464.10000111.4G237 N239 E277 E278 L279G237-S275 WeakPolarHBondContact O-CB 3.48Å; N239-S275 CarbonylContact O-C 3.55Å; N239-S275 WeakPolarHBondContact O-CA 3.29Å; S275-E277 PolarHBondContact O-N 2.91Å; S275-E278 PolarHBondContact N-OE2 2.86Å; S275-E278 PolarHBondContact O-N 3Å; S275-E278 WeakPolarHBondContact OG-CB 3.39Å; S275-E278 WeakPolarHBondContact OG-CG 3.39Å; S275-E278 PolarHBondContact OG-N 2.8Å; S275-E278 PolarHBondContact OG-OE2 3.21Å; S275-L279 WeakPolarHBondContact O-CG 3.33Å; S275-L279 PolarHBondContact O-N 3.22Å
276M93.7Very high92.3Very high9 Ų927.2 Ų27.24%0.04414%0.141CC..Hα-helixtrans-57.9-37.5174.2-176.257-179.100112F219 G237 N239 I241 L279 V280 L314F219-M276 HydrophobicContact CD2-CE 4.41Å; F219-M276 HydrophobicContact CE1-CE 4.11Å; F219-M276 HydrophobicContact CE2-CE 3.43Å; F219-M276 VanDerWaalsContact CE2-CE 3.43Å; F219-M276 HydrophobicContact CZ-CE 3.24Å; G237-M276 PolarHBondContact O-N 2.84Å; N239-M276 PolarHBondContact O-N 3.09Å; N239-M276 VanDerWaalsContact OD1-CB 3.26Å; N239-M276 WeakPolarHBondContact OD1-CB 3.44Å; I241-M276 HydrophobicContact CD1-CB 3.81Å; I241-M276 HydrophobicContact CD1-CG 4.03Å; I241-M276 HydrophobicContact CD1-SD 3.31Å; I241-M276 WeakPolarHBondContact CD1-SD 3.19Å; I241-M276 HydrophobicContact CG1-CB 4.45Å; M276-L279 PolarHBondContact O-N 2.85Å; M276-V280 HydrophobicContact CE-CG2 3.57Å; M276-V280 WeakPolarHBondContact O-CG2 3.46Å; M276-V280 PolarHBondContact O-N 3.45Å; M276-V280 HydrophobicContact SD-CG2 4.1Å; M276-L314 HydrophobicContact CE-CD1 4.43Å; M276-L314 HydrophobicContact CE-CD2 3.9Å; M276-L314 HydrophobicContact SD-CD2 4.2Å
277E94Very high91.9Very high47 Ų4727.4 Ų27.422%0.2214%0.142CC..Hα-helixtrans-61.5-47.5176175.2170.2-167.300112.1I233 G237 S275 V280 K281I233-E277 HydrophobicContact CD1-CB 4.48Å; I233-E277 HydrophobicContact CD1-CG 4.04Å; G237-E277 WeakPolarHBondContact O-CB 3.47Å; G237-E277 PolarHBondContact O-N 2.99Å; S275-E277 PolarHBondContact O-N 2.91Å; E277-V280 PolarHBondContact O-N 2.93Å; E277-K281 HydrophobicContact CG-CD 3.81Å; E277-K281 HydrophobicContact CG-CG 4.42Å; E277-K281 VanDerWaalsContact O-CB 3.26Å; E277-K281 WeakPolarHBondContact O-CB 3.47Å; E277-K281 VanDerWaalsContact O-CG 3.24Å; E277-K281 WeakPolarHBondContact O-CG 3.11Å; E277-K281 PolarHBondContact O-N 3.35Å; E277-K281 VanDerWaalsContact OE1-CE 3.23Å; E277-K281 WeakPolarHBondContact OE1-CE 3.37Å; E277-K281 IonicContact OE1-NZ 3.47Å; E277-K281 PolarHBondContact OE1-NZ 3.25Å
278E94.3Very high91.2Very high94 Ų9427.7 Ų27.744%0.43915%0.145SC..Hα-helixtrans-62.7-43.1177.7-73.6159163.700111.8S275 K281 I282S275-E278 PolarHBondContact N-OE2 2.86Å; S275-E278 PolarHBondContact O-N 3Å; S275-E278 WeakPolarHBondContact OG-CB 3.39Å; S275-E278 WeakPolarHBondContact OG-CG 3.39Å; S275-E278 PolarHBondContact OG-N 2.8Å; S275-E278 PolarHBondContact OG-OE2 3.21Å; E278-K281 PolarHBondContact O-N 3Å; E278-I282 WeakPolarHBondContact O-CG2 3.47Å; E278-I282 PolarHBondContact O-N 3.28Å
279L93.6Very high90.2Very high0 Ų029.3 Ų29.30%016%0.156CC..Hα-helixtrans-62-45.7177.9-67169.2000111.7F216 I241 N274 S275 M276 I282 I283 L339 V340F216-L279 HydrophobicContact CE1-CD1 4.26Å; F216-L279 HydrophobicContact CZ-CD1 4.14Å; I241-L279 HydrophobicContact CB-CD1 4.12Å; I241-L279 HydrophobicContact CD1-CD1 4.29Å; N274-L279 HydrophobicContact CB-CD1 4.45Å; N274-L279 HydrophobicContact CB-CD2 3.9Å; N274-L279 HydrophobicContact CB-CG 3.96Å; S275-L279 WeakPolarHBondContact O-CG 3.33Å; S275-L279 PolarHBondContact O-N 3.22Å; M276-L279 PolarHBondContact O-N 2.85Å; L279-I282 VanDerWaalsContact O-CG2 3.28Å; L279-I282 WeakPolarHBondContact O-CG2 3.12Å; L279-I283 VanDerWaalsContact O-CD1 3.27Å; L279-I283 WeakPolarHBondContact O-CD1 3.41Å; L279-I283 WeakPolarHBondContact O-CG1 3.04Å; L279-I283 PolarHBondContact O-N 3.38Å; L279-L339 HydrophobicContact CD2-CB 3.99Å; L279-L339 HydrophobicContact CD2-CD2 3.95Å; L279-L339 HydrophobicContact CD2-CG 4.31Å; L279-V340 HydrophobicContact CD2-CG2 3.87Å
280V93.5Very high89.6Confident1 Ų130.8 Ų30.81%0.00617%0.171CC..Hα-helixtrans-71.4-38.7179.2176.70000111.3F219 I231 I233 M276 E277 I283 A284 T292F219-V280 HydrophobicContact CD1-CG1 4.15Å; F219-V280 HydrophobicContact CD1-CG2 3.94Å; F219-V280 HydrophobicContact CE1-CG1 4.5Å; F219-V280 HydrophobicContact CE1-CG2 3.89Å; F219-V280 HydrophobicContact CG-CG2 4.28Å; F219-V280 HydrophobicContact CZ-CG2 4.2Å; I231-V280 HydrophobicContact CG2-CG1 3.8Å; I233-V280 HydrophobicContact CD1-CB 4.48Å; I233-V280 HydrophobicContact CD1-CG1 4.44Å; I233-V280 HydrophobicContact CG1-CB 3.98Å; I233-V280 HydrophobicContact CG1-CG1 3.69Å; M276-V280 HydrophobicContact CE-CG2 3.57Å; M276-V280 WeakPolarHBondContact O-CG2 3.46Å; M276-V280 PolarHBondContact O-N 3.45Å; M276-V280 HydrophobicContact SD-CG2 4.1Å; E277-V280 PolarHBondContact O-N 2.93Å; V280-I283 PolarHBondContact O-N 3.39Å; V280-A284 VanDerWaalsContact O-CB 3.32Å; V280-A284 WeakPolarHBondContact O-CB 3.16Å; V280-A284 PolarHBondContact O-N 3.46Å; V280-T292 HydrophobicContact CG1-CG2 4.5Å
281K92.8Very high89.3Confident85 Ų8535.5 Ų35.537%0.3720%0.196SC..Hα-helixtrans-61.6-47.1176.9-80.5176.1171.5177.40112.1I233 E277 E278 I283 A284 T285 T292I233-K281 HydrophobicContact CD1-CG 4.28Å; E277-K281 HydrophobicContact CG-CD 3.81Å; E277-K281 HydrophobicContact CG-CG 4.42Å; E277-K281 VanDerWaalsContact O-CB 3.26Å; E277-K281 WeakPolarHBondContact O-CB 3.47Å; E277-K281 VanDerWaalsContact O-CG 3.24Å; E277-K281 WeakPolarHBondContact O-CG 3.11Å; E277-K281 PolarHBondContact O-N 3.35Å; E277-K281 VanDerWaalsContact OE1-CE 3.23Å; E277-K281 WeakPolarHBondContact OE1-CE 3.37Å; E277-K281 IonicContact OE1-NZ 3.47Å; E277-K281 PolarHBondContact OE1-NZ 3.25Å; E278-K281 PolarHBondContact O-N 3Å; K281-I283 VanDerWaalsContact C-N 3.32Å; K281-I283 PolarHBondContact O-N 3.11Å; K281-A284 PolarHBondContact O-N 3Å; K281-T285 WeakPolarHBondContact O-CB 3.2Å; K281-T285 PolarHBondContact O-N 3.19Å; K281-T285 PolarHBondContact O-OG1 3.45Å; K281-T292 HydrophobicContact CB-CG2 4.48Å; K281-T292 HydrophobicContact CG-CG2 3.81Å
282I92.9Very high89.4Confident39 Ų3933.5 Ų33.520%0.219%0.188CC..Hα-helixtrans-64.8-39.6-179.5-163.467.6000111.2E278 L279 T285 V286 V340 V343E278-I282 WeakPolarHBondContact O-CG2 3.47Å; E278-I282 PolarHBondContact O-N 3.28Å; L279-I282 VanDerWaalsContact O-CG2 3.28Å; L279-I282 WeakPolarHBondContact O-CG2 3.12Å; I282-T285 PolarHBondContact O-N 3.39Å; I282-V286 HydrophobicContact CD1-CG2 4.26Å; I282-V286 HydrophobicContact CG1-CG2 4.34Å; I282-V286 WeakPolarHBondContact O-CB 3.29Å; I282-V286 WeakPolarHBondContact O-CG2 3.13Å; I282-V286 PolarHBondContact O-N 2.94Å; I282-V340 HydrophobicContact CB-CG1 4.44Å; I282-V340 HydrophobicContact CG1-CG1 4.31Å; I282-V340 HydrophobicContact CG2-CG2 4.13Å; I282-V343 HydrophobicContact CD1-CG1 4.27Å; I282-V343 HydrophobicContact CG1-CB 4.04Å; I282-V343 HydrophobicContact CG1-CG1 3.77Å; I282-V343 HydrophobicContact CG1-CG2 4.15Å
283I91.6Very high89.6Confident1 Ų136.6 Ų36.61%0.00521%0.206CC..Hα-helixtrans-62.5-45.9174.3-65.4164.8000110.1F219 F220 L279 V280 K281 T285 V286 V287 L339F219-I283 HydrophobicContact CB-CD1 4.32Å; F219-I283 HydrophobicContact CB-CG2 4.32Å; F220-I283 HydrophobicContact CD2-CD1 3.88Å; F220-I283 HydrophobicContact CD2-CG1 4.19Å; F220-I283 HydrophobicContact CD2-CG2 3.92Å; F220-I283 HydrophobicContact CE2-CD1 3.48Å; F220-I283 VanDerWaalsContact CE2-CD1 3.48Å; F220-I283 HydrophobicContact CE2-CG1 3.62Å; F220-I283 HydrophobicContact CE2-CG2 4.13Å; F220-I283 HydrophobicContact CG-CG2 4.26Å; F220-I283 HydrophobicContact CZ-CD1 4.43Å; F220-I283 HydrophobicContact CZ-CG1 4.11Å; L279-I283 VanDerWaalsContact O-CD1 3.27Å; L279-I283 WeakPolarHBondContact O-CD1 3.41Å; L279-I283 WeakPolarHBondContact O-CG1 3.04Å; L279-I283 PolarHBondContact O-N 3.38Å; V280-I283 PolarHBondContact O-N 3.39Å; K281-I283 VanDerWaalsContact C-N 3.32Å; K281-I283 PolarHBondContact O-N 3.11Å; I283-T285 VanDerWaalsContact C-N 3.31Å; I283-T285 PolarHBondContact O-N 3.37Å; I283-V286 PolarHBondContact O-N 2.79Å; I283-V287 HydrophobicContact CG2-CB 4.43Å; I283-V287 HydrophobicContact CG2-CG2 4.28Å; I283-V287 WeakPolarHBondContact O-CA 3.12Å; I283-V287 VanDerWaalsContact O-CB 3.27Å; I283-V287 WeakPolarHBondContact O-CB 3.36Å; I283-V287 PolarHBondContact O-N 3.02Å; I283-L339 HydrophobicContact CD1-CD2 4.41Å
284A90.8Very high89.6Confident0 Ų037.4 Ų37.40%021%0.21CC..Hα-helixtrans-62.5-38.2179.200000112.1I231 V280 K281 G288 G290 T292I231-A284 HydrophobicContact CB-CB 4.09Å; I231-A284 HydrophobicContact CG1-CB 3.8Å; V280-A284 VanDerWaalsContact O-CB 3.32Å; V280-A284 WeakPolarHBondContact O-CB 3.16Å; V280-A284 PolarHBondContact O-N 3.46Å; K281-A284 PolarHBondContact O-N 3Å; A284-G288 CarbonylContact O-C 3.44Å; A284-G288 WeakPolarHBondContact O-CA 3.46Å; A284-G288 PolarHBondContact O-N 3.39Å; A284-G290 WeakPolarHBondContact O-CA 3.39Å; A284-G290 PolarHBondContact O-N 3.04Å; A284-T292 HydrophobicContact CB-CG2 3.73Å
285T89.1Confident89.5Confident69 Ų6941.6 Ų41.642%0.42322%0.224SC..Hα-helixtrans-70.5-44.9178-590000112.7K281 I282 I283 N452K281-T285 WeakPolarHBondContact O-CB 3.2Å; K281-T285 PolarHBondContact O-N 3.19Å; K281-T285 PolarHBondContact O-OG1 3.45Å; I282-T285 PolarHBondContact O-N 3.39Å; I283-T285 VanDerWaalsContact C-N 3.31Å; I283-T285 PolarHBondContact O-N 3.37Å; T285-N452 PolarHBondContact O-ND2 2.86Å
286V87.4Confident89.3Confident14 Ų1444.3 Ų44.39%0.08524%0.242CC..Hα-helixtrans-86.6-34.3-173.3-1790000112.7I282 I283 V343 V347 N452 N456I282-V286 HydrophobicContact CD1-CG2 4.26Å; I282-V286 HydrophobicContact CG1-CG2 4.34Å; I282-V286 WeakPolarHBondContact O-CB 3.29Å; I282-V286 WeakPolarHBondContact O-CG2 3.13Å; I282-V286 PolarHBondContact O-N 2.94Å; I283-V286 PolarHBondContact O-N 2.79Å; V286-V343 HydrophobicContact CB-CG1 4.47Å; V286-V343 HydrophobicContact CB-CG2 4.08Å; V286-V343 HydrophobicContact CG1-CG1 4.47Å; V286-V343 HydrophobicContact CG1-CG2 4.24Å; V286-V343 HydrophobicContact CG2-CG1 3.75Å; V286-V343 HydrophobicContact CG2-CG2 4.15Å; V286-V347 HydrophobicContact CG1-CG2 3.97Å; V286-N452 VanDerWaalsContact O-CB 3.28Å; V286-N452 WeakPolarHBondContact O-CB 3.47Å; V286-N456 PolarHBondContact O-ND2 3.38Å
287V85.4Confident89Confident4 Ų445.7 Ų45.72%0.02425%0.248CC..Hα-helixtrans-98.5-40.3-178-174.60000111.9F220 W224 I283 V347 N456F220-V287 HydrophobicContact CD1-CG2 4.05Å; F220-V287 HydrophobicContact CE1-CG2 4.04Å; W224-V287 HydrophobicContact CB-CG1 4.12Å; W224-V287 HydrophobicContact CE3-CG1 3.82Å; I283-V287 HydrophobicContact CG2-CB 4.43Å; I283-V287 HydrophobicContact CG2-CG2 4.28Å; I283-V287 WeakPolarHBondContact O-CA 3.12Å; I283-V287 VanDerWaalsContact O-CB 3.27Å; I283-V287 WeakPolarHBondContact O-CB 3.36Å; I283-V287 PolarHBondContact O-N 3.02Å; V287-V347 HydrophobicContact CG2-CG1 4.44Å; V287-V347 HydrophobicContact CG2-CG2 3.56Å; V287-N456 WeakPolarHBondContact CA-ND2 3.47Å; V287-N456 PolarHBondContact O-ND2 2.82Å
288G81.5Confident88.7Confident6 Ų649.8 Ų49.86%0.06227%0.266CS..SBendtrans-115.9-147.5-163.800000115.4S223 A284 G290S223-G288 WeakPolarHBondContact O-CA 3.26Å; A284-G288 CarbonylContact O-C 3.44Å; A284-G288 WeakPolarHBondContact O-CA 3.46Å; A284-G288 PolarHBondContact O-N 3.39Å; G288-G290 VanDerWaalsContact C-N 3.3Å; G288-G290 PolarHBondContact O-N 2.93Å
289P73.9Confident88.5Confident34 Ų3447.7 Ų47.722%0.22126%0.259CS..  trans-80.1-3.1-173.632.6-36.2000114.6I231 N291I231-P289 HydrophobicContact CG1-CG 4.49Å; P289-N291 PolarHBondContact O-N 3.31Å
290G81.8Confident88.2Confident33 Ų3347.9 Ų47.934%0.3426%0.259SS..SBendtrans78.5-16.3-177.200000116.1A284 G288A284-G290 WeakPolarHBondContact O-CA 3.39Å; A284-G290 PolarHBondContact O-N 3.04Å; G288-G290 VanDerWaalsContact C-N 3.3Å; G288-G290 PolarHBondContact O-N 2.93Å
291N85.6Confident87.9Confident103 Ų10353.5 Ų53.555%0.55128%0.281SS*.  trans-93.4141.9179.4-62.7-45.3000112A230 I231 P289A230-N291 CarbonylContact C-O 3.57Å; A230-N291 WeakPolarHBondContact CA-O 3.25Å; A230-N291 HydrophobicContact CB-CB 3.82Å; I231-N291 PolarHBondContact N-O 3.01Å; P289-N291 PolarHBondContact O-N 3.31Å
292T90Very high87.6Confident38 Ų3855.9 Ų55.923%0.23330%0.297CS..EExtended strand (participates in β ladder)trans-127.7146.1175.757.50000111.6I231 I233 V280 K281 A284I231-T292 CarbonylContact O-C 3Å; I231-T292 VanDerWaalsContact O-CA 3.27Å; I231-T292 WeakPolarHBondContact O-CA 3.29Å; I233-T292 HydrophobicContact CD1-CG2 4.15Å; V280-T292 HydrophobicContact CG1-CG2 4.5Å; K281-T292 HydrophobicContact CB-CG2 4.48Å; K281-T292 HydrophobicContact CG-CG2 3.81Å; A284-T292 HydrophobicContact CB-CG2 3.73Å
293V91.8Very high87.1Confident74 Ų7455.9 Ų55.945%0.44830%0.298SS..EExtended strand (participates in β ladder)trans-131.5132.9177.9172.80000110.2A230 I231 S232 I233A230-V293 HydrophobicContact CB-CB 4.44Å; A230-V293 HydrophobicContact CB-CG2 3.64Å; I231-V293 PolarHBondContact O-N 2.75Å; S232-V293 WeakPolarHBondContact CA-O 3.3Å; I233-V293 PolarHBondContact N-O 2.95Å
294N91Very high86.7Confident95 Ų9561.9 Ų61.951%0.50834%0.337SS..EExtended strand (participates in β ladder)trans-77.6132.7175.7-65.3-9.1000110.7I233I233-N294 CarbonylContact O-C 3.5Å; I233-N294 WeakPolarHBondContact O-CA 3.34Å
295R90.4Very high86.3Confident112 Ų11266.7 Ų66.742%0.42336%0.359SS..EExtended strand (participates in β ladder)trans-123.7153.1175.6-69.3-161.4-174.1177.410.1110.5S232 I233 Y234 G235S232-R295 PolarHBondContact OG-NE 3.06Å; S232-R295 VanDerWaalsContact OG-NE 3.1Å; S232-R295 PolarHBondContact OG-NH2 3.37Å; I233-R295 PolarHBondContact O-N 3.26Å; Y234-R295 HydrophobicContact CD1-CB 4.23Å; Y234-R295 HydrophobicContact CE1-CB 4.39Å; G235-R295 PolarHBondContact N-O 2.88Å
296P90.3Very high86.1Confident73 Ų7364.1 Ų64.147%0.47434%0.343SS..  trans-57.8145.5171.827.6-34.5000109.7E298 D299P296-E298 PolarHBondContact O-N 3.25Å; P296-D299 WeakPolarHBondContact CD-OD2 3.37Å; P296-D299 WeakPolarHBondContact CG-OD2 3.24Å; P296-D299 WeakPolarHBondContact O-CB 3.49Å; P296-D299 PolarHBondContact O-N 2.96Å
297F87.4Confident86.1Confident38 Ų3866.6 Ų66.617%0.16736%0.358CS..G310 helixtrans-63.1-32.7-173.5-174.5-86.4000111.7D299 I300 Y301 I311 Q315F297-D299 PolarHBondContact O-N 3.42Å; F297-D299 VanDerWaalsContact O-N 3.09Å; F297-I300 HydrophobicContact CD1-CG2 4.17Å; F297-I300 HydrophobicContact CE1-CG2 3.64Å; F297-I300 HydrophobicContact CE2-CD1 4.49Å; F297-I300 HydrophobicContact CE2-CG2 4.35Å; F297-I300 HydrophobicContact CZ-CG2 3.76Å; F297-I300 WeakPolarHBondContact O-CB 3.48Å; F297-I300 WeakPolarHBondContact O-CG2 3.34Å; F297-I300 PolarHBondContact O-N 3.42Å; F297-Y301 HydrophobicContact CD1-CE2 4.08Å; F297-Y301 AromaticContact CE1-CE2 3.72Å; F297-Y301 HydrophobicContact CE1-CE2 3.72Å; F297-I311 HydrophobicContact CE1-CG2 3.87Å; F297-I311 HydrophobicContact CZ-CG2 3.6Å; F297-Q315 VanDerWaalsContact CD1-NE2 3.31Å; F297-Q315 HydrophobicContact CD2-CG 4.43Å; F297-Q315 HydrophobicContact CE1-CG 4.03Å; F297-Q315 HydrophobicContact CE2-CG 3.46Å; F297-Q315 VanDerWaalsContact CE2-CG 3.46Å; F297-Q315 HydrophobicContact CZ-CG 3.22Å
298E88.4Confident86.2Confident132 Ų13270.5 Ų70.562%0.61738%0.382SS*.G310 helixtrans-57.7-26.5-178.9-64.678.1-172.500113.2P296 I300 Y301P296-E298 PolarHBondContact O-N 3.25Å; E298-I300 PolarHBondContact O-N 3.4Å; E298-Y301 PolarHBondContact O-N 3.31Å
299D88.5Confident86.5Confident51 Ų5173.1 Ų73.127%0.27340%0.397SS..G310 helixtrans-66.7-22.1178.9-72.2-5.3000112.4Y234 P296 F297 Y301 L302Y234-D299 HydrophobicContact CD1-CB 4.23Å; Y234-D299 HydrophobicContact CE1-CB 3.91Å; P296-D299 WeakPolarHBondContact CD-OD2 3.37Å; P296-D299 WeakPolarHBondContact CG-OD2 3.24Å; P296-D299 WeakPolarHBondContact O-CB 3.49Å; P296-D299 PolarHBondContact O-N 2.96Å; F297-D299 PolarHBondContact O-N 3.42Å; F297-D299 VanDerWaalsContact O-N 3.09Å; D299-Y301 PolarHBondContact O-N 3.35Å; D299-L302 VanDerWaalsContact O-CB 3.31Å; D299-L302 WeakPolarHBondContact O-CB 2.91Å; D299-L302 PolarHBondContact O-N 3.48Å; D299-L302 VanDerWaalsContact O-N 3.07Å
300I87.4Confident87.2Confident3 Ų374.1 Ų74.12%0.01540%0.398CS..G310 helixtrans-63.2-30.3179.9-156.8171.7000111.8Y234 F297 E298 L302 N303 L306 I311 L314Y234-I300 HydrophobicContact CD1-CB 3.69Å; Y234-I300 HydrophobicContact CD1-CG1 4.23Å; Y234-I300 HydrophobicContact CD2-CB 4.1Å; Y234-I300 HydrophobicContact CD2-CD1 3.68Å; Y234-I300 HydrophobicContact CD2-CG1 3.71Å; Y234-I300 HydrophobicContact CE1-CB 4.02Å; Y234-I300 HydrophobicContact CE1-CG1 4.4Å; Y234-I300 HydrophobicContact CE2-CB 4.41Å; Y234-I300 HydrophobicContact CE2-CD1 4.29Å; Y234-I300 HydrophobicContact CE2-CG1 3.92Å; Y234-I300 HydrophobicContact CG-CB 3.73Å; Y234-I300 HydrophobicContact CG-CD1 3.94Å; Y234-I300 HydrophobicContact CG-CG1 3.89Å; F297-I300 HydrophobicContact CD1-CG2 4.17Å; F297-I300 HydrophobicContact CE1-CG2 3.64Å; F297-I300 HydrophobicContact CE2-CD1 4.49Å; F297-I300 HydrophobicContact CE2-CG2 4.35Å; F297-I300 HydrophobicContact CZ-CG2 3.76Å; F297-I300 WeakPolarHBondContact O-CB 3.48Å; F297-I300 WeakPolarHBondContact O-CG2 3.34Å; F297-I300 PolarHBondContact O-N 3.42Å; E298-I300 PolarHBondContact O-N 3.4Å; I300-L302 PolarHBondContact O-N 3.47Å; I300-N303 WeakPolarHBondContact O-CB 3.46Å; I300-N303 PolarHBondContact O-N 3.34Å; I300-N303 VanDerWaalsContact O-N 3.16Å; I300-L306 HydrophobicContact CD1-CD1 3.91Å; I300-L306 HydrophobicContact CG1-CD1 3.73Å; I300-I311 HydrophobicContact CD1-CG1 4.31Å; I300-I311 HydrophobicContact CD1-CG2 4.41Å; I300-I311 HydrophobicContact CG1-CG1 4.32Å; I300-I311 HydrophobicContact CG2-CD1 4.25Å; I300-I311 HydrophobicContact CG2-CG1 4.3Å; I300-I311 HydrophobicContact CG2-CG2 3.58Å; I300-L314 HydrophobicContact CD1-CD1 4.33Å
301Y87.9Confident87.6Confident119 Ų11972.7 Ų72.747%0.46738%0.383SS..G310 helixtrans-72.6-12.2178.8-65.5-78.8000113.2F297 E298 D299 N303 I311F297-Y301 HydrophobicContact CD1-CE2 4.08Å; F297-Y301 AromaticContact CE1-CE2 3.72Å; F297-Y301 HydrophobicContact CE1-CE2 3.72Å; E298-Y301 PolarHBondContact O-N 3.31Å; D299-Y301 PolarHBondContact O-N 3.35Å; Y301-N303 VanDerWaalsContact C-N 3.25Å; Y301-I311 HydrophobicContact CD1-CD1 3.83Å; Y301-I311 HydrophobicContact CE1-CD1 4.1Å; Y301-I311 HydrophobicContact CE1-CG2 3.87Å; Y301-I311 HydrophobicContact CE2-CG2 4.45Å
302L87.1Confident87.8Confident135 Ų13569.6 Ų69.671%0.70737%0.365SS*.G310 helixtrans-77.5-16.3173.3-58.3175.2000111.7D299 I300 P304D299-L302 VanDerWaalsContact O-CB 3.31Å; D299-L302 WeakPolarHBondContact O-CB 2.91Å; D299-L302 PolarHBondContact O-N 3.48Å; D299-L302 VanDerWaalsContact O-N 3.07Å; I300-L302 PolarHBondContact O-N 3.47Å; L302-P304 WeakPolarHBondContact O-CD 3.39Å
303N83Confident87.8Confident39 Ų3968.3 Ų68.321%0.20936%0.358CS..  trans-81.4117.5-179.8-63.5-35.9000110.4F218 Y234 I300 Y301 E305F218-N303 HydrophobicContact CE2-CB 4.32Å; Y234-N303 PolarHBondContact OH-ND2 3.3Å; I300-N303 WeakPolarHBondContact O-CB 3.46Å; I300-N303 PolarHBondContact O-N 3.34Å; I300-N303 VanDerWaalsContact O-N 3.16Å; Y301-N303 VanDerWaalsContact C-N 3.25Å; N303-E305 PolarHBondContact O-N 2.95Å
304P81.7Confident87.8Confident127 Ų12765 Ų6583%0.82534%0.338SS*.THydrogen-bonded Turntrans-74-11.1-179.231.1-36000113.5L302L302-P304 WeakPolarHBondContact O-CD 3.39Å
305E81.9Confident87.8Confident101 Ų10164.6 Ų64.647%0.47233%0.333SS..THydrogen-bonded Turntrans-84.5-20-174.9-55.7-161.9171.600113.6F218 K221 N303F218-E305 HydrophobicContact CD2-CB 4.26Å; K221-E305 WeakPolarHBondContact CD-OE2 3.4Å; K221-E305 IonicContact NZ-OE1 3.54Å; K221-E305 PolarHBondContact NZ-OE1 2.96Å; K221-E305 IonicContact NZ-OE2 2.78Å; K221-E305 PolarHBondContact NZ-OE2 3.17Å; N303-E305 PolarHBondContact O-N 2.95Å
306L85.3Confident87.9Confident16 Ų1659.5 Ų59.58%0.08431%0.314CS..SBendtrans-100130.1-179.7-70.4171.8000110.4F218 I300 E310 I311F218-L306 HydrophobicContact CB-CD1 4.41Å; F218-L306 HydrophobicContact CB-CD2 3.71Å; F218-L306 HydrophobicContact CB-CG 4.09Å; F218-L306 HydrophobicContact CD1-CD1 4.03Å; F218-L306 HydrophobicContact CD2-CD1 4.46Å; F218-L306 HydrophobicContact CD2-CG 4.31Å; F218-L306 HydrophobicContact CE1-CD1 4.5Å; F218-L306 HydrophobicContact CG-CD1 4.02Å; F218-L306 HydrophobicContact CG-CD2 4.19Å; F218-L306 HydrophobicContact CG-CG 4.04Å; I300-L306 HydrophobicContact CD1-CD1 3.91Å; I300-L306 HydrophobicContact CG1-CD1 3.73Å; L306-E310 HydrophobicContact CD2-CB 4.43Å; L306-I311 HydrophobicContact CB-CD1 4.1Å; L306-I311 HydrophobicContact CB-CG1 3.85Å; L306-I311 HydrophobicContact CD1-CG1 4.4Å
307T87.1Confident88Confident66 Ų6660.9 Ų60.941%0.40532%0.317SS..  trans-76.5155.1171.563.50000110.9T309 E310 I311T307-T309 PolarHBondContact O-N 2.81Å; T307-T309 PolarHBondContact OG1-OG1 3.39Å; T307-T309 VanDerWaalsContact OG1-OG1 3.05Å; T307-E310 WeakPolarHBondContact CB-OE2 3.29Å; T307-E310 WeakPolarHBondContact CG2-OE2 3.49Å; T307-E310 PolarHBondContact N-OE2 2.93Å; T307-E310 PolarHBondContact O-N 3.17Å; T307-E310 WeakPolarHBondContact OG1-CB 3.44Å; T307-E310 WeakPolarHBondContact OG1-CG 3.36Å; T307-E310 PolarHBondContact OG1-N 3.09Å; T307-E310 PolarHBondContact OG1-OE2 2.62Å; T307-I311 WeakPolarHBondContact O-CG1 3.46Å; T307-I311 PolarHBondContact O-N 3.07Å
308V88.8Confident88.2Confident86 Ų8659.2 Ų59.252%0.52131%0.31SS..Hα-helixtrans-56.3-37.9177.1-179.30000111.3I311 E312V308-I311 PolarHBondContact O-N 3.44Å; V308-E312 HydrophobicContact CG1-CG 4.45Å; V308-E312 WeakPolarHBondContact O-CB 3.35Å; V308-E312 VanDerWaalsContact O-CG 3.29Å; V308-E312 WeakPolarHBondContact O-CG 3.22Å; V308-E312 PolarHBondContact O-N 3.3Å
309T86.3Confident88.3Confident61 Ų6156.5 Ų56.537%0.37429%0.294SS..Hα-helixtrans-66.6-36.3177.641.40000113.3T307 S313T307-T309 PolarHBondContact O-N 2.81Å; T307-T309 PolarHBondContact OG1-OG1 3.39Å; T307-T309 VanDerWaalsContact OG1-OG1 3.05Å; T309-S313 WeakPolarHBondContact O-CB 3.43Å; T309-S313 PolarHBondContact O-N 3.19Å; T309-S313 PolarHBondContact O-OG 3.35Å
310E89.3Confident88.4Confident54 Ų5454.4 Ų54.425%0.25228%0.283SS..Hα-helixtrans-70.7-42.6175.2-72.9160.9152.700110.8V215 L306 T307 E312 S313 L314V215-E310 HydrophobicContact CG1-CB 4.31Å; V215-E310 HydrophobicContact CG1-CG 4.42Å; L306-E310 HydrophobicContact CD2-CB 4.43Å; T307-E310 WeakPolarHBondContact CB-OE2 3.29Å; T307-E310 WeakPolarHBondContact CG2-OE2 3.49Å; T307-E310 PolarHBondContact N-OE2 2.93Å; T307-E310 PolarHBondContact O-N 3.17Å; T307-E310 WeakPolarHBondContact OG1-CB 3.44Å; T307-E310 WeakPolarHBondContact OG1-CG 3.36Å; T307-E310 PolarHBondContact OG1-N 3.09Å; T307-E310 PolarHBondContact OG1-OE2 2.62Å; E310-E312 PolarHBondContact O-N 3.22Å; E310-S313 WeakPolarHBondContact O-CB 3.44Å; E310-S313 PolarHBondContact O-N 3.13Å; E310-S313 VanDerWaalsContact O-N 3.08Å; E310-L314 WeakPolarHBondContact O-CG 3.34Å; E310-L314 PolarHBondContact O-N 3.12Å
311I90.8Very high88.6Confident4 Ų457.9 Ų57.92%0.02130%0.299CS..Hα-helixtrans-58.1-48.4175-65.6168.6000110.5F297 I300 Y301 L306 T307 V308 S313 L314 Q315F297-I311 HydrophobicContact CE1-CG2 3.87Å; F297-I311 HydrophobicContact CZ-CG2 3.6Å; I300-I311 HydrophobicContact CD1-CG1 4.31Å; I300-I311 HydrophobicContact CD1-CG2 4.41Å; I300-I311 HydrophobicContact CG1-CG1 4.32Å; I300-I311 HydrophobicContact CG2-CD1 4.25Å; I300-I311 HydrophobicContact CG2-CG1 4.3Å; I300-I311 HydrophobicContact CG2-CG2 3.58Å; Y301-I311 HydrophobicContact CD1-CD1 3.83Å; Y301-I311 HydrophobicContact CE1-CD1 4.1Å; Y301-I311 HydrophobicContact CE1-CG2 3.87Å; Y301-I311 HydrophobicContact CE2-CG2 4.45Å; L306-I311 HydrophobicContact CB-CD1 4.1Å; L306-I311 HydrophobicContact CB-CG1 3.85Å; L306-I311 HydrophobicContact CD1-CG1 4.4Å; T307-I311 WeakPolarHBondContact O-CG1 3.46Å; T307-I311 PolarHBondContact O-N 3.07Å; V308-I311 PolarHBondContact O-N 3.44Å; I311-S313 VanDerWaalsContact C-N 3.26Å; I311-S313 PolarHBondContact O-N 3.49Å; I311-L314 PolarHBondContact O-N 3.22Å; I311-Q315 PolarHBondContact O-N 3.01Å
312E89.9Confident88.8Confident37 Ų3752.2 Ų52.217%0.17328%0.277CS..Hα-helixtrans-61.3-35.4175.7-73.1177.8169.200112.1M146 H174 S176 V308 E310 Q315M146-E312 HydrophobicContact CE-CB 4.26Å; M146-E312 WeakPolarHBondContact CE-O 3.4Å; H174-E312 IonicContact CE1-OE1 2.64Å; H174-E312 IonicContact CE1-OE2 3.16Å; H174-E312 PolarHBondContact CE1-OE2 3.3Å; H174-E312 IonicContact ND1-OE2 3.37Å; H174-E312 PolarHBondContact ND1-OE2 3.35Å; S176-E312 VanDerWaalsContact CB-OE2 3.24Å; S176-E312 WeakPolarHBondContact CB-OE2 3.4Å; S176-E312 PolarHBondContact OG-OE2 3.19Å; V308-E312 HydrophobicContact CG1-CG 4.45Å; V308-E312 WeakPolarHBondContact O-CB 3.35Å; V308-E312 VanDerWaalsContact O-CG 3.29Å; V308-E312 WeakPolarHBondContact O-CG 3.22Å; V308-E312 PolarHBondContact O-N 3.3Å; E310-E312 PolarHBondContact O-N 3.22Å; E312-Q315 PolarHBondContact O-N 3.02Å
313S90.7Very high88.9Confident11 Ų1147.1 Ų47.18%0.07725%0.251CS..Hα-helixtrans-69.4-34.8177.8-60.30000112.4T309 E310 I311 Q315 V316T309-S313 WeakPolarHBondContact O-CB 3.43Å; T309-S313 PolarHBondContact O-N 3.19Å; T309-S313 PolarHBondContact O-OG 3.35Å; E310-S313 WeakPolarHBondContact O-CB 3.44Å; E310-S313 PolarHBondContact O-N 3.13Å; E310-S313 VanDerWaalsContact O-N 3.08Å; I311-S313 VanDerWaalsContact C-N 3.26Å; I311-S313 PolarHBondContact O-N 3.49Å; S313-Q315 PolarHBondContact O-N 2.95Å; S313-V316 WeakPolarHBondContact O-CB 3.22Å; S313-V316 VanDerWaalsContact O-CG2 3.22Å; S313-V316 WeakPolarHBondContact O-CG2 3.48Å; S313-V316 PolarHBondContact O-N 2.86Å
314L91.3Very high89.1Confident6 Ų646.7 Ų46.73%0.03125%0.249CC..Hα-helixtrans-71.3-16.3175.7-69.2172.7000113.4V215 F216 F219 N239 I241 M276 I300 E310 I311 V316V215-L314 HydrophobicContact CG1-CD2 3.88Å; V215-L314 HydrophobicContact CG1-CG 4.01Å; F216-L314 HydrophobicContact CD1-CD2 4.36Å; F216-L314 HydrophobicContact CE1-CD2 4.01Å; F219-L314 HydrophobicContact CE2-CD1 4Å; F219-L314 HydrophobicContact CE2-CD2 4.39Å; F219-L314 HydrophobicContact CZ-CD1 4.29Å; N239-L314 PolarHBondContact ND2-O 3.23Å; I241-L314 HydrophobicContact CD1-CD2 4.43Å; M276-L314 HydrophobicContact CE-CD1 4.43Å; M276-L314 HydrophobicContact CE-CD2 3.9Å; M276-L314 HydrophobicContact SD-CD2 4.2Å; I300-L314 HydrophobicContact CD1-CD1 4.33Å; E310-L314 WeakPolarHBondContact O-CG 3.34Å; E310-L314 PolarHBondContact O-N 3.12Å; I311-L314 PolarHBondContact O-N 3.22Å; L314-V316 VanDerWaalsContact C-N 3.32Å
315Q90.7Very high89.4Confident86 Ų8640.6 Ų40.640%0.40221%0.21SC..THydrogen-bonded Turntrans-84.8-3.5175.4-69.4-171.5-40.700114.1F297 I311 E312 S313 N317F297-Q315 VanDerWaalsContact CD1-NE2 3.31Å; F297-Q315 HydrophobicContact CD2-CG 4.43Å; F297-Q315 HydrophobicContact CE1-CG 4.03Å; F297-Q315 HydrophobicContact CE2-CG 3.46Å; F297-Q315 VanDerWaalsContact CE2-CG 3.46Å; F297-Q315 HydrophobicContact CZ-CG 3.22Å; I311-Q315 PolarHBondContact O-N 3.01Å; E312-Q315 PolarHBondContact O-N 3.02Å; S313-Q315 PolarHBondContact O-N 2.95Å; Q315-N317 PolarHBondContact O-N 3Å
316V91.7Very high89.6Confident5 Ų539.3 Ų39.33%0.0320%0.204CC..  trans-59.5137.1-179.2170.90000110.4M146 N239 P242 S313 L314 L318M146-V316 HydrophobicContact CE-CG2 3.97Å; M146-V316 HydrophobicContact SD-CG2 3.11Å; M146-V316 WeakPolarHBondContact SD-CG2 3.47Å; N239-V316 WeakPolarHBondContact CB-O 3.39Å; N239-V316 PolarHBondContact ND2-O 3.23Å; P242-V316 HydrophobicContact CG-CG1 4.23Å; S313-V316 WeakPolarHBondContact O-CB 3.22Å; S313-V316 VanDerWaalsContact O-CG2 3.22Å; S313-V316 WeakPolarHBondContact O-CG2 3.48Å; S313-V316 PolarHBondContact O-N 2.86Å; L314-V316 VanDerWaalsContact C-N 3.32Å; V316-L318 HydrophobicContact CG1-CB 3.92Å; V316-L318 HydrophobicContact CG1-CD1 3.65Å; V316-L318 HydrophobicContact CG1-CG 3.67Å
317N92.5Very high89.7Confident101 Ų10144.4 Ų44.454%0.5423%0.231SC..  trans-12987170.8-173.928.4000109.2N239 I240 Q315N239-N317 HydrophobicContact CB-CB 3.96Å; I240-N317 PolarHBondContact N-OD1 3.41Å; I240-N317 WeakPolarHBondContact O-CA 3.32Å; Q315-N317 PolarHBondContact O-N 3Å
318L91.4Very high89.6Confident4 Ų445 Ų452%0.02123%0.231CC..  trans-138.2126.4-176.8-66.8172.9000110W148 F163 I240 P242 V316 M320W148-L318 HydrophobicContact CB-CD1 3.8Å; F163-L318 HydrophobicContact CD2-CD2 3.98Å; F163-L318 HydrophobicContact CE2-CD2 3.7Å; I240-L318 PolarHBondContact O-N 2.99Å; P242-L318 HydrophobicContact CG-CB 4.18Å; V316-L318 HydrophobicContact CG1-CB 3.92Å; V316-L318 HydrophobicContact CG1-CD1 3.65Å; V316-L318 HydrophobicContact CG1-CG 3.67Å; L318-M320 HydrophobicContact CB-CG 4.36Å; L318-M320 HydrophobicContact CB-SD 4.45Å; L318-M320 HydrophobicContact CD1-CE 3.86Å; L318-M320 HydrophobicContact CD1-SD 4.38Å
319R91.1Very high89.5Confident74 Ų7441.4 Ų41.428%0.27921%0.209SC..  trans-92.1128.2164.7-65-177.8-174.6-160.13.4108.3E160 P162 F163 I240E160-R319 VanDerWaalsContact O-CD 3.31Å; E160-R319 WeakPolarHBondContact O-CD 3.49Å; E160-R319 IonicContact OE1-CZ 3Å; E160-R319 IonicContact OE1-NH1 3.56Å; E160-R319 PolarHBondContact OE1-NH1 3.34Å; E160-R319 VanDerWaalsContact OE1-NH1 3.1Å; E160-R319 IonicContact OE1-NH2 3.67Å; E160-R319 PolarHBondContact OE1-NH2 3.22Å; E160-R319 IonicContact OE2-NH1 2.86Å; P162-R319 WeakPolarHBondContact CA-O 3.05Å; P162-R319 HydrophobicContact CB-CB 4.24Å; F163-R319 PolarHBondContact N-O 2.84Å; I240-R319 HydrophobicContact CB-CG 4.43Å; I240-R319 HydrophobicContact CD1-CG 3.63Å; I240-R319 HydrophobicContact CG2-CG 4.16Å
320M90.9Very high89.3Confident7 Ų744.5 Ų44.53%0.03423%0.233CC..EExtended strand (participates in β ladder)trans-140.7145.8-170.2-83.1-174.8158.400111.3V145 W148 F163 P242 L267 V269 L318V145-M320 HydrophobicContact CB-CE 4.46Å; V145-M320 HydrophobicContact CB-SD 4.05Å; V145-M320 HydrophobicContact CG1-CE 4.3Å; V145-M320 HydrophobicContact CG1-SD 3.51Å; V145-M320 VanDerWaalsContact CG1-SD 3.51Å; W148-M320 HydrophobicContact CB-CE 3.48Å; W148-M320 VanDerWaalsContact CB-CE 3.48Å; W148-M320 HydrophobicContact CD2-CE 3.66Å; W148-M320 HydrophobicContact CE3-CE 4.16Å; W148-M320 HydrophobicContact CG-CE 3.37Å; F163-M320 HydrophobicContact CB-CE 4.34Å; F163-M320 HydrophobicContact CB-CG 4.12Å; F163-M320 WeakPolarHBondContact O-CA 3.36Å; P242-M320 HydrophobicContact CB-CB 4.29Å; P242-M320 HydrophobicContact CB-SD 4.25Å; P242-M320 HydrophobicContact CG-SD 4.2Å; L267-M320 HydrophobicContact CD1-CE 4.47Å; L267-M320 HydrophobicContact CD1-SD 3.92Å; L267-M320 HydrophobicContact CD2-CB 3.89Å; L267-M320 HydrophobicContact CD2-CG 4.12Å; L267-M320 HydrophobicContact CD2-SD 4.17Å; V269-M320 HydrophobicContact CG1-CB 4.29Å; V269-M320 HydrophobicContact CG2-CB 4.1Å; L318-M320 HydrophobicContact CB-CG 4.36Å; L318-M320 HydrophobicContact CB-SD 4.45Å; L318-M320 HydrophobicContact CD1-CE 3.86Å; L318-M320 HydrophobicContact CD1-SD 4.38Å
321E91.7Very high88.8Confident76 Ų7643 Ų4336%0.35523%0.226SC..EExtended strand (participates in β ladder)trans-136130.7179-170.2178.4-169.900110.8P162 F163 V323P162-E321 HydrophobicContact CB-CB 4.26Å; P162-E321 HydrophobicContact CG-CB 4.39Å; F163-E321 PolarHBondContact O-N 2.68Å; E321-V323 VanDerWaalsContact C-N 3.28Å; E321-V323 HydrophobicContact CB-CG2 4.36Å; E321-V323 HydrophobicContact CG-CG2 4.02Å; E321-V323 PolarHBondContact O-N 2.82Å; E321-V323 VanDerWaalsContact O-N 3.1Å
322A91.3Very high88.4Confident1 Ų147.9 Ų47.91%0.00825%0.249CC..  trans-88.754.4-172.300000112.7L267 V269 N324 V325 E326L267-A322 WeakPolarHBondContact O-CB 3.38Å; V269-A322 HydrophobicContact CG2-CB 3.97Å; A322-N324 PolarHBondContact O-N 3.29Å; A322-V325 HydrophobicContact CB-CB 4.14Å; A322-V325 PolarHBondContact O-N 3.43Å; A322-E326 PolarHBondContact O-N 3.46Å; A322-E326 VanDerWaalsContact O-N 3.14Å
323V89.6Confident88.2Confident27 Ų2747.7 Ų47.716%0.16425%0.247CC..Hα-helixtrans-53.4-44.5-170.8-178.30000113.6T164 E321 N327T164-V323 HydrophobicContact CG2-CG2 3.68Å; E321-V323 VanDerWaalsContact C-N 3.28Å; E321-V323 HydrophobicContact CB-CG2 4.36Å; E321-V323 HydrophobicContact CG-CG2 4.02Å; E321-V323 PolarHBondContact O-N 2.82Å; E321-V323 VanDerWaalsContact O-N 3.1Å; V323-N327 VanDerWaalsContact CG1-ND2 3.28Å; V323-N327 WeakPolarHBondContact CG1-ND2 3.26Å; V323-N327 WeakPolarHBondContact O-CB 3.34Å; V323-N327 PolarHBondContact O-N 3.31Å; V323-N327 VanDerWaalsContact O-N 3.13Å; V323-N327 PolarHBondContact O-ND2 3.28Å
324N87.5Confident88Confident30 Ų3049.5 Ų49.516%0.1625%0.254CS..Hα-helixtrans-70.5-32.2178.7-67.2-49.1000112.8D165 P263 L266 A322 L328D165-N324 PolarHBondContact OD1-N 2.98Å; D165-N324 PolarHBondContact OD1-ND2 2.92Å; D165-N324 VanDerWaalsContact OD1-ND2 3.09Å; D165-N324 WeakPolarHBondContact OD2-CB 2.91Å; D165-N324 VanDerWaalsContact OD2-CG 3.25Å; D165-N324 PolarHBondContact OD2-ND2 3.42Å; P263-N324 HydrophobicContact CG-CB 4.33Å; L266-N324 HydrophobicContact CD2-CB 3.79Å; A322-N324 PolarHBondContact O-N 3.29Å; N324-L328 HydrophobicContact CB-CD1 3.93Å; N324-L328 WeakPolarHBondContact O-CB 3.47Å; N324-L328 WeakPolarHBondContact O-CD1 3.08Å; N324-L328 WeakPolarHBondContact O-CG 3.49Å; N324-L328 PolarHBondContact O-N 3.03Å
325V88.1Confident87.9Confident0 Ų049.2 Ų49.20%025%0.252CS..Hα-helixtrans-68.1-45.4-1791690000110V252 L266 L267 A322 F329 I331 W333V252-V325 HydrophobicContact CG1-CG2 4.16Å; V252-V325 HydrophobicContact CG2-CG1 3.86Å; L266-V325 HydrophobicContact CB-CG2 4.42Å; L267-V325 WeakPolarHBondContact O-CG2 3.36Å; A322-V325 HydrophobicContact CB-CB 4.14Å; A322-V325 PolarHBondContact O-N 3.43Å; V325-F329 HydrophobicContact CB-CD2 4.46Å; V325-F329 HydrophobicContact CG1-CD2 4.16Å; V325-F329 WeakPolarHBondContact O-CB 3.2Å; V325-F329 PolarHBondContact O-N 3.46Å; V325-F329 VanDerWaalsContact O-N 3.12Å; V325-I331 HydrophobicContact CG1-CD1 3.44Å; V325-I331 VanDerWaalsContact CG1-CD1 3.44Å; V325-W333 HydrophobicContact CG1-CH2 4.41Å; V325-W333 HydrophobicContact CG1-CZ2 4.24Å
326E86.1Confident87.8Confident73 Ų7350 Ų5034%0.34126%0.256SS..Hα-helixtrans-63.8-43.4177.3-69.7167.5-146.400112.5L271 A322L271-E326 VanDerWaalsContact CD2-OE1 3.23Å; L271-E326 WeakPolarHBondContact CD2-OE1 3.33Å; A322-E326 PolarHBondContact O-N 3.46Å; A322-E326 VanDerWaalsContact O-N 3.14Å
327N86.6Confident87.7Confident123 Ų12352.1 Ų52.166%0.65827%0.271SS*.Hα-helixtrans-76.4-31.4-177.1-74.6-49.5000113.6V323V323-N327 VanDerWaalsContact CG1-ND2 3.28Å; V323-N327 WeakPolarHBondContact CG1-ND2 3.26Å; V323-N327 WeakPolarHBondContact O-CB 3.34Å; V323-N327 PolarHBondContact O-N 3.31Å; V323-N327 VanDerWaalsContact O-N 3.13Å; V323-N327 PolarHBondContact O-ND2 3.28Å
328L85.4Confident87.6Confident79 Ų7947.3 Ų47.341%0.41425%0.245SC..Hα-helixtrans-94.1-22.2-173.2-62173.7000113.6P261 P263 L266 N324P261-L328 HydrophobicContact CB-CD1 3.78Å; P263-L328 HydrophobicContact CG-CD1 3.58Å; L266-L328 HydrophobicContact CD2-CD1 4.5Å; N324-L328 HydrophobicContact CB-CD1 3.93Å; N324-L328 WeakPolarHBondContact O-CB 3.47Å; N324-L328 WeakPolarHBondContact O-CD1 3.08Å; N324-L328 WeakPolarHBondContact O-CG 3.49Å; N324-L328 PolarHBondContact O-N 3.03Å
329F86.8Confident87.6Confident11 Ų1147.1 Ų47.15%0.04824%0.244CC..  trans-127.7141.1-171.5-54.3-46.2000112.4N255 V256 H259 P261 L266 V325 I331N255-F329 HydrophobicContact CB-CB 4.32Å; N255-F329 HydrophobicContact CB-CD1 3.79Å; N255-F329 HydrophobicContact CB-CD2 4.12Å; N255-F329 HydrophobicContact CB-CE1 4.03Å; N255-F329 HydrophobicContact CB-CE2 4.32Å; N255-F329 HydrophobicContact CB-CG 3.82Å; N255-F329 HydrophobicContact CB-CZ 4.25Å; V256-F329 HydrophobicContact CG2-CE2 4.08Å; V256-F329 HydrophobicContact CG2-CZ 3.83Å; H259-F329 HydrophobicContact CB-CD1 4.39Å; H259-F329 HydrophobicContact CB-CE1 3.93Å; H259-F329 AromaticContact CD2-CD1 3.88Å; P261-F329 HydrophobicContact CB-CE1 4.29Å; P261-F329 HydrophobicContact CB-CZ 4.09Å; P261-F329 HydrophobicContact CG-CE1 4.32Å; P261-F329 HydrophobicContact CG-CZ 3.78Å; L266-F329 HydrophobicContact CD1-CE2 4.37Å; L266-F329 HydrophobicContact CD1-CZ 4.49Å; V325-F329 HydrophobicContact CB-CD2 4.46Å; V325-F329 HydrophobicContact CG1-CD2 4.16Å; V325-F329 WeakPolarHBondContact O-CB 3.2Å; V325-F329 PolarHBondContact O-N 3.46Å; V325-F329 VanDerWaalsContact O-N 3.12Å; F329-I331 HydrophobicContact CB-CD1 3.95Å; F329-I331 HydrophobicContact CB-CG1 3.56Å; F329-I331 HydrophobicContact CD2-CD1 4.15Å; F329-I331 HydrophobicContact CG-CD1 4.5Å; F329-I331 PolarHBondContact O-N 3.35Å
330S81Confident87.7Confident126 Ų12645 Ų4588%0.88124%0.24SC*.  trans-91.781.5166.7-56.40000109
331I78.7Confident87.7Confident22 Ų2250.1 Ų50.111%0.11327%0.267CS..  trans-85.6132.5-178.3-56.4-170.8000109.6V252 V325 F329 W333V252-I331 HydrophobicContact CB-CD1 4.49Å; V252-I331 HydrophobicContact CG2-CD1 3.63Å; V325-I331 HydrophobicContact CG1-CD1 3.44Å; V325-I331 VanDerWaalsContact CG1-CD1 3.44Å; F329-I331 HydrophobicContact CB-CD1 3.95Å; F329-I331 HydrophobicContact CB-CG1 3.56Å; F329-I331 HydrophobicContact CD2-CD1 4.15Å; F329-I331 HydrophobicContact CG-CD1 4.5Å; F329-I331 PolarHBondContact O-N 3.35Å; I331-W333 HydrophobicContact CG2-CD2 4.14Å; I331-W333 HydrophobicContact CG2-CG 4.25Å; I331-W333 PolarHBondContact O-N 2.99Å
332H82.8Confident87.7Confident106 Ų10648 Ų4849%0.49126%0.258SS..  trans-87.1104.1160.9-179.4-94.1000106.9R42R42-H332 PolarHBondContact NH1-NE2 3.22Å
333W85.6Confident87.7Confident34 Ų3448.1 Ų48.113%0.12926%0.259CS..  trans-75.2138.1178.8-67.2100.5000110.3D248 V325 I331 E336D248-W333 HydrophobicContact CB-CE3 3.78Å; D248-W333 HydrophobicContact CB-CZ3 3.93Å; V325-W333 HydrophobicContact CG1-CH2 4.41Å; V325-W333 HydrophobicContact CG1-CZ2 4.24Å; I331-W333 HydrophobicContact CG2-CD2 4.14Å; I331-W333 HydrophobicContact CG2-CG 4.25Å; I331-W333 PolarHBondContact O-N 2.99Å; W333-E336 HydrophobicContact CB-CB 3.65Å; W333-E336 HydrophobicContact CB-CG 4.27Å; W333-E336 HydrophobicContact CG-CB 4.03Å; W333-E336 HydrophobicContact CG-CG 4.14Å
334H86.6Confident87.6Confident49 Ų4950.8 Ų50.823%0.22727%0.272CS..SBendtrans-86.2-43.3172.8-168.576.7000110.5H245 T247 D248 E349H245-H334 AromaticContact CE1-CD2 3.38Å; H245-H334 PolarHBondContact CE1-CD2 3.41Å; H245-H334 AromaticContact CE1-NE2 3.9Å; H245-H334 AromaticContact ND1-CD2 3.66Å; H245-H334 AromaticContact NE2-CD2 3.75Å; T247-H334 VanDerWaalsContact OG1-CB 3.3Å; T247-H334 WeakPolarHBondContact OG1-CB 3.35Å; D248-H334 VanDerWaalsContact OD1-CB 3.29Å; D248-H334 WeakPolarHBondContact OD1-CB 3.48Å; D248-H334 PolarHBondContact OD1-N 2.94Å; D248-H334 PolarHBondContact OD2-N 3Å; H334-E349 IonicContact CD2-OE1 2.65Å; H334-E349 IonicContact CE1-OE1 3.1Å; H334-E349 IonicContact NE2-OE1 2.81Å; H334-E349 PolarHBondContact NE2-OE1 2.87Å
335C89.5Confident87.8Confident0 Ų053.1 Ų53.10%028%0.284CS..SBendtrans-131.870.6175.3-59.40000110.9Y209 H245 D248 S337 G338 N342Y209-C335 HydrophobicContact CE2-CB 4.32Å; Y209-C335 WeakPolarHBondContact OH-CB 3.38Å; H245-C335 HydrophobicContact CB-CB 3.99Å; H245-C335 VanDerWaalsContact CD2-SG 3.57Å; D248-C335 PolarHBondContact OD2-N 3.23Å; C335-S337 PolarHBondContact O-N 3.05Å; C335-G338 PolarHBondContact O-N 2.93Å; C335-N342 HydrophobicContact CB-CB 4.23Å
336E88.8Confident87.9Confident102 Ų10253.1 Ų53.148%0.47728%0.284SS..THydrogen-bonded Turntrans-60.7-43.8-178.4-173168.2-170.300112.6L271 W333 G338L271-E336 WeakPolarHBondContact CB-O 3.49Å; L271-E336 HydrophobicContact CD1-CG 3.76Å; L271-E336 HydrophobicContact CG-CG 4.47Å; L271-E336 PolarHBondContact N-O 2.81Å; W333-E336 HydrophobicContact CB-CB 3.65Å; W333-E336 HydrophobicContact CB-CG 4.27Å; W333-E336 HydrophobicContact CG-CB 4.03Å; W333-E336 HydrophobicContact CG-CG 4.14Å; E336-G338 VanDerWaalsContact C-N 3.28Å; E336-G338 PolarHBondContact O-N 3.41Å
337S88.9Confident88Confident49 Ų4949.9 Ų49.934%0.34327%0.269SS..THydrogen-bonded Turntrans-86.56.3-178.863.20000114.3S272 C335 D341 N342S272-S337 VanDerWaalsContact CB-O 3.25Å; S272-S337 WeakPolarHBondContact CB-O 3.36Å; C335-S337 PolarHBondContact O-N 3.05Å; S337-D341 WeakPolarHBondContact CB-OD2 3.42Å; S337-D341 VanDerWaalsContact OG-CB 3.22Å; S337-D341 WeakPolarHBondContact OG-CB 3.22Å; S337-D341 PolarHBondContact OG-OD2 3.36Å; S337-N342 PolarHBondContact OG-ND2 3.06Å; S337-N342 VanDerWaalsContact OG-ND2 3.14Å
338G90.6Very high88Confident0 Ų047.7 Ų47.70%026%0.255CS..  trans90.2-170.2174.100000115.5Y209 D270 C335 E336 N342Y209-G338 VanDerWaalsContact OH-C 3.23Å; Y209-G338 VanDerWaalsContact OH-CA 3.26Å; Y209-G338 WeakPolarHBondContact OH-CA 3.44Å; D270-G338 WeakPolarHBondContact OD2-CA 3.41Å; C335-G338 PolarHBondContact O-N 2.93Å; E336-G338 VanDerWaalsContact C-N 3.28Å; E336-G338 PolarHBondContact O-N 3.41Å; G338-N342 WeakPolarHBondContact O-CB 3.47Å; G338-N342 PolarHBondContact O-N 3.1Å; G338-N342 PolarHBondContact O-ND2 3.28Å
339L92.2Very high88.2Confident0 Ų044.8 Ų44.80%024%0.239CC..THydrogen-bonded Turntrans-69.5-39.3-174.5178.260.6000113.2Y209 F216 L279 I283 D341 N342 V343 V346Y209-L339 HydrophobicContact CD2-CB 4.12Å; Y209-L339 HydrophobicContact CD2-CD1 3.7Å; Y209-L339 HydrophobicContact CD2-CG 4.36Å; Y209-L339 HydrophobicContact CE1-CB 4.35Å; Y209-L339 HydrophobicContact CE2-CB 3.85Å; Y209-L339 HydrophobicContact CE2-CD1 3.95Å; Y209-L339 HydrophobicContact CE2-CG 4.48Å; Y209-L339 HydrophobicContact CG-CB 4.48Å; Y209-L339 HydrophobicContact CG-CD1 4.43Å; Y209-L339 PolarHBondContact OH-N 2.85Å; F216-L339 HydrophobicContact CD2-CD2 4.48Å; L279-L339 HydrophobicContact CD2-CB 3.99Å; L279-L339 HydrophobicContact CD2-CD2 3.95Å; L279-L339 HydrophobicContact CD2-CG 4.31Å; I283-L339 HydrophobicContact CD1-CD2 4.41Å; L339-D341 PolarHBondContact O-N 2.93Å; L339-N342 CarbonylContact O-C 3.57Å; L339-N342 PolarHBondContact O-N 2.92Å; L339-V343 WeakPolarHBondContact O-CA 3.22Å; L339-V343 WeakPolarHBondContact O-CB 3.48Å; L339-V343 PolarHBondContact O-N 3.43Å; L339-V346 HydrophobicContact CD1-CB 3.89Å; L339-V346 HydrophobicContact CD1-CG1 3.77Å; L339-V346 HydrophobicContact CD1-CG2 3.75Å
340V92.2Very high88.2Confident31 Ų3144.7 Ų44.719%0.18824%0.239CC..THydrogen-bonded Turntrans-61.9-47.7-172.9176.30000111.5N274 L279 I282N274-V340 HydrophobicContact CB-CG2 3.97Å; N274-V340 WeakPolarHBondContact ND2-CG2 3.26Å; L279-V340 HydrophobicContact CD2-CG2 3.87Å; I282-V340 HydrophobicContact CB-CG1 4.44Å; I282-V340 HydrophobicContact CG1-CG1 4.31Å; I282-V340 HydrophobicContact CG2-CG2 4.13Å
341D91.8Very high88.3Confident113 Ų11340.6 Ų40.660%0.60420%0.204SC*.THydrogen-bonded Turntrans-75.1-28.1-179.3-68.2-13.6000113.3S337 L339S337-D341 WeakPolarHBondContact CB-OD2 3.42Å; S337-D341 VanDerWaalsContact OG-CB 3.22Å; S337-D341 WeakPolarHBondContact OG-CB 3.22Å; S337-D341 PolarHBondContact OG-OD2 3.36Å; L339-D341 PolarHBondContact O-N 2.93Å
342N92Very high88.6Confident31 Ų3145.8 Ų45.817%0.16623%0.231CC..THydrogen-bonded Turntrans-106.819.6-174.8-59.9-76.3000112.8C335 S337 G338 L339 D344 L345 V346C335-N342 HydrophobicContact CB-CB 4.23Å; S337-N342 PolarHBondContact OG-ND2 3.06Å; S337-N342 VanDerWaalsContact OG-ND2 3.14Å; G338-N342 WeakPolarHBondContact O-CB 3.47Å; G338-N342 PolarHBondContact O-N 3.1Å; G338-N342 PolarHBondContact O-ND2 3.28Å; L339-N342 CarbonylContact O-C 3.57Å; L339-N342 PolarHBondContact O-N 2.92Å; N342-D344 VanDerWaalsContact C-N 3.3Å; N342-D344 PolarHBondContact O-N 3.44Å; N342-L345 HydrophobicContact CB-CD1 4.43Å; N342-L345 WeakPolarHBondContact O-CB 3.48Å; N342-L345 PolarHBondContact O-N 2.84Å; N342-V346 PolarHBondContact O-N 2.89Å; N342-V346 VanDerWaalsContact O-N 3.16Å
343V90.5Very high88.5Confident5 Ų543.6 Ų43.63%0.0323%0.228CC..Hα-helixtrans-58.4-39.6-173.363.70000112.5I282 V286 L339 L345 V346 V347I282-V343 HydrophobicContact CD1-CG1 4.27Å; I282-V343 HydrophobicContact CG1-CB 4.04Å; I282-V343 HydrophobicContact CG1-CG1 3.77Å; I282-V343 HydrophobicContact CG1-CG2 4.15Å; V286-V343 HydrophobicContact CB-CG1 4.47Å; V286-V343 HydrophobicContact CB-CG2 4.08Å; V286-V343 HydrophobicContact CG1-CG1 4.47Å; V286-V343 HydrophobicContact CG1-CG2 4.24Å; V286-V343 HydrophobicContact CG2-CG1 3.75Å; V286-V343 HydrophobicContact CG2-CG2 4.15Å; L339-V343 WeakPolarHBondContact O-CA 3.22Å; L339-V343 WeakPolarHBondContact O-CB 3.48Å; L339-V343 PolarHBondContact O-N 3.43Å; V343-L345 VanDerWaalsContact C-N 3.33Å; V343-L345 PolarHBondContact O-N 2.75Å; V343-V346 PolarHBondContact O-N 3.03Å; V343-V346 VanDerWaalsContact O-N 3.17Å; V343-V347 HydrophobicContact CG2-CG2 4.18Å; V343-V347 VanDerWaalsContact O-CG2 3.27Å; V343-V347 WeakPolarHBondContact O-CG2 3.43Å; V343-V347 PolarHBondContact O-N 2.98Å
344D88.6Confident88.4Confident82 Ų8247.7 Ų47.744%0.43924%0.243SC..Hα-helixtrans-60.6-43.6-179.9-73.5-55.9000111.8N342 V347 E348N342-D344 VanDerWaalsContact C-N 3.3Å; N342-D344 PolarHBondContact O-N 3.44Å; D344-V347 PolarHBondContact O-N 2.98Å; D344-E348 WeakPolarHBondContact O-CG 3.46Å; D344-E348 PolarHBondContact O-N 3.13Å
345L90.2Very high87.9Confident79 Ų7948 Ų4841%0.41426%0.259SS..Hα-helixtrans-62.7-45.4176.1-64.6172.7000110.6N342 V343 V347 E348 E349N342-L345 HydrophobicContact CB-CD1 4.43Å; N342-L345 WeakPolarHBondContact O-CB 3.48Å; N342-L345 PolarHBondContact O-N 2.84Å; V343-L345 VanDerWaalsContact C-N 3.33Å; V343-L345 PolarHBondContact O-N 2.75Å; L345-V347 VanDerWaalsContact C-N 3.32Å; L345-V347 PolarHBondContact O-N 3Å; L345-E348 PolarHBondContact O-N 2.88Å; L345-E349 WeakPolarHBondContact O-CG 3.46Å; L345-E349 PolarHBondContact O-N 2.87Å
346V91.4Very high87.4Confident1 Ų150.2 Ų50.21%0.00627%0.271CS..Hα-helixtrans-64.9-36.3179.81760000111.6Y209 F220 L339 N342 V343 E349 Y350Y209-V346 HydrophobicContact CD2-CG2 4.05Å; Y209-V346 HydrophobicContact CE2-CG2 4.06Å; F220-V346 HydrophobicContact CZ-CG1 4.1Å; L339-V346 HydrophobicContact CD1-CB 3.89Å; L339-V346 HydrophobicContact CD1-CG1 3.77Å; L339-V346 HydrophobicContact CD1-CG2 3.75Å; N342-V346 PolarHBondContact O-N 2.89Å; N342-V346 VanDerWaalsContact O-N 3.16Å; V343-V346 PolarHBondContact O-N 3.03Å; V343-V346 VanDerWaalsContact O-N 3.17Å; V346-E349 PolarHBondContact O-N 3.46Å; V346-Y350 WeakPolarHBondContact O-CB 3.11Å; V346-Y350 PolarHBondContact O-N 3.48Å
347V88.8Confident86.7Confident5 Ų551.5 Ų51.53%0.0328%0.28CS..Hα-helixtrans-67.2-40.5175.8171.30000111.2F220 V286 V287 V343 D344 L345 E349 Y350 R351F220-V347 HydrophobicContact CE1-CG2 3.91Å; V286-V347 HydrophobicContact CG1-CG2 3.97Å; V287-V347 HydrophobicContact CG2-CG1 4.44Å; V287-V347 HydrophobicContact CG2-CG2 3.56Å; V343-V347 HydrophobicContact CG2-CG2 4.18Å; V343-V347 VanDerWaalsContact O-CG2 3.27Å; V343-V347 WeakPolarHBondContact O-CG2 3.43Å; V343-V347 PolarHBondContact O-N 2.98Å; D344-V347 PolarHBondContact O-N 2.98Å; L345-V347 VanDerWaalsContact C-N 3.32Å; L345-V347 PolarHBondContact O-N 3Å; V347-E349 VanDerWaalsContact C-N 3.34Å; V347-Y350 WeakPolarHBondContact O-CB 3.48Å; V347-Y350 PolarHBondContact O-N 3.5Å; V347-R351 VanDerWaalsContact O-CG 3.26Å; V347-R351 WeakPolarHBondContact O-CG 3.45Å; V347-R351 PolarHBondContact O-N 2.95Å
348E85.9Confident86.2Confident77 Ų7750.1 Ų50.136%0.3627%0.27SS..Hα-helixtrans-62.3-42.4173.1-71.9-174.4172.300111.7D344 L345 Y350 R351 L352D344-E348 WeakPolarHBondContact O-CG 3.46Å; D344-E348 PolarHBondContact O-N 3.13Å; L345-E348 PolarHBondContact O-N 2.88Å; E348-Y350 PolarHBondContact O-N 3.4Å; E348-R351 WeakPolarHBondContact O-CB 3.34Å; E348-R351 PolarHBondContact O-N 3.5Å; E348-L352 WeakPolarHBondContact O-CG 3.3Å; E348-L352 PolarHBondContact O-N 3.29Å
349E88.8Confident85.8Confident18 Ų1851 Ų518%0.08428%0.275CS..Hα-helixtrans-63.7-40.3174.5-69.9177.8-177.200112.9M211 H245 H334 L345 V346 V347 R351 L352 S353M211-E349 HydrophobicContact CE-CG 3.68Å; M211-E349 WeakPolarHBondContact CE-OE1 3.21Å; M211-E349 WeakPolarHBondContact CE-OE2 3.32Å; M211-E349 PolarHBondContact N-OE2 3.35Å; M211-E349 HydrophobicContact SD-CB 4.35Å; M211-E349 HydrophobicContact SD-CG 4.1Å; H245-E349 IonicContact CE1-OE1 2.98Å; H245-E349 IonicContact CE1-OE2 3.11Å; H245-E349 PolarHBondContact CE1-OE2 3.21Å; H245-E349 IonicContact NE2-OE1 3.99Å; H245-E349 IonicContact NE2-OE2 2.64Å; H245-E349 PolarHBondContact NE2-OE2 3.18Å; H334-E349 IonicContact CD2-OE1 2.65Å; H334-E349 IonicContact CE1-OE1 3.1Å; H334-E349 IonicContact NE2-OE1 2.81Å; H334-E349 PolarHBondContact NE2-OE1 2.87Å; L345-E349 WeakPolarHBondContact O-CG 3.46Å; L345-E349 PolarHBondContact O-N 2.87Å; V346-E349 PolarHBondContact O-N 3.46Å; V347-E349 VanDerWaalsContact C-N 3.34Å; E349-R351 VanDerWaalsContact C-N 3.32Å; E349-R351 PolarHBondContact O-N 2.96Å; E349-L352 PolarHBondContact O-N 2.96Å; E349-S353 WeakPolarHBondContact O-CB 3.35Å; E349-S353 PolarHBondContact O-N 3.5Å; E349-S353 PolarHBondContact O-OG 2.93Å
350Y88.3Confident85.5Confident9 Ų953 Ų534%0.03528%0.282CS..Hα-helixtrans-58.9-47.2174.4177.8-125.7000110.9E213 H217 F220 W224 V346 V347 E348 L352 S353 R354 L356E213-Y350 WeakPolarHBondContact OE1-CD2 3.26Å; E213-Y350 WeakPolarHBondContact OE1-CE2 3.4Å; E213-Y350 WeakPolarHBondContact OE2-CB 3.38Å; E213-Y350 WeakPolarHBondContact OE2-CD2 3.45Å; E213-Y350 WeakPolarHBondContact OE2-CE2 3.48Å; H217-Y350 PolarHBondContact CE1-OH 3.47Å; H217-Y350 VanDerWaalsContact CE1-OH 3.3Å; F220-Y350 HydrophobicContact CB-CE1 4.23Å; F220-Y350 AromaticContact CD1-CD1 3.86Å; F220-Y350 HydrophobicContact CD1-CD1 3.86Å; F220-Y350 HydrophobicContact CD1-CE1 4.21Å; F220-Y350 HydrophobicContact CD1-CG 4.12Å; W224-Y350 HydrophobicContact CE3-CD1 4.29Å; W224-Y350 HydrophobicContact CE3-CE1 4.11Å; V346-Y350 WeakPolarHBondContact O-CB 3.11Å; V346-Y350 PolarHBondContact O-N 3.48Å; V347-Y350 WeakPolarHBondContact O-CB 3.48Å; V347-Y350 PolarHBondContact O-N 3.5Å; E348-Y350 PolarHBondContact O-N 3.4Å; Y350-L352 PolarHBondContact O-N 3.44Å; Y350-S353 PolarHBondContact O-N 3.32Å; Y350-S353 PolarHBondContact O-OG 3.35Å; Y350-R354 HydrophobicContact CD2-CG 3.81Å; Y350-R354 HydrophobicContact CE2-CG 3.46Å; Y350-R354 VanDerWaalsContact CE2-CG 3.46Å; Y350-R354 PolarHBondContact O-N 2.9Å; Y350-R354 VanDerWaalsContact O-N 3.13Å; Y350-L356 HydrophobicContact CD1-CD1 4.1Å; Y350-L356 HydrophobicContact CE1-CD1 3.57Å
351R82.9Confident85.2Confident39 Ų3951.5 Ų51.515%0.14727%0.273CS..Hα-helixtrans-58.7-50.2177.5-73.2170.461.1-170.9-7.8112.2W224 V347 E348 E349 G355 L356 K455W224-R351 HydrophobicContact CH2-CG 3.55Å; W224-R351 HydrophobicContact CZ3-CG 3.71Å; V347-R351 VanDerWaalsContact O-CG 3.26Å; V347-R351 WeakPolarHBondContact O-CG 3.45Å; V347-R351 PolarHBondContact O-N 2.95Å; E348-R351 WeakPolarHBondContact O-CB 3.34Å; E348-R351 PolarHBondContact O-N 3.5Å; E349-R351 VanDerWaalsContact C-N 3.32Å; E349-R351 PolarHBondContact O-N 2.96Å; R351-G355 CarbonylContact O-C 3.54Å; R351-G355 WeakPolarHBondContact O-CA 3.24Å; R351-G355 PolarHBondContact O-N 3.1Å; R351-L356 WeakPolarHBondContact CB-O 3.49Å; R351-L356 HydrophobicContact CG-CB 4.48Å; R351-L356 PolarHBondContact O-N 2.92Å; R351-K455 PolarHBondContact NH1-O 3.27Å
352L83.8Confident85.1Confident132 Ų13246.1 Ų46.169%0.69125%0.245SC*.Hα-helixtrans-66-40.5-179.2-69.2173.7000112.5E348 E349 Y350 R354E348-L352 WeakPolarHBondContact O-CG 3.3Å; E348-L352 PolarHBondContact O-N 3.29Å; E349-L352 PolarHBondContact O-N 2.96Å; Y350-L352 PolarHBondContact O-N 3.44Å; L352-R354 PolarHBondContact O-N 3.45Å
353S81.8Confident84.8Confident59 Ų5944.7 Ų44.741%0.41324%0.237SC..Hα-helixtrans-70.3-30.9-17764.20000113.6M211 G212 E349 Y350M211-S353 WeakPolarHBondContact O-CB 3.49Å; G212-S353 WeakPolarHBondContact CA-OG 3.42Å; G212-S353 PolarHBondContact N-OG 2.99Å; E349-S353 WeakPolarHBondContact O-CB 3.35Å; E349-S353 PolarHBondContact O-N 3.5Å; E349-S353 PolarHBondContact O-OG 2.93Å; Y350-S353 PolarHBondContact O-N 3.32Å; Y350-S353 PolarHBondContact O-OG 3.35Å
354R82.1Confident84.6Confident121 Ų12144.6 Ų44.646%0.45724%0.236SC..Hα-helixtrans-99.5-5.2179.5-63.9-75.4-179.2140.64.3113.5G212 H217 Y350 L352 L356G212-R354 PolarHBondContact O-NH2 3.08Å; H217-R354 PolarHBondContact CE1-NH1 2.9Å; H217-R354 VanDerWaalsContact CE1-NH1 3.35Å; H217-R354 PolarHBondContact CE1-NH2 2.89Å; H217-R354 PolarHBondContact ND1-NH2 3.36Å; H217-R354 PolarHBondContact NE2-NH1 3.13Å; H217-R354 PolarHBondContact NE2-NH2 3.45Å; Y350-R354 HydrophobicContact CD2-CG 3.81Å; Y350-R354 HydrophobicContact CE2-CG 3.46Å; Y350-R354 VanDerWaalsContact CE2-CG 3.46Å; Y350-R354 PolarHBondContact O-N 2.9Å; Y350-R354 VanDerWaalsContact O-N 3.13Å; L352-R354 PolarHBondContact O-N 3.45Å; R354-L356 VanDerWaalsContact C-N 3.3Å; R354-L356 HydrophobicContact CB-CD1 3.87Å; R354-L356 HydrophobicContact CB-CG 3.74Å; R354-L356 HydrophobicContact CG-CD1 4.45Å
355G77.7Confident84.4Confident54 Ų5440.8 Ų40.856%0.55722%0.216SC*.THydrogen-bonded Turntrans69.227.2-174.800000113.5R351 L357R351-G355 CarbonylContact O-C 3.54Å; R351-G355 WeakPolarHBondContact O-CA 3.24Å; R351-G355 PolarHBondContact O-N 3.1Å; G355-L357 VanDerWaalsContact C-N 3.32Å; G355-L357 PolarHBondContact O-N 3.17Å
356L78.6Confident84.1Confident48 Ų4837.3 Ų37.325%0.25120%0.198SC..  trans-83.678.1178.4-57.1169.6000109.3W224 Y350 R351 R354W224-L356 HydrophobicContact CD2-CD1 4.14Å; W224-L356 HydrophobicContact CE3-CD1 4.45Å; W224-L356 HydrophobicContact CH2-CB 4.03Å; W224-L356 HydrophobicContact CZ2-CB 3.67Å; W224-L356 HydrophobicContact CZ2-CD1 4.19Å; W224-L356 HydrophobicContact CZ2-CG 4.39Å; Y350-L356 HydrophobicContact CD1-CD1 4.1Å; Y350-L356 HydrophobicContact CE1-CD1 3.57Å; R351-L356 WeakPolarHBondContact CB-O 3.49Å; R351-L356 HydrophobicContact CG-CB 4.48Å; R351-L356 PolarHBondContact O-N 2.92Å; R354-L356 VanDerWaalsContact C-N 3.3Å; R354-L356 HydrophobicContact CB-CD1 3.87Å; R354-L356 HydrophobicContact CB-CG 3.74Å; R354-L356 HydrophobicContact CG-CD1 4.45Å
357L74.1Confident83.6Confident129 Ų12938 Ų3868%0.67520%0.203SC*.  trans-88.5130.1174.3-62.9173.9000109.6G355 L359G355-L357 VanDerWaalsContact C-N 3.32Å; G355-L357 PolarHBondContact O-N 3.17Å; L357-L359 PolarHBondContact O-N 2.98Å
358P78.4Confident83Confident19 Ų1938.1 Ų38.112%0.12321%0.205CC..  trans-67127.3179.927-34.6000109.8R360 Q457P358-R360 PolarHBondContact O-N 2.92Å; P358-Q457 WeakPolarHBondContact CA-O 3.33Å
359L82.2Confident82.7Confident19 Ų1934.5 Ų34.510%0.09919%0.188CC..EExtended strand (participates in β ladder)trans-85.6114.1176.6-16579.5000109.5L357 V361 Y382 L384 Q457 G458 Y459 F490 I571 T575L357-L359 PolarHBondContact O-N 2.98Å; L359-V361 HydrophobicContact CD2-CG2 3.73Å; L359-V361 HydrophobicContact CG-CG2 3.81Å; L359-Y382 HydrophobicContact CD2-CD2 4.23Å; L359-Y382 HydrophobicContact CD2-CG 4.31Å; L359-L384 HydrophobicContact CB-CD1 4.06Å; L359-L384 HydrophobicContact CB-CD2 4.12Å; L359-L384 HydrophobicContact CD2-CD1 3.8Å; L359-L384 HydrophobicContact CG-CD1 4.39Å; L359-Q457 PolarHBondContact N-O 3.05Å; L359-G458 CarbonylContact O-C 3.54Å; L359-G458 VanDerWaalsContact O-CA 3.27Å; L359-G458 WeakPolarHBondContact O-CA 3.1Å; L359-Y459 PolarHBondContact O-N 3.26Å; L359-F490 HydrophobicContact CD1-CD2 3.86Å; L359-F490 HydrophobicContact CD1-CE2 3.55Å; L359-F490 HydrophobicContact CG-CD2 4.5Å; L359-I571 HydrophobicContact CD1-CG2 4.29Å; L359-I571 HydrophobicContact CD2-CG2 3.85Å; L359-T575 HydrophobicContact CD1-CG2 4.04Å
360R85.8Confident82Confident42 Ų4234.4 Ų34.416%0.15819%0.192CC..EExtended strand (participates in β ladder)trans-108.5110.2179.8-57.9168.4-68.6169.413.1109P358 Y459 E484 K485 T487 E489 F490P358-R360 PolarHBondContact O-N 2.92Å; R360-Y459 HydrophobicContact CB-CE1 4Å; R360-Y459 HydrophobicContact CG-CD1 4.09Å; R360-Y459 HydrophobicContact CG-CE1 3.7Å; R360-E484 PolarHBondContact NH1-O 3.43Å; R360-K485 PolarHBondContact NH1-O 2.99Å; R360-T487 WeakPolarHBondContact CD-O 3.25Å; R360-T487 PolarHBondContact NE-O 3.42Å; R360-T487 VanDerWaalsContact NE-O 3.17Å; R360-T487 PolarHBondContact NH1-O 3.24Å; R360-T487 VanDerWaalsContact NH1-O 3.07Å; R360-T487 PolarHBondContact NH2-O 3.05Å; R360-E489 PolarHBondContact O-N 3.2Å; R360-F490 PolarHBondContact O-N 2.93Å
361V86.1Confident81.7Confident0 Ų035.1 Ų35.10%020%0.195CC..EExtended strand (participates in β ladder)trans-121.5133.5-175.5-172.10000109.9L359 I363 Y459 V460 L461 F490 L492L359-V361 HydrophobicContact CD2-CG2 3.73Å; L359-V361 HydrophobicContact CG-CG2 3.81Å; V361-I363 HydrophobicContact CG1-CG1 4.23Å; V361-Y459 PolarHBondContact N-O 3.49Å; V361-V460 HydrophobicContact CB-CG2 4.35Å; V361-V460 CarbonylContact O-C 3.53Å; V361-V460 VanDerWaalsContact O-CA 3.3Å; V361-V460 WeakPolarHBondContact O-CA 3.47Å; V361-L461 PolarHBondContact O-N 3.39Å; V361-F490 CarbonylContact C-O 3.59Å; V361-F490 WeakPolarHBondContact CA-O 3.39Å; V361-F490 HydrophobicContact CG1-CB 4.36Å; V361-F490 HydrophobicContact CG2-CB 4.35Å; V361-L492 HydrophobicContact CG1-CD1 3.95Å; V361-L492 HydrophobicContact CG1-CG 4.15Å
362C88.4Confident81.7Confident0 Ų036.4 Ų36.40%021%0.207CC..EExtended strand (participates in β ladder)trans-113.3131.1170.3178.90000109.4L461 F464 P488 F490 V491 L492C362-L461 HydrophobicContact CB-CB 4.48Å; C362-F464 PolarHBondContact SG-O 2.94Å; C362-F464 VanDerWaalsContact SG-O 3.4Å; C362-P488 HydrophobicContact CB-CB 3.85Å; C362-P488 HydrophobicContact CB-CG 3.94Å; C362-F490 PolarHBondContact N-O 2.86Å; C362-V491 HydrophobicContact CB-CG2 4.33Å; C362-V491 CarbonylContact O-C 3.57Å; C362-V491 WeakPolarHBondContact O-CA 3.33Å; C362-L492 PolarHBondContact O-N 2.86Å
363I86.5Confident81.6Confident0 Ų032.9 Ų32.90%019%0.191CC..EExtended strand (participates in β ladder)trans-115116.3-179.9-62.7158.7000109.5V361 K371 L374 S375 I378 V460 L461 A463 L492 L494V361-I363 HydrophobicContact CG1-CG1 4.23Å; I363-K371 HydrophobicContact CG2-CB 3.97Å; I363-K371 HydrophobicContact CG2-CD 4.46Å; I363-K371 HydrophobicContact CG2-CG 4.03Å; I363-L374 HydrophobicContact CD1-CD2 3.93Å; I363-L374 HydrophobicContact CG1-CD2 4.19Å; I363-L374 HydrophobicContact CG2-CD2 4.13Å; I363-S375 WeakPolarHBondContact CD1-OG 3.05Å; I363-I378 HydrophobicContact CD1-CD1 3.99Å; I363-V460 HydrophobicContact CD1-CG1 3.46Å; I363-V460 VanDerWaalsContact CD1-CG1 3.46Å; I363-V460 HydrophobicContact CG1-CG1 4.33Å; I363-L461 PolarHBondContact N-O 2.87Å; I363-A463 PolarHBondContact O-N 2.68Å; I363-A463 VanDerWaalsContact O-N 3.09Å; I363-L492 WeakPolarHBondContact CA-O 3.37Å; I363-L492 HydrophobicContact CG1-CB 4.27Å; I363-L492 HydrophobicContact CG1-CD1 4.33Å; I363-L494 HydrophobicContact CG2-CD1 4.46Å
364L86.4Confident81.5Confident4 Ų430.4 Ų30.42%0.02117%0.173CC..EExtended strand (participates in β ladder)trans-115.8160.2-178.9-57.2178.3000110.5P465 V491 L492 V493 L494 V540 L541 F544L364-P465 VanDerWaalsContact CD2-O 3.29Å; L364-P465 WeakPolarHBondContact CD2-O 3.2Å; L364-V491 HydrophobicContact CD1-CG1 3.8Å; L364-V491 HydrophobicContact CG-CG1 4.36Å; L364-L492 PolarHBondContact N-O 2.91Å; L364-V493 HydrophobicContact CB-CG2 4.45Å; L364-V493 WeakPolarHBondContact O-CA 3.41Å; L364-L494 PolarHBondContact O-N 3.32Å; L364-V540 HydrophobicContact CD1-CG1 3.64Å; L364-L541 HydrophobicContact CD1-CD2 4.1Å; L364-F544 HydrophobicContact CD1-CE2 4.09Å
365G83.9Confident81.6Confident2 Ų224.6 Ų24.62%0.02115%0.151CC..  trans152.1171.2179.800000113.3K371 L494 Y530G365-K371 PolarHBondContact O-NZ 3.15Å; G365-L494 VanDerWaalsContact CA-O 3.28Å; G365-L494 WeakPolarHBondContact CA-O 3.33Å; G365-Y530 WeakPolarHBondContact CA-OH 3.44Å
366P83.4Confident81.9Confident5 Ų526.5 Ų26.53%0.03215%0.148CC..  trans-67.8159.2-177.427.5-31.8000112.2V369 K371 L494 L501 Y530P366-V369 HydrophobicContact CG-CB 4.17Å; P366-V369 HydrophobicContact CG-CG2 4.46Å; P366-V369 WeakPolarHBondContact O-CG1 2.68Å; P366-K371 VanDerWaalsContact C-NZ 3.32Å; P366-K371 PolarHBondContact O-NZ 3.37Å; P366-L494 WeakPolarHBondContact CD-O 3.36Å; P366-L501 HydrophobicContact CB-CD1 3.65Å; P366-L501 HydrophobicContact CG-CD1 3.7Å; P366-L501 HydrophobicContact CG-CD2 4.46Å; P366-Y530 HydrophobicContact CB-CD1 3.89Å; P366-Y530 HydrophobicContact CB-CE1 3.75Å; P366-Y530 HydrophobicContact CG-CE1 4.34Å
367P81.9Confident81.9Confident16 Ų1627 Ų2710%0.10415%0.149CC..THydrogen-bonded Turntrans-58151.4176.325.6-33.9000111.3V369 L501 Y518 F523 R526 L527P367-V369 PolarHBondContact O-N 3Å; P367-V369 VanDerWaalsContact O-N 3.12Å; P367-L501 WeakPolarHBondContact O-CD2 3.22Å; P367-Y518 HydrophobicContact CB-CE1 4.16Å; P367-F523 HydrophobicContact CB-CD2 4.24Å; P367-F523 HydrophobicContact CB-CE2 3.94Å; P367-F523 HydrophobicContact CG-CD2 4.26Å; P367-F523 HydrophobicContact CG-CE2 3.84Å; P367-R526 HydrophobicContact CG-CB 4.41Å; P367-L527 HydrophobicContact CG-CB 4.04Å
368A76.4Confident82.2Confident8 Ų821 Ų217%0.06612%0.118CC..THydrogen-bonded Turntrans63.42.4-179.300000118.1G370 R504 V505 Y518 F523A368-G370 PolarHBondContact O-N 3.41Å; A368-R504 VanDerWaalsContact O-CD 3.31Å; A368-R504 WeakPolarHBondContact O-CD 3.4Å; A368-R504 PolarHBondContact O-NE 3.47Å; A368-V505 HydrophobicContact CB-CG2 3.5Å; A368-V505 VanDerWaalsContact CB-CG2 3.5Å; A368-Y518 HydrophobicContact CB-CE1 4.45Å; A368-Y518 HydrophobicContact CB-CE2 4.3Å; A368-Y518 PolarHBondContact N-OH 3.28Å; A368-F523 HydrophobicContact CB-CE2 3.82Å; A368-F523 HydrophobicContact CB-CZ 4.42Å
369V79.2Confident82.4Confident1 Ų120.6 Ų20.61%0.00612%0.116CC..SBendtrans-69.3-15.918073.10000114.9P366 P367 K371 L494 A496 L501 R504 V557P366-V369 HydrophobicContact CG-CB 4.17Å; P366-V369 HydrophobicContact CG-CG2 4.46Å; P366-V369 WeakPolarHBondContact O-CG1 2.68Å; P367-V369 PolarHBondContact O-N 3Å; P367-V369 VanDerWaalsContact O-N 3.12Å; V369-K371 HydrophobicContact CG1-CD 4.36Å; V369-K371 HydrophobicContact CG1-CG 3.55Å; V369-L494 HydrophobicContact CG1-CB 3.88Å; V369-L494 HydrophobicContact CG1-CD1 3.9Å; V369-L494 HydrophobicContact CG2-CB 3.89Å; V369-L494 HydrophobicContact CG2-CD1 4.48Å; V369-A496 HydrophobicContact CG2-CB 3.75Å; V369-L501 HydrophobicContact CB-CD2 3.8Å; V369-L501 HydrophobicContact CG2-CD2 4.23Å; V369-R504 PolarHBondContact O-NH1 3.29Å; V369-V557 HydrophobicContact CG2-CG2 3.85Å
370G74.1Confident82.4Confident16 Ų1628.4 Ų28.417%0.16515%0.149CC..SBendtrans101.621-17800000115.3A368 T372 T373 L374A368-G370 PolarHBondContact O-N 3.41Å; G370-T372 PolarHBondContact O-N 3.35Å; G370-T373 WeakPolarHBondContact O-CB 3.4Å; G370-T373 PolarHBondContact O-N 3.03Å; G370-T373 VanDerWaalsContact O-N 3.12Å; G370-L374 PolarHBondContact O-N 3.33Å
371K82.9Confident81.9Confident23 Ų2330.8 Ų30.810%0.116%0.16CC..Hα-helixtrans-48.9-55.6177.2-63.2-175.6-68.4-85.40112.2I363 G365 P366 V369 T373 L374 S375 D462 A463 L494I363-K371 HydrophobicContact CG2-CB 3.97Å; I363-K371 HydrophobicContact CG2-CD 4.46Å; I363-K371 HydrophobicContact CG2-CG 4.03Å; G365-K371 PolarHBondContact O-NZ 3.15Å; P366-K371 VanDerWaalsContact C-NZ 3.32Å; P366-K371 PolarHBondContact O-NZ 3.37Å; V369-K371 HydrophobicContact CG1-CD 4.36Å; V369-K371 HydrophobicContact CG1-CG 3.55Å; K371-T373 VanDerWaalsContact C-N 3.26Å; K371-T373 PolarHBondContact O-N 3.39Å; K371-L374 CarbonylContact O-C 3.54Å; K371-L374 WeakPolarHBondContact O-CA 3.26Å; K371-L374 WeakPolarHBondContact O-CB 3.39Å; K371-L374 PolarHBondContact O-N 3.07Å; K371-S375 PolarHBondContact O-N 3.02Å; K371-S375 PolarHBondContact O-OG 2.95Å; K371-D462 WeakPolarHBondContact CB-OD1 3.08Å; K371-A463 HydrophobicContact CD-CB 4.15Å; K371-L494 HydrophobicContact CG-CD1 4.06Å
372T82.9Confident81.4Confident66 Ų6633.6 Ų33.641%0.40517%0.171SC..Hα-helixtrans-59-36.2-179.5-50.80000113G370 S375 L376 D462G370-T372 PolarHBondContact O-N 3.35Å; T372-S375 PolarHBondContact O-N 3.48Å; T372-L376 HydrophobicContact CG2-CD1 4.17Å; T372-L376 HydrophobicContact CG2-CG 4.46Å; T372-L376 WeakPolarHBondContact O-CB 3.44Å; T372-L376 VanDerWaalsContact O-CG 3.25Å; T372-L376 WeakPolarHBondContact O-CG 3.28Å; T372-L376 PolarHBondContact O-N 3.19Å; T372-D462 WeakPolarHBondContact CA-OD2 2.75Å; T372-D462 VanDerWaalsContact CB-OD2 3.26Å; T372-D462 WeakPolarHBondContact CB-OD2 3.14Å; T372-D462 WeakPolarHBondContact CG2-OD2 3.44Å; T372-D462 PolarHBondContact N-OD1 3.03Å; T372-D462 PolarHBondContact OG1-OD2 3.33Å
373T81.8Confident80.8Confident59 Ų5938.3 Ų38.336%0.36219%0.191SC..Hα-helixtrans-64.6-43.8174.8-48.20000111.4G370 K371 Q377G370-T373 WeakPolarHBondContact O-CB 3.4Å; G370-T373 PolarHBondContact O-N 3.03Å; G370-T373 VanDerWaalsContact O-N 3.12Å; K371-T373 VanDerWaalsContact C-N 3.26Å; K371-T373 PolarHBondContact O-N 3.39Å; T373-Q377 VanDerWaalsContact O-CG 3.26Å; T373-Q377 WeakPolarHBondContact O-CG 3.45Å; T373-Q377 PolarHBondContact O-N 3.26Å; T373-Q377 VanDerWaalsContact O-N 3.15Å
374L79.8Confident80.7Confident6 Ų639 Ų393%0.03120%0.195CC..Hα-helixtrans-63.6-47.6174.5-170.591.3000110.9I363 G370 K371 L376 Q377 I378 L492 L494 L563 C564 A567I363-L374 HydrophobicContact CD1-CD2 3.93Å; I363-L374 HydrophobicContact CG1-CD2 4.19Å; I363-L374 HydrophobicContact CG2-CD2 4.13Å; G370-L374 PolarHBondContact O-N 3.33Å; K371-L374 CarbonylContact O-C 3.54Å; K371-L374 WeakPolarHBondContact O-CA 3.26Å; K371-L374 WeakPolarHBondContact O-CB 3.39Å; K371-L374 PolarHBondContact O-N 3.07Å; L374-L376 PolarHBondContact O-N 3.48Å; L374-Q377 PolarHBondContact O-N 2.94Å; L374-Q377 VanDerWaalsContact O-N 3.11Å; L374-I378 HydrophobicContact CD2-CD1 3.91Å; L374-I378 HydrophobicContact CG-CD1 3.86Å; L374-I378 WeakPolarHBondContact O-CG1 3.33Å; L374-I378 PolarHBondContact O-N 3.4Å; L374-L492 HydrophobicContact CD2-CD1 4.28Å; L374-L494 HydrophobicContact CD2-CD1 4.41Å; L374-L494 HydrophobicContact CD2-CD2 4.36Å; L374-L563 HydrophobicContact CD1-CD2 4.48Å; L374-C564 HydrophobicContact CD1-CB 4.49Å; L374-A567 HydrophobicContact CD1-CB 4.24Å
375S83.9Confident80.6Confident0 Ų040.9 Ų40.90%020%0.204CC..Hα-helixtrans-54.8-50.1179.1-54.40000111.1I363 K371 T372 Q377 I378 C379 D462I363-S375 WeakPolarHBondContact CD1-OG 3.05Å; K371-S375 PolarHBondContact O-N 3.02Å; K371-S375 PolarHBondContact O-OG 2.95Å; T372-S375 PolarHBondContact O-N 3.48Å; S375-Q377 VanDerWaalsContact C-N 3.33Å; S375-Q377 PolarHBondContact O-N 2.95Å; S375-I378 PolarHBondContact O-N 2.95Å; S375-C379 WeakPolarHBondContact O-CB 3.5Å; S375-C379 PolarHBondContact O-N 3.13Å; S375-C379 PolarHBondContact O-SG 3.3Å; S375-D462 PolarHBondContact OG-OD1 3.45Å
376L83.9Confident80.8Confident94 Ų9443 Ų4349%0.49221%0.213SC..Hα-helixtrans-62.8-37.4177.6-72171.4000112.8T372 L374 K380T372-L376 HydrophobicContact CG2-CD1 4.17Å; T372-L376 HydrophobicContact CG2-CG 4.46Å; T372-L376 WeakPolarHBondContact O-CB 3.44Å; T372-L376 VanDerWaalsContact O-CG 3.25Å; T372-L376 WeakPolarHBondContact O-CG 3.28Å; T372-L376 PolarHBondContact O-N 3.19Å; L374-L376 PolarHBondContact O-N 3.48Å; L376-K380 WeakPolarHBondContact O-CB 3.3Å; L376-K380 PolarHBondContact O-N 3.15Å
377Q78.6Confident80.9Confident57 Ų5742.8 Ų42.827%0.26621%0.212SC..Hα-helixtrans-68.6-39.4177-73.6177.71.100112.2T373 L374 S375 K380 K381 C564T373-Q377 VanDerWaalsContact O-CG 3.26Å; T373-Q377 WeakPolarHBondContact O-CG 3.45Å; T373-Q377 PolarHBondContact O-N 3.26Å; T373-Q377 VanDerWaalsContact O-N 3.15Å; L374-Q377 PolarHBondContact O-N 2.94Å; L374-Q377 VanDerWaalsContact O-N 3.11Å; S375-Q377 VanDerWaalsContact C-N 3.33Å; S375-Q377 PolarHBondContact O-N 2.95Å; Q377-K380 PolarHBondContact O-N 3.37Å; Q377-K381 PolarHBondContact O-N 2.91Å; Q377-C564 PolarHBondContact OE1-SG 3.47Å
378I79.3Confident81.1Confident3 Ų343 Ų432%0.01521%0.213CC..Hα-helixtrans-65.6-48.1174.9-69.3170.8000109.6I363 L374 S375 K380 K381 Y382 L384 V460 L492 I571I363-I378 HydrophobicContact CD1-CD1 3.99Å; L374-I378 HydrophobicContact CD2-CD1 3.91Å; L374-I378 HydrophobicContact CG-CD1 3.86Å; L374-I378 WeakPolarHBondContact O-CG1 3.33Å; L374-I378 PolarHBondContact O-N 3.4Å; S375-I378 PolarHBondContact O-N 2.95Å; I378-K380 VanDerWaalsContact C-N 3.28Å; I378-K380 PolarHBondContact O-N 3.36Å; I378-K381 PolarHBondContact O-N 2.86Å; I378-Y382 HydrophobicContact CG2-CD2 3.88Å; I378-Y382 HydrophobicContact CG2-CE2 4.33Å; I378-Y382 WeakPolarHBondContact O-CD2 3.41Å; I378-Y382 PolarHBondContact O-N 3.28Å; I378-L384 HydrophobicContact CG2-CD1 4.27Å; I378-V460 HydrophobicContact CB-CG2 4.49Å; I378-V460 HydrophobicContact CG2-CG2 3.77Å; I378-L492 HydrophobicContact CD1-CD1 4.01Å; I378-I571 HydrophobicContact CD1-CD1 4.31Å
379C83.4Confident81.3Confident12 Ų1244.3 Ų44.38%0.08122%0.218CC..Hα-helixtrans-56.8-41.6175.4-68.60000112.2S375 K383 L384 H386 V460S375-C379 WeakPolarHBondContact O-CB 3.5Å; S375-C379 PolarHBondContact O-N 3.13Å; S375-C379 PolarHBondContact O-SG 3.3Å; C379-K383 CarbonylContact O-C 3.58Å; C379-K383 WeakPolarHBondContact O-CA 3.27Å; C379-K383 PolarHBondContact O-N 3.04Å; C379-L384 WeakPolarHBondContact CB-O 3.47Å; C379-L384 PolarHBondContact O-N 2.93Å; C379-H386 HydrophobicContact CB-CB 4.47Å; C379-V460 VanDerWaalsContact SG-CB 3.59Å; C379-V460 WeakPolarHBondContact SG-CG2 3.46Å
380K80.9Confident81.3Confident183 Ų18351 Ų5180%0.79624%0.243SC*.Hα-helixtrans-68.5-38.6178.3-172.1175.9-178.1177.40113.2L376 Q377 I378L376-K380 WeakPolarHBondContact O-CB 3.3Å; L376-K380 PolarHBondContact O-N 3.15Å; Q377-K380 PolarHBondContact O-N 3.37Å; I378-K380 VanDerWaalsContact C-N 3.28Å; I378-K380 PolarHBondContact O-N 3.36Å
381K76.6Confident81.6Confident91 Ų9153.8 Ų53.840%0.39626%0.255SS..Hα-helixtrans-71-47.6-178.8-174.2-173174-155.50111.2Q377 I378 R568 D572Q377-K381 PolarHBondContact O-N 2.91Å; I378-K381 PolarHBondContact O-N 2.86Å; K381-R568 HydrophobicContact CD-CG 4.1Å; K381-D572 IonicContact NZ-OD1 3.58Å; K381-D572 PolarHBondContact NZ-OD1 2.82Å; K381-D572 IonicContact NZ-OD2 2.7Å; K381-D572 PolarHBondContact NZ-OD2 2.8Å
382Y75.3Confident81.5Confident59 Ų5953.2 Ų53.223%0.23125%0.253CS..Hα-helixtrans-97.13.3-173.9-61.9-71.4000113.5L359 I378 L384 I571 D572L359-Y382 HydrophobicContact CD2-CD2 4.23Å; L359-Y382 HydrophobicContact CD2-CG 4.31Å; I378-Y382 HydrophobicContact CG2-CD2 3.88Å; I378-Y382 HydrophobicContact CG2-CE2 4.33Å; I378-Y382 WeakPolarHBondContact O-CD2 3.41Å; I378-Y382 PolarHBondContact O-N 3.28Å; Y382-L384 VanDerWaalsContact C-N 3.34Å; Y382-L384 PolarHBondContact O-N 3.49Å; Y382-I571 HydrophobicContact CE1-CG2 4.25Å; Y382-I571 HydrophobicContact CE2-CD1 4.21Å; Y382-I571 HydrophobicContact CE2-CG2 3.92Å; Y382-I571 WeakPolarHBondContact OH-CG2 3.09Å; Y382-D572 PolarHBondContact OH-OD1 2.79Å
383K76.8Confident81.3Confident99 Ų9950.4 Ų50.443%0.4324%0.236SC..THydrogen-bonded Turntrans52.449.5-175.5-61.2-177.3168.3-166.90112E227 C379 Q457E227-K383 IonicContact OE1-NZ 2.88Å; E227-K383 PolarHBondContact OE1-NZ 3.5Å; C379-K383 CarbonylContact O-C 3.58Å; C379-K383 WeakPolarHBondContact O-CA 3.27Å; C379-K383 PolarHBondContact O-N 3.04Å; K383-Q457 PolarHBondContact O-OE1 3.31Å
384L83.4Confident81.3Confident16 Ų1653.7 Ų53.78%0.08424%0.242CC..PPolyproline II helixtrans-100.1161.4-179.3-56.5171.4000111.9L359 I378 C379 Y382 Q457 V460L359-L384 HydrophobicContact CB-CD1 4.06Å; L359-L384 HydrophobicContact CB-CD2 4.12Å; L359-L384 HydrophobicContact CD2-CD1 3.8Å; L359-L384 HydrophobicContact CG-CD1 4.39Å; I378-L384 HydrophobicContact CG2-CD1 4.27Å; C379-L384 WeakPolarHBondContact CB-O 3.47Å; C379-L384 PolarHBondContact O-N 2.93Å; Y382-L384 VanDerWaalsContact C-N 3.34Å; Y382-L384 PolarHBondContact O-N 3.49Å; L384-Q457 WeakPolarHBondContact CD2-O 3.36Å; L384-V460 HydrophobicContact CB-CG2 4.14Å; L384-V460 HydrophobicContact CD1-CG2 3.78Å
385H84.5Confident81.4Confident43 Ų4358.9 Ų58.920%0.19927%0.265CS..EExtended strand (participates in β ladder)trans-82.2122.9174.2-61.3-65.5000111.4Q453 Q457 Y459 V460H385-Q453 WeakPolarHBondContact NE2-CB 3.36Å; H385-Q457 PolarHBondContact NE2-OE1 3.48Å; H385-Y459 WeakPolarHBondContact O-CA 3.28Å; H385-V460 PolarHBondContact O-N 2.69Å
386H86.9Confident81.2Confident46 Ų4659.7 Ų59.721%0.21327%0.272CS..EExtended strand (participates in β ladder)trans-80.3123.2172.5-178.6-129.5000109.6C379 T388 D462C379-H386 HydrophobicContact CB-CB 4.47Å; H386-T388 WeakPolarHBondContact CE1-CG2 3.37Å; H386-T388 WeakPolarHBondContact NE2-CG2 3.27Å; H386-D462 IonicContact CE1-OD2 3.64Å; H386-D462 VanDerWaalsContact NE2-CB 3.34Å; H386-D462 WeakPolarHBondContact NE2-CB 3.45Å; H386-D462 IonicContact NE2-OD2 2.78Å; H386-D462 PolarHBondContact NE2-OD2 2.69Å
387I87.4Confident81Confident1 Ų156 Ų561%0.00525%0.252CS..EExtended strand (participates in β ladder)trans-117.1115.1-178.7-59.3-174.5000108.4T392 L445 K448 M449 Y459 V460 L461 D462I387-T392 HydrophobicContact CG2-CG2 3.85Å; I387-L445 HydrophobicContact CG2-CD1 3.33Å; I387-K448 HydrophobicContact CD1-CG 4.47Å; I387-M449 HydrophobicContact CD1-CG 3.89Å; I387-Y459 VanDerWaalsContact CD1-CB 3.49Å; I387-Y459 HydrophobicContact CD1-CD2 4.09Å; I387-Y459 HydrophobicContact CD1-CG 3.84Å; I387-V460 PolarHBondContact N-O 2.99Å; I387-L461 HydrophobicContact CB-CD1 4.17Å; I387-L461 HydrophobicContact CG2-CD1 3.73Å; I387-D462 PolarHBondContact O-N 3.21Å
388T85.5Confident81.1Confident21 Ų2156.2 Ų56.213%0.12926%0.263CS..  trans-124.3141.4168.556.20000109H386 R390 D391 T392 D462H386-T388 WeakPolarHBondContact CE1-CG2 3.37Å; H386-T388 WeakPolarHBondContact NE2-CG2 3.27Å; T388-R390 VanDerWaalsContact C-N 3.29Å; T388-R390 PolarHBondContact O-N 3.49Å; T388-D391 PolarHBondContact O-N 2.66Å; T388-D391 WeakPolarHBondContact OG1-CB 3.47Å; T388-D391 PolarHBondContact OG1-N 3.03Å; T388-D391 PolarHBondContact OG1-OD2 3.14Å; T388-T392 PolarHBondContact O-N 2.69Å; T388-T392 PolarHBondContact O-OG1 2.78Å; T388-D462 HydrophobicContact CG2-CB 3.79Å
389L79.6Confident81.1Confident34 Ų3462 Ų6218%0.17829%0.291CS..Hα-helixtrans-55.6-41.6-175.9-155.4147.3000112.8T392 I393 L437 F464L389-T392 WeakPolarHBondContact CA-OG1 3.28Å; L389-T392 PolarHBondContact O-OG1 3.48Å; L389-I393 HydrophobicContact CD2-CD1 3.53Å; L389-I393 WeakPolarHBondContact O-CD1 3.29Å; L389-I393 WeakPolarHBondContact O-CG1 3.4Å; L389-I393 PolarHBondContact O-N 3.15Å; L389-L437 HydrophobicContact CD1-CD1 3.79Å; L389-L437 HydrophobicContact CD1-CD2 4.1Å; L389-L437 HydrophobicContact CD2-CD2 3.94Å; L389-F464 HydrophobicContact CD1-CD1 4.16Å; L389-F464 HydrophobicContact CD1-CD2 3.6Å; L389-F464 HydrophobicContact CD1-CE1 4.11Å; L389-F464 HydrophobicContact CD1-CE2 3.62Å; L389-F464 HydrophobicContact CD1-CG 3.92Å; L389-F464 HydrophobicContact CD1-CZ 3.88Å
390R79.3Confident80.9Confident141 Ų14162.8 Ų62.853%0.53229%0.294SS..Hα-helixtrans-65.7-55.6177.3-70.1-177.4176.7174.8-6.4112.2T388 T392 I393 Y394T388-R390 VanDerWaalsContact C-N 3.29Å; T388-R390 PolarHBondContact O-N 3.49Å; R390-T392 VanDerWaalsContact C-N 3.27Å; R390-T392 PolarHBondContact O-N 2.82Å; R390-I393 PolarHBondContact O-N 2.69Å; R390-I393 VanDerWaalsContact O-N 3.17Å; R390-Y394 HydrophobicContact CB-CD2 4.36Å; R390-Y394 HydrophobicContact CB-CE2 4.23Å; R390-Y394 WeakPolarHBondContact O-CD2 3.44Å; R390-Y394 PolarHBondContact O-N 3.29Å
391D81Confident80.9Confident75 Ų7557.8 Ų57.840%0.40127%0.273SS..Hα-helixtrans-63.1-34.2-176.8-64.32.3000112.4T388 K395T388-D391 PolarHBondContact O-N 2.66Å; T388-D391 WeakPolarHBondContact OG1-CB 3.47Å; T388-D391 PolarHBondContact OG1-N 3.03Å; T388-D391 PolarHBondContact OG1-OD2 3.14Å; D391-K395 VanDerWaalsContact O-CB 3.29Å; D391-K395 WeakPolarHBondContact O-CB 3.5Å; D391-K395 WeakPolarHBondContact O-CG 3.43Å; D391-K395 PolarHBondContact O-N 3.35Å
392T80.8Confident81Confident12 Ų1255.1 Ų55.17%0.07427%0.272CS..Hα-helixtrans-65.9-41.8176.344.90000112I387 T388 L389 R390 A396 L445 K448I387-T392 HydrophobicContact CG2-CG2 3.85Å; T388-T392 PolarHBondContact O-N 2.69Å; T388-T392 PolarHBondContact O-OG1 2.78Å; L389-T392 WeakPolarHBondContact CA-OG1 3.28Å; L389-T392 PolarHBondContact O-OG1 3.48Å; R390-T392 VanDerWaalsContact C-N 3.27Å; R390-T392 PolarHBondContact O-N 2.82Å; T392-A396 VanDerWaalsContact O-CB 3.29Å; T392-A396 WeakPolarHBondContact O-CB 3.33Å; T392-A396 PolarHBondContact O-N 2.86Å; T392-L445 HydrophobicContact CG2-CD1 4.23Å; T392-K448 HydrophobicContact CG2-CB 4.31Å; T392-K448 HydrophobicContact CG2-CG 3.94Å
393I79.2Confident81Confident6 Ų655.9 Ų55.93%0.03128%0.279CS..Hα-helixtrans-65.7-49.5177.3-67.9168.9000109.9L389 R390 K395 A396 M397 M429 Q441L389-I393 HydrophobicContact CD2-CD1 3.53Å; L389-I393 WeakPolarHBondContact O-CD1 3.29Å; L389-I393 WeakPolarHBondContact O-CG1 3.4Å; L389-I393 PolarHBondContact O-N 3.15Å; R390-I393 PolarHBondContact O-N 2.69Å; R390-I393 VanDerWaalsContact O-N 3.17Å; I393-K395 VanDerWaalsContact C-N 3.32Å; I393-K395 PolarHBondContact O-N 3.17Å; I393-A396 PolarHBondContact O-N 3.42Å; I393-M397 HydrophobicContact CG2-CG 4.28Å; I393-M397 HydrophobicContact CG2-SD 3.72Å; I393-M397 WeakPolarHBondContact O-CB 3.26Å; I393-M397 VanDerWaalsContact O-CG 3.24Å; I393-M397 WeakPolarHBondContact O-CG 3.45Å; I393-M397 PolarHBondContact O-N 2.96Å; I393-M429 HydrophobicContact CG2-SD 4.49Å; I393-Q441 HydrophobicContact CD1-CB 4.09Å; I393-Q441 HydrophobicContact CD1-CG 3.85Å
394Y81.3Confident81Confident128 Ų12853.3 Ų53.350%0.50227%0.271SS..Hα-helixtrans-61.1-39.6179.4-73.9-60.2000112.9R390 A398 M429R390-Y394 HydrophobicContact CB-CD2 4.36Å; R390-Y394 HydrophobicContact CB-CE2 4.23Å; R390-Y394 WeakPolarHBondContact O-CD2 3.44Å; R390-Y394 PolarHBondContact O-N 3.29Å; Y394-A398 WeakPolarHBondContact O-CB 3.43Å; Y394-A398 PolarHBondContact O-N 3.43Å; Y394-M429 HydrophobicContact CE1-CE 4.33Å
395K81.8Confident80.7Confident115 Ų11559.3 Ų59.350%0.530%0.297SS..Hα-helixtrans-66.1-45.8175.4-74.9171.6-175.21690111.6D391 I393 M397 A398 E399D391-K395 VanDerWaalsContact O-CB 3.29Å; D391-K395 WeakPolarHBondContact O-CB 3.5Å; D391-K395 WeakPolarHBondContact O-CG 3.43Å; D391-K395 PolarHBondContact O-N 3.35Å; I393-K395 VanDerWaalsContact C-N 3.32Å; I393-K395 PolarHBondContact O-N 3.17Å; K395-M397 VanDerWaalsContact C-N 3.32Å; K395-M397 PolarHBondContact O-N 3.39Å; K395-A398 PolarHBondContact O-N 3.4Å; K395-E399 WeakPolarHBondContact O-CG 3.3Å; K395-E399 PolarHBondContact O-N 2.91Å
396A79.8Confident80.1Confident18 Ų1863.8 Ų63.815%0.14932%0.322CS..Hα-helixtrans-60.2-42.7176.700000111.5T392 I393 A398 E399 L400 V444T392-A396 VanDerWaalsContact O-CB 3.29Å; T392-A396 WeakPolarHBondContact O-CB 3.33Å; T392-A396 PolarHBondContact O-N 2.86Å; I393-A396 PolarHBondContact O-N 3.42Å; A396-A398 PolarHBondContact O-N 3.37Å; A396-E399 PolarHBondContact O-N 2.94Å; A396-L400 WeakPolarHBondContact O-CB 3.18Å; A396-L400 WeakPolarHBondContact O-CG 3.41Å; A396-L400 PolarHBondContact O-N 2.93Å; A396-V444 HydrophobicContact CB-CG1 3.6Å
397M79.3Confident79.1Confident17 Ų1765 Ų658%0.08433%0.334CS..Hα-helixtrans-61.5-44.2175-69.3172.971.900111.9I393 K395 E399 L400 E401 L425 N426I393-M397 HydrophobicContact CG2-CG 4.28Å; I393-M397 HydrophobicContact CG2-SD 3.72Å; I393-M397 WeakPolarHBondContact O-CB 3.26Å; I393-M397 VanDerWaalsContact O-CG 3.24Å; I393-M397 WeakPolarHBondContact O-CG 3.45Å; I393-M397 PolarHBondContact O-N 2.96Å; K395-M397 VanDerWaalsContact C-N 3.32Å; K395-M397 PolarHBondContact O-N 3.39Å; M397-E399 VanDerWaalsContact C-N 3.35Å; M397-E399 PolarHBondContact O-N 3.28Å; M397-L400 PolarHBondContact O-N 3.49Å; M397-E401 WeakPolarHBondContact O-CG 3.03Å; M397-E401 PolarHBondContact O-N 2.7Å; M397-L425 HydrophobicContact CG-CB 4.35Å; M397-L425 HydrophobicContact CG-CD1 4.24Å; M397-N426 WeakPolarHBondContact CE-OD1 3.39Å
398A82.2Confident78Confident61 Ų6170.4 Ų70.450%0.50436%0.363SS..Hα-helixtrans-64.6-37.8177.900000112.8Y394 K395 A396 G402Y394-A398 WeakPolarHBondContact O-CB 3.43Å; Y394-A398 PolarHBondContact O-N 3.43Å; K395-A398 PolarHBondContact O-N 3.4Å; A396-A398 PolarHBondContact O-N 3.37Å; A398-G402 PolarHBondContact O-N 3.46Å; A398-G402 VanDerWaalsContact O-N 3.08Å
399E79Confident76.9Confident125 Ų12574.5 Ų74.558%0.58439%0.39SS*.Hα-helixtrans-64.8-47.5174.5-73.4170.9-169.500111K395 A396 M397 E401 G402 I403K395-E399 WeakPolarHBondContact O-CG 3.3Å; K395-E399 PolarHBondContact O-N 2.91Å; A396-E399 PolarHBondContact O-N 2.94Å; M397-E399 VanDerWaalsContact C-N 3.35Å; M397-E399 PolarHBondContact O-N 3.28Å; E399-E401 PolarHBondContact O-N 2.82Å; E399-G402 PolarHBondContact O-N 3.46Å; E399-G402 VanDerWaalsContact O-N 3.09Å; E399-I403 WeakPolarHBondContact O-CG1 3.42Å; E399-I403 PolarHBondContact O-N 2.93Å; E399-I403 VanDerWaalsContact O-N 3.1Å
400L79.3Confident75.9Confident28 Ų2880.8 Ų80.815%0.14742%0.424CS..Hα-helixtrans-60.8-42.3175.9-69.2170.1000111.9A396 M397 G402 I403 V404 A418 L421 L422 L425A396-L400 WeakPolarHBondContact O-CB 3.18Å; A396-L400 WeakPolarHBondContact O-CG 3.41Å; A396-L400 PolarHBondContact O-N 2.93Å; M397-L400 PolarHBondContact O-N 3.49Å; L400-G402 VanDerWaalsContact C-N 3.26Å; L400-G402 PolarHBondContact O-N 3.46Å; L400-I403 PolarHBondContact O-N 2.89Å; L400-V404 WeakPolarHBondContact O-CG2 3.03Å; L400-V404 PolarHBondContact O-N 3.02Å; L400-A418 HydrophobicContact CD2-CB 3.67Å; L400-L421 HydrophobicContact CD1-CB 4.36Å; L400-L422 HydrophobicContact CB-CB 4.28Å; L400-L422 HydrophobicContact CB-CD1 3.74Å; L400-L422 HydrophobicContact CD1-CB 4.34Å; L400-L425 HydrophobicContact CD1-CD1 4.07Å
401E80.1Confident75.3Confident78 Ų7875.5 Ų75.536%0.36441%0.41SS..Hα-helixtrans-60-37.1173.2-79.4-169.4-160.800112.6M397 E399 V404 K405 L422M397-E401 WeakPolarHBondContact O-CG 3.03Å; M397-E401 PolarHBondContact O-N 2.7Å; E399-E401 PolarHBondContact O-N 2.82Å; E401-V404 PolarHBondContact O-N 3.32Å; E401-K405 WeakPolarHBondContact O-CB 3.16Å; E401-K405 VanDerWaalsContact O-CG 3.28Å; E401-K405 WeakPolarHBondContact O-CG 3.43Å; E401-K405 PolarHBondContact O-N 2.93Å; E401-K405 IonicContact OE2-NZ 2.7Å; E401-K405 PolarHBondContact OE2-NZ 3.3Å; E401-L422 HydrophobicContact CB-CD1 4.26Å; E401-L422 HydrophobicContact CG-CD1 3.54Å
402G77.7Confident74.7Confident35 Ų3579.2 Ų79.236%0.36143%0.425SS..Hα-helixtrans-64.1-44177.800000112A398 E399 L400 K405 N406A398-G402 PolarHBondContact O-N 3.46Å; A398-G402 VanDerWaalsContact O-N 3.08Å; E399-G402 PolarHBondContact O-N 3.46Å; E399-G402 VanDerWaalsContact O-N 3.09Å; L400-G402 VanDerWaalsContact C-N 3.26Å; L400-G402 PolarHBondContact O-N 3.46Å; G402-K405 PolarHBondContact O-N 3.4Å; G402-N406 PolarHBondContact O-N 2.99Å; G402-N406 VanDerWaalsContact O-N 3.1Å
403I75.3Confident74.2Confident75 Ų7586.3 Ų86.339%0.38546%0.458SS..Hα-helixtrans-63.8-42.8177.4-63.5165.5000110.6E399 L400 N406 A418E399-I403 WeakPolarHBondContact O-CG1 3.42Å; E399-I403 PolarHBondContact O-N 2.93Å; E399-I403 VanDerWaalsContact O-N 3.1Å; L400-I403 PolarHBondContact O-N 2.89Å; I403-N406 CarbonylContact O-C 3.55Å; I403-A418 HydrophobicContact CG2-CB 4.18Å
404V77.4Confident73.8Confident45 Ų4590 Ų9027%0.27348%0.48SS..Hα-helixtrans-64.4-40.5177.1168.80000112.1L400 E401 Q419L400-V404 WeakPolarHBondContact O-CG2 3.03Å; L400-V404 PolarHBondContact O-N 3.02Å; E401-V404 PolarHBondContact O-N 3.32Å; V404-Q419 HydrophobicContact CG2-CB 4.11Å
405K76.7Confident73.4Confident141 Ų14184.6 Ų84.661%0.61346%0.462SS*.Hα-helixtrans-73.3-30.5-177.6-76.1167.7-176.1156.70112.8E401 G402E401-K405 WeakPolarHBondContact O-CB 3.16Å; E401-K405 VanDerWaalsContact O-CG 3.28Å; E401-K405 WeakPolarHBondContact O-CG 3.43Å; E401-K405 PolarHBondContact O-N 2.93Å; E401-K405 IonicContact OE2-NZ 2.7Å; E401-K405 PolarHBondContact OE2-NZ 3.3Å; G402-K405 PolarHBondContact O-N 3.4Å
406N72.2Confident73.1Confident137 Ų13782.1 Ų82.173%0.73346%0.463SS*.SBendtrans-130.272.7-179.7-63.9-43000110.9G402 I403 D408G402-N406 PolarHBondContact O-N 2.99Å; G402-N406 VanDerWaalsContact O-N 3.1Å; I403-N406 CarbonylContact O-C 3.55Å; N406-D408 PolarHBondContact O-N 3.44Å
407P65.4Low72.9Confident71 Ų7187.2 Ų87.246%0.46148%0.484SS..  trans-68.7134.1178.127.3-32.2000110.4A415P407-A415 HydrophobicContact CB-CB 4.04Å
408D65.4Low72.7Confident116 Ų11686.7 Ų86.762%0.6248%0.482SS*.  trans-67.4132170.3-141.3-9.7000108.1N406 D410 A411N406-D408 PolarHBondContact O-N 3.44Å; D408-D410 PolarHBondContact O-N 2.83Å; D408-A411 HydrophobicContact CB-CB 4.07Å; D408-A411 PolarHBondContact O-N 3.17Å
409P61.3Low72.5Confident107 Ų10786.9 Ų86.970%0.69547%0.472SS*.THydrogen-bonded Turntrans-58-18.5-174.817.8-32.7000115.4
410D60.6Low72.5Confident165 Ų16587.5 Ų87.588%0.88248%0.475SS*.THydrogen-bonded Turntrans-100.21.1178.4-64.6-36.1000113.6D408D408-D410 PolarHBondContact O-N 2.83Å
411A66.4Low72.4Confident31 Ų3190.3 Ų90.326%0.25649%0.49SS..  trans-128.739.5-171.900000114.2D408 E413 V414 A415D408-A411 HydrophobicContact CB-CB 4.07Å; D408-A411 PolarHBondContact O-N 3.17Å; A411-E413 VanDerWaalsContact C-N 3.26Å; A411-E413 PolarHBondContact O-N 2.91Å; A411-V414 HydrophobicContact CB-CB 4.29Å; A411-V414 HydrophobicContact CB-CG2 4.2Å; A411-V414 PolarHBondContact O-N 3.46Å; A411-A415 PolarHBondContact O-N 3.03Å
412E67.9Low72.3Confident153 Ų15387.1 Ų87.172%0.71548%0.475SS*.Hα-helixtrans-59.6-32.9178.5-72-172.6162.500113.3A415 A416E412-A415 PolarHBondContact O-N 3.41Å; E412-A416 PolarHBondContact O-N 3.3Å; E412-A416 VanDerWaalsContact O-N 3.13Å
413E70.7Confident72.3Confident161 Ų16189 Ų8975%0.75248%0.477SS*.Hα-helixtrans-64.9-41.1176.3-72.1-173.8159.900112A411 A415 A416 E417A411-E413 VanDerWaalsContact C-N 3.26Å; A411-E413 PolarHBondContact O-N 2.91Å; E413-A415 VanDerWaalsContact C-N 3.32Å; E413-A415 PolarHBondContact O-N 3.35Å; E413-A416 PolarHBondContact O-N 2.97Å; E413-E417 PolarHBondContact O-N 2.72Å
414V70.9Confident72.5Confident82 Ų8287.6 Ų87.650%0.49747%0.472SS..Hα-helixtrans-66.5-37.1179.2-177.40000111A411 A416 A418A411-V414 HydrophobicContact CB-CB 4.29Å; A411-V414 HydrophobicContact CB-CG2 4.2Å; A411-V414 PolarHBondContact O-N 3.46Å; V414-A416 VanDerWaalsContact C-N 3.34Å; V414-A418 VanDerWaalsContact O-CB 3.26Å; V414-A418 WeakPolarHBondContact O-CB 3.15Å; V414-A418 PolarHBondContact O-N 3.4Å
415A72.6Confident72.3Confident15 Ų1585.8 Ų85.812%0.12446%0.461CS..Hα-helixtrans-67.3-35.3175.500000112.3P407 A411 E412 E413 Q419P407-A415 HydrophobicContact CB-CB 4.04Å; A411-A415 PolarHBondContact O-N 3.03Å; E412-A415 PolarHBondContact O-N 3.41Å; E413-A415 VanDerWaalsContact C-N 3.32Å; E413-A415 PolarHBondContact O-N 3.35Å; A415-Q419 WeakPolarHBondContact O-CB 3.19Å; A415-Q419 PolarHBondContact O-N 2.99Å
416A74.1Confident72.2Confident63 Ų6382 Ų8252%0.52145%0.448SS..Hα-helixtrans-68.9-4417600000112.1E412 E413 V414 Q419 E420E412-A416 PolarHBondContact O-N 3.3Å; E412-A416 VanDerWaalsContact O-N 3.13Å; E413-A416 PolarHBondContact O-N 2.97Å; V414-A416 VanDerWaalsContact C-N 3.34Å; A416-Q419 PolarHBondContact O-N 2.7Å; A416-E420 PolarHBondContact O-N 3.16Å; A416-E420 VanDerWaalsContact O-N 3.07Å
417E76Confident72.2Confident126 Ų12682.1 Ų82.159%0.58944%0.443SS*.Hα-helixtrans-62.7-42.4174.5-70.2-178.9177.900111.7E413 Q419 E420 L421E413-E417 PolarHBondContact O-N 2.72Å; E417-Q419 VanDerWaalsContact C-N 3.3Å; E417-Q419 PolarHBondContact O-N 3.43Å; E417-E420 PolarHBondContact O-N 3.38Å; E417-L421 WeakPolarHBondContact O-CG 3.29Å; E417-L421 PolarHBondContact O-N 3.4Å
418A75.2Confident72.2Confident5 Ų579 Ų794%0.04142%0.424CS..Hα-helixtrans-61.3-39176.100000112.1L400 I403 V414 L422L400-A418 HydrophobicContact CD2-CB 3.67Å; I403-A418 HydrophobicContact CG2-CB 4.18Å; V414-A418 VanDerWaalsContact O-CB 3.26Å; V414-A418 WeakPolarHBondContact O-CB 3.15Å; V414-A418 PolarHBondContact O-N 3.4Å; A418-L422 WeakPolarHBondContact O-CB 3.22Å; A418-L422 PolarHBondContact O-N 2.79Å
419Q77.5Confident72Confident66 Ų6676.7 Ų76.731%0.30841%0.41SS..Hα-helixtrans-66.9-39.6176.5-174.962.36200112.4V404 A415 A416 E417 L422 N423V404-Q419 HydrophobicContact CG2-CB 4.11Å; A415-Q419 WeakPolarHBondContact O-CB 3.19Å; A415-Q419 PolarHBondContact O-N 2.99Å; A416-Q419 PolarHBondContact O-N 2.7Å; E417-Q419 VanDerWaalsContact C-N 3.3Å; E417-Q419 PolarHBondContact O-N 3.43Å; Q419-L422 PolarHBondContact O-N 3.47Å; Q419-N423 PolarHBondContact NE2-OD1 2.82Å; Q419-N423 PolarHBondContact O-N 3.37Å; Q419-N423 PolarHBondContact O-ND2 2.84Å; Q419-N423 PolarHBondContact O-OD1 3.17Å
420E79.9Confident71.7Confident138 Ų13878.5 Ų78.565%0.64541%0.414SS*.Hα-helixtrans-64.8-49177.4-169.9175.3-174.900111A416 E417 L422 N423 T424A416-E420 PolarHBondContact O-N 3.16Å; A416-E420 VanDerWaalsContact O-N 3.07Å; E417-E420 PolarHBondContact O-N 3.38Å; E420-L422 VanDerWaalsContact C-N 3.29Å; E420-L422 PolarHBondContact O-N 3.34Å; E420-N423 WeakPolarHBondContact O-CB 3.48Å; E420-N423 PolarHBondContact O-N 3.08Å; E420-N423 VanDerWaalsContact O-N 3.15Å; E420-T424 PolarHBondContact O-N 3.14Å; E420-T424 PolarHBondContact O-OG1 3.34Å; E420-T424 VanDerWaalsContact O-OG1 3.05Å
421L76.8Confident71.4Confident87 Ų8772.9 Ų72.946%0.45539%0.387SS..Hα-helixtrans-59.1-40.4176.3-71.7171.6000112.2L400 E417 T424 L425L400-L421 HydrophobicContact CD1-CB 4.36Å; E417-L421 WeakPolarHBondContact O-CG 3.29Å; E417-L421 PolarHBondContact O-N 3.4Å; L421-T424 PolarHBondContact O-N 3.08Å; L421-L425 WeakPolarHBondContact O-CG 3.21Å; L421-L425 PolarHBondContact O-N 3.2Å
422L78.2Confident70.4Confident11 Ų1180.9 Ų80.96%0.05842%0.419CS..Hα-helixtrans-65.5-39.1177.6-174.1150.2000112L400 E401 A418 Q419 E420 L425 N426L400-L422 HydrophobicContact CB-CB 4.28Å; L400-L422 HydrophobicContact CB-CD1 3.74Å; L400-L422 HydrophobicContact CD1-CB 4.34Å; E401-L422 HydrophobicContact CB-CD1 4.26Å; E401-L422 HydrophobicContact CG-CD1 3.54Å; A418-L422 WeakPolarHBondContact O-CB 3.22Å; A418-L422 PolarHBondContact O-N 2.79Å; Q419-L422 PolarHBondContact O-N 3.47Å; E420-L422 VanDerWaalsContact C-N 3.29Å; E420-L422 PolarHBondContact O-N 3.34Å; L422-L425 PolarHBondContact O-N 3.29Å; L422-N426 VanDerWaalsContact CD2-ND2 3.26Å; L422-N426 WeakPolarHBondContact CD2-ND2 3.23Å; L422-N426 WeakPolarHBondContact O-CB 3.36Å; L422-N426 PolarHBondContact O-N 3.46Å; L422-N426 PolarHBondContact O-ND2 3.04Å
423N78.3Confident69.1Low73 Ų7377.4 Ų77.439%0.3943%0.425SS..Hα-helixtrans-64.4-45174.4-66.9-16.9000110.9Q419 E420 L425 N426 E427Q419-N423 PolarHBondContact NE2-OD1 2.82Å; Q419-N423 PolarHBondContact O-N 3.37Å; Q419-N423 PolarHBondContact O-ND2 2.84Å; Q419-N423 PolarHBondContact O-OD1 3.17Å; E420-N423 WeakPolarHBondContact O-CB 3.48Å; E420-N423 PolarHBondContact O-N 3.08Å; E420-N423 VanDerWaalsContact O-N 3.15Å; N423-L425 VanDerWaalsContact C-N 3.34Å; N423-L425 PolarHBondContact O-N 3.1Å; N423-N426 PolarHBondContact O-N 3.36Å; N423-E427 WeakPolarHBondContact O-CG 3.25Å; N423-E427 PolarHBondContact O-N 2.95Å
424T78.3Confident67.6Low46 Ų4673.3 Ų73.328%0.28241%0.414SS..Hα-helixtrans-60.8-42.1176.8-48.80000112E420 L421 E427 S428 E440E420-T424 PolarHBondContact O-N 3.14Å; E420-T424 PolarHBondContact O-OG1 3.34Å; E420-T424 VanDerWaalsContact O-OG1 3.05Å; L421-T424 PolarHBondContact O-N 3.08Å; T424-E427 PolarHBondContact O-N 3.12Å; T424-S428 WeakPolarHBondContact O-CB 3.28Å; T424-S428 PolarHBondContact O-N 3.28Å; T424-E440 HydrophobicContact CG2-CG 4.09Å
425L74.4Confident66.3Low8 Ų875.3 Ų75.34%0.04243%0.431CS..Hα-helixtrans-66.6-40.5177.3-72.3174000112.1M397 L400 L421 L422 N423 S428 M429 V444M397-L425 HydrophobicContact CG-CB 4.35Å; M397-L425 HydrophobicContact CG-CD1 4.24Å; L400-L425 HydrophobicContact CD1-CD1 4.07Å; L421-L425 WeakPolarHBondContact O-CG 3.21Å; L421-L425 PolarHBondContact O-N 3.2Å; L422-L425 PolarHBondContact O-N 3.29Å; N423-L425 VanDerWaalsContact C-N 3.34Å; N423-L425 PolarHBondContact O-N 3.1Å; L425-S428 WeakPolarHBondContact O-CB 3.09Å; L425-S428 PolarHBondContact O-N 3.09Å; L425-S428 PolarHBondContact O-OG 3.05Å; L425-M429 WeakPolarHBondContact O-CG 3.48Å; L425-M429 PolarHBondContact O-N 3.41Å; L425-V444 HydrophobicContact CD1-CG2 4.19Å; L425-V444 HydrophobicContact CD2-CG2 4.21Å
426N74.7Confident65Low62 Ų6281 Ų8133%0.33245%0.454SS..Hα-helixtrans-62.5-46.2174.3-84.5-39.2000112.1M397 L422 N423 S428 M429 D430M397-N426 WeakPolarHBondContact CE-OD1 3.39Å; L422-N426 VanDerWaalsContact CD2-ND2 3.26Å; L422-N426 WeakPolarHBondContact CD2-ND2 3.23Å; L422-N426 WeakPolarHBondContact O-CB 3.36Å; L422-N426 PolarHBondContact O-N 3.46Å; L422-N426 PolarHBondContact O-ND2 3.04Å; N423-N426 PolarHBondContact O-N 3.36Å; N426-S428 PolarHBondContact O-N 3.28Å; N426-M429 WeakPolarHBondContact O-CB 3.3Å; N426-M429 PolarHBondContact O-N 2.97Å; N426-M429 VanDerWaalsContact O-N 3.09Å; N426-D430 PolarHBondContact O-N 3.44Å
427E71.3Confident63.9Low138 Ų13879.9 Ų79.965%0.64544%0.439SS*.Hα-helixtrans-61.2-34.3176.4-71.8175.8-173.800112N423 T424 M429N423-E427 WeakPolarHBondContact O-CG 3.25Å; N423-E427 PolarHBondContact O-N 2.95Å; T424-E427 PolarHBondContact O-N 3.12Å; E427-M429 VanDerWaalsContact C-N 3.32Å; E427-M429 PolarHBondContact O-N 3.02Å
428S65.3Low63.3Low7 Ų776.6 Ų76.65%0.04942%0.423CS..Hα-helixtrans-65.7-33.6175.683.60000113T424 L425 N426 S431 Q441T424-S428 WeakPolarHBondContact O-CB 3.28Å; T424-S428 PolarHBondContact O-N 3.28Å; L425-S428 WeakPolarHBondContact O-CB 3.09Å; L425-S428 PolarHBondContact O-N 3.09Å; L425-S428 PolarHBondContact O-OG 3.05Å; N426-S428 PolarHBondContact O-N 3.28Å; S428-S431 PolarHBondContact O-OG 3.13Å; S428-Q441 PolarHBondContact OG-NE2 3.31Å; S428-Q441 VanDerWaalsContact OG-NE2 3.13Å
429M62.8Low63Low67 Ų6784.7 Ų84.733%0.3346%0.457SS..Hα-helixtrans-74.9-34.6-178.7-72.7-69.4-62.700112.6I393 Y394 L425 N426 E427 S431I393-M429 HydrophobicContact CG2-SD 4.49Å; Y394-M429 HydrophobicContact CE1-CE 4.33Å; L425-M429 WeakPolarHBondContact O-CG 3.48Å; L425-M429 PolarHBondContact O-N 3.41Å; N426-M429 WeakPolarHBondContact O-CB 3.3Å; N426-M429 PolarHBondContact O-N 2.97Å; N426-M429 VanDerWaalsContact O-N 3.09Å; E427-M429 VanDerWaalsContact C-N 3.32Å; E427-M429 PolarHBondContact O-N 3.02Å; M429-S431 PolarHBondContact O-N 3.19Å
430D54.7Low62.7Low144 Ų14485.3 Ų85.377%0.7746%0.461SS*.Hα-helixtrans-73.5-13.9179.4-69.7-26.7000112.9N426 E432N426-D430 PolarHBondContact O-N 3.44Å; D430-E432 PolarHBondContact O-N 3.16Å
431S53.6Low62.4Low48 Ų4879.7 Ų79.734%0.33643%0.434SS..  trans-95.362.5179.372.70000113S428 M429 G433 Q438S428-S431 PolarHBondContact O-OG 3.13Å; M429-S431 PolarHBondContact O-N 3.19Å; S431-G433 PolarHBondContact O-N 2.98Å; S431-Q438 PolarHBondContact OG-NE2 2.64Å
432E44.8Very low62.4Low198 Ų19876 Ų7693%0.92542%0.415SS*.THydrogen-bonded Turntrans-59.3-1.7176-71.6-161.8146.800114.9D430D430-E432 PolarHBondContact O-N 3.16Å
433G41.4Very low62.5Low80 Ų8081 Ų8183%0.82544%0.436SS*.THydrogen-bonded Turntrans-100.82.4-167.100000118S431S431-G433 PolarHBondContact O-N 2.98Å
434S39.8Very low62.6Low75 Ų7578.7 Ų78.752%0.52443%0.425SS..  trans-128.7122.1177.767.20000113.3F436S434-F436 PolarHBondContact O-N 2.84Å
435S43.5Very low62.9Low124 Ų12476.6 Ų76.687%0.86741%0.412SS*.SBendtrans-59.120.7-179.6-176.10000115.9
436F44.4Very low63.3Low135 Ų13578.5 Ų78.559%0.59242%0.418SS*.SBendtrans-122.1117.4178.7-117.1-92.9000108S434 Q438S434-F436 PolarHBondContact O-N 2.84Å; F436-Q438 PolarHBondContact O-N 3.29Å
437L52.1Low63.6Low39 Ų3980 Ų8020%0.20443%0.426CS..  trans-59.3123.1160.8-69.9165.3000106.3L389 L442 F464 Q470L389-L437 HydrophobicContact CD1-CD1 3.79Å; L389-L437 HydrophobicContact CD1-CD2 4.1Å; L389-L437 HydrophobicContact CD2-CD2 3.94Å; L437-L442 HydrophobicContact CB-CG 4.49Å; L437-L442 HydrophobicContact CD1-CD2 4.33Å; L437-F464 HydrophobicContact CD1-CD2 4.41Å; L437-F464 HydrophobicContact CD1-CE2 3.34Å; L437-F464 HydrophobicContact CD1-CZ 3.65Å; L437-Q470 HydrophobicContact CD1-CG 4.35Å
438Q62.4Low64.2Low58 Ų5876.5 Ų76.527%0.27141%0.409SS..  trans-64.3142.4177.5-62.4-178.46.900108S431 F436 E440 Q441S431-Q438 PolarHBondContact OG-NE2 2.64Å; F436-Q438 PolarHBondContact O-N 3.29Å; Q438-E440 VanDerWaalsContact CB-OE2 3.26Å; Q438-E440 WeakPolarHBondContact CB-OE2 3.17Å; Q438-E440 PolarHBondContact O-N 2.91Å; Q438-Q441 PolarHBondContact O-N 2.81Å
439K68.4Low65Low174 Ų17476.2 Ų76.276%0.75741%0.407SS*.Hα-helixtrans-50.8-27.8-176.2-74.1-176.6172.8-171.80112.3L442 K443K439-L442 PolarHBondContact O-N 3.39Å; K439-K443 WeakPolarHBondContact O-CB 3.29Å; K439-K443 PolarHBondContact O-N 3.41Å
440E70.8Confident65.8Low80 Ų8075.7 Ų75.737%0.37441%0.408SS..Hα-helixtrans-65.4-40.4178.7-63.371-156.500112.4T424 Q438 K443 V444T424-E440 HydrophobicContact CG2-CG 4.09Å; Q438-E440 VanDerWaalsContact CB-OE2 3.26Å; Q438-E440 WeakPolarHBondContact CB-OE2 3.17Å; Q438-E440 PolarHBondContact O-N 2.91Å; E440-K443 WeakPolarHBondContact O-CB 3.35Å; E440-K443 PolarHBondContact O-N 3.45Å; E440-V444 WeakPolarHBondContact O-CG2 3.34Å; E440-V444 PolarHBondContact O-N 3.15Å
441Q74.1Confident67Low20 Ų2070.3 Ų70.39%0.09338%0.381CS..Hα-helixtrans-70-37.5176.9-66.2180-9.300111.5I393 S428 Q438 K443 L445I393-Q441 HydrophobicContact CD1-CB 4.09Å; I393-Q441 HydrophobicContact CD1-CG 3.85Å; S428-Q441 PolarHBondContact OG-NE2 3.31Å; S428-Q441 VanDerWaalsContact OG-NE2 3.13Å; Q438-Q441 PolarHBondContact O-N 2.81Å; Q441-K443 VanDerWaalsContact C-N 3.35Å; Q441-L445 PolarHBondContact O-N 3.34Å; Q441-L445 VanDerWaalsContact O-N 3.13Å
442L77Confident68.2Low8 Ų870.6 Ų70.64%0.04238%0.379CS..Hα-helixtrans-66.5-39.4172.5-65.4174.9000110.9L437 K439 L445 R446 F464 D473 L474L437-L442 HydrophobicContact CB-CG 4.49Å; L437-L442 HydrophobicContact CD1-CD2 4.33Å; K439-L442 PolarHBondContact O-N 3.39Å; L442-L445 WeakPolarHBondContact O-CB 3.36Å; L442-L445 PolarHBondContact O-N 2.83Å; L442-R446 WeakPolarHBondContact O-CG 3.19Å; L442-R446 PolarHBondContact O-N 3.4Å; L442-F464 HydrophobicContact CD2-CE1 3.99Å; L442-F464 HydrophobicContact CD2-CZ 3.66Å; L442-D473 HydrophobicContact CD1-CB 3.69Å; L442-L474 HydrophobicContact CD2-CD1 4.26Å
443K80Confident69.7Low116 Ų11664 Ų6450%0.50435%0.348SS..Hα-helixtrans-58.6-49.5174.9-171-176.4177.1-172.30111.6K439 E440 Q441 L445 R446 D447K439-K443 WeakPolarHBondContact O-CB 3.29Å; K439-K443 PolarHBondContact O-N 3.41Å; E440-K443 WeakPolarHBondContact O-CB 3.35Å; E440-K443 PolarHBondContact O-N 3.45Å; Q441-K443 VanDerWaalsContact C-N 3.35Å; K443-L445 VanDerWaalsContact C-N 3.26Å; K443-L445 PolarHBondContact O-N 3.14Å; K443-R446 PolarHBondContact O-N 3.45Å; K443-R446 VanDerWaalsContact O-N 3.15Å; K443-D447 WeakPolarHBondContact O-CB 3.29Å; K443-D447 PolarHBondContact O-N 2.89Å
444V81.6Confident71.6Confident26 Ų2660.3 Ų60.316%0.15831%0.31CS..Hα-helixtrans-58-40.1176172.40000111.7A396 L425 E440 D447 K448A396-V444 HydrophobicContact CB-CG1 3.6Å; L425-V444 HydrophobicContact CD1-CG2 4.19Å; L425-V444 HydrophobicContact CD2-CG2 4.21Å; E440-V444 WeakPolarHBondContact O-CG2 3.34Å; E440-V444 PolarHBondContact O-N 3.15Å; V444-D447 PolarHBondContact O-N 3.24Å; V444-K448 PolarHBondContact O-N 3.27Å
445L83.1Confident73.4Confident1 Ų159.5 Ų59.51%0.00530%0.297CS..Hα-helixtrans-66.5-44.5177.3-173.863.8000111.9I387 T392 Q441 L442 K443 K448 M449 L461 F464 L474I387-L445 HydrophobicContact CG2-CD1 3.33Å; T392-L445 HydrophobicContact CG2-CD1 4.23Å; Q441-L445 PolarHBondContact O-N 3.34Å; Q441-L445 VanDerWaalsContact O-N 3.13Å; L442-L445 WeakPolarHBondContact O-CB 3.36Å; L442-L445 PolarHBondContact O-N 2.83Å; K443-L445 VanDerWaalsContact C-N 3.26Å; K443-L445 PolarHBondContact O-N 3.14Å; L445-K448 PolarHBondContact O-N 2.67Å; L445-M449 HydrophobicContact CG-SD 4.22Å; L445-M449 WeakPolarHBondContact O-CG 3.37Å; L445-M449 PolarHBondContact O-N 2.81Å; L445-L461 HydrophobicContact CD1-CD1 4.37Å; L445-L461 HydrophobicContact CD2-CD1 4.46Å; L445-F464 HydrophobicContact CD2-CD1 3.59Å; L445-F464 HydrophobicContact CD2-CE1 3.54Å; L445-L474 HydrophobicContact CD2-CD1 3.77Å; L445-L474 HydrophobicContact CD2-CD2 4.23Å; L445-L474 HydrophobicContact CG-CD1 4.21Å
446R82.8Confident74.9Confident49 Ų4953.8 Ų53.819%0.18526%0.256CS..Hα-helixtrans-62.3-42.7175-70.3-174.9-157.6164.4-11.6111.4L442 K443 K448 M449 T450 D473 L474 D477 F482L442-R446 WeakPolarHBondContact O-CG 3.19Å; L442-R446 PolarHBondContact O-N 3.4Å; K443-R446 PolarHBondContact O-N 3.45Å; K443-R446 VanDerWaalsContact O-N 3.15Å; R446-K448 VanDerWaalsContact C-N 3.26Å; R446-K448 PolarHBondContact O-N 3.43Å; R446-M449 CarbonylContact O-C 3.55Å; R446-M449 PolarHBondContact O-N 2.96Å; R446-M449 VanDerWaalsContact O-N 3.12Å; R446-T450 WeakPolarHBondContact O-CB 3.46Å; R446-T450 PolarHBondContact O-N 3.2Å; R446-T450 PolarHBondContact O-OG1 2.93Å; R446-D473 PolarHBondContact NE-O 2.98Å; R446-D473 PolarHBondContact NH2-O 3.25Å; R446-L474 HydrophobicContact CG-CD1 3.91Å; R446-L474 PolarHBondContact NE-O 3.21Å; R446-D477 WeakPolarHBondContact CD-OD2 3.32Å; R446-D477 VanDerWaalsContact CZ-CG 3.49Å; R446-D477 IonicContact CZ-OD1 3.37Å; R446-D477 IonicContact CZ-OD2 3.67Å; R446-D477 IonicContact NE-OD2 3.83Å; R446-D477 IonicContact NH1-OD1 3.72Å; R446-D477 PolarHBondContact NH1-OD1 2.86Å; R446-D477 IonicContact NH1-OD2 2.82Å; R446-D477 PolarHBondContact NH1-OD2 3.44Å; R446-D477 IonicContact NH2-OD1 2.99Å; R446-D477 PolarHBondContact NH2-OD1 3.25Å; R446-D477 IonicContact NH2-OD2 3.66Å; R446-F482 HydrophobicContact CB-CZ 4.04Å; R446-F482 HydrophobicContact CG-CE1 4.31Å; R446-F482 HydrophobicContact CG-CZ 4.02Å
447D82.2Confident76.5Confident92 Ų9248.8 Ų48.849%0.49224%0.235SC..Hα-helixtrans-59.5-40.9176.1-67.1-19.3000110.2K443 V444 T450 S451K443-D447 WeakPolarHBondContact O-CB 3.29Å; K443-D447 PolarHBondContact O-N 2.89Å; V444-D447 PolarHBondContact O-N 3.24Å; D447-T450 PolarHBondContact O-N 3.5Å; D447-S451 PolarHBondContact O-N 3.13Å
448K83.6Confident78Confident66 Ų6647 Ų4729%0.28723%0.225SC..Hα-helixtrans-66-41.8174.7-171.260.2176.31770112.7I387 T392 V444 L445 R446 T450 S451 C454I387-K448 HydrophobicContact CD1-CG 4.47Å; T392-K448 HydrophobicContact CG2-CB 4.31Å; T392-K448 HydrophobicContact CG2-CG 3.94Å; V444-K448 PolarHBondContact O-N 3.27Å; L445-K448 PolarHBondContact O-N 2.67Å; R446-K448 VanDerWaalsContact C-N 3.26Å; R446-K448 PolarHBondContact O-N 3.43Å; K448-T450 VanDerWaalsContact C-N 3.26Å; K448-T450 PolarHBondContact O-N 2.82Å; K448-S451 VanDerWaalsContact O-CB 3.25Å; K448-S451 WeakPolarHBondContact O-CB 3.45Å; K448-S451 PolarHBondContact O-N 3.3Å; K448-S451 PolarHBondContact O-OG 3.19Å; K448-C454 PolarHBondContact O-SG 3.27Å; K448-C454 VanDerWaalsContact O-SG 3.34Å
449M81.6Confident79.3Confident1 Ų144.3 Ų44.31%0.00521%0.213CC..Hα-helixtrans-66.7-29.8176.4-69.1171.95900112.4I387 L445 R446 S451 C454 Y459 L474 F475 F486I387-M449 HydrophobicContact CD1-CG 3.89Å; L445-M449 HydrophobicContact CG-SD 4.22Å; L445-M449 WeakPolarHBondContact O-CG 3.37Å; L445-M449 PolarHBondContact O-N 2.81Å; R446-M449 CarbonylContact O-C 3.55Å; R446-M449 PolarHBondContact O-N 2.96Å; R446-M449 VanDerWaalsContact O-N 3.12Å; M449-S451 VanDerWaalsContact C-N 3.33Å; M449-C454 WeakPolarHBondContact O-CB 3.47Å; M449-Y459 HydrophobicContact CE-CE1 3.93Å; M449-Y459 HydrophobicContact CE-CE2 4.06Å; M449-Y459 VanDerWaalsContact CE-OH 3.32Å; M449-Y459 WeakPolarHBondContact CE-OH 3.39Å; M449-L474 HydrophobicContact SD-CD1 4.42Å; M449-L474 HydrophobicContact SD-CD2 4.43Å; M449-F475 HydrophobicContact CE-CE1 3.81Å; M449-F486 WeakPolarHBondContact O-CD1 3.34Å; M449-F486 WeakPolarHBondContact O-CE1 3.3Å
450T79.6Confident80.2Confident56 Ų5636 Ų3634%0.34418%0.177SC..Hα-helixtrans-79.9-15.6176.4-47.70000112.7R446 D447 K448 F482 F486R446-T450 WeakPolarHBondContact O-CB 3.46Å; R446-T450 PolarHBondContact O-N 3.2Å; R446-T450 PolarHBondContact O-OG1 2.93Å; D447-T450 PolarHBondContact O-N 3.5Å; K448-T450 VanDerWaalsContact C-N 3.26Å; K448-T450 PolarHBondContact O-N 2.82Å; T450-F482 WeakPolarHBondContact OG1-CE2 3.35Å; T450-F486 HydrophobicContact CG2-CE1 4.49Å; T450-F486 HydrophobicContact CG2-CE2 4.5Å; T450-F486 HydrophobicContact CG2-CZ 3.94Å
451S81.1Confident81.1Confident31 Ų3132.2 Ų32.222%0.21716%0.159CC..SBendtrans-55.8143.7178.4720000111.8D447 K448 M449 Q453 C454 K455D447-S451 PolarHBondContact O-N 3.13Å; K448-S451 VanDerWaalsContact O-CB 3.25Å; K448-S451 WeakPolarHBondContact O-CB 3.45Å; K448-S451 PolarHBondContact O-N 3.3Å; K448-S451 PolarHBondContact O-OG 3.19Å; M449-S451 VanDerWaalsContact C-N 3.33Å; S451-Q453 PolarHBondContact O-N 3.49Å; S451-Q453 VanDerWaalsContact O-N 3.13Å; S451-C454 PolarHBondContact O-N 2.9Å; S451-C454 PolarHBondContact OG-SG 3.09Å; S451-K455 PolarHBondContact O-N 3.04Å
452N77.2Confident81.7Confident53 Ų5331.5 Ų31.528%0.28316%0.156SC..Hα-helixtrans-52.5-39.6-177.1-73.1-19.9000113.2T285 V286 C454 K455 N456T285-N452 PolarHBondContact O-ND2 2.86Å; V286-N452 VanDerWaalsContact O-CB 3.28Å; V286-N452 WeakPolarHBondContact O-CB 3.47Å; N452-C454 PolarHBondContact O-N 3.32Å; N452-K455 PolarHBondContact O-N 3.25Å; N452-N456 WeakPolarHBondContact O-CB 3.37Å; N452-N456 PolarHBondContact O-N 3.1Å; N452-N456 PolarHBondContact O-ND2 2.79Å; N452-N456 VanDerWaalsContact O-ND2 3.08Å
453Q77.7Confident81.8Confident60 Ų6032.7 Ų32.728%0.2817%0.167SC..Hα-helixtrans-51.9-51.8171.9-81.617623.500112.8H385 S451 Q457H385-Q453 WeakPolarHBondContact NE2-CB 3.36Å; S451-Q453 PolarHBondContact O-N 3.49Å; S451-Q453 VanDerWaalsContact O-N 3.13Å; Q453-Q457 WeakPolarHBondContact O-CB 3.38Å; Q453-Q457 PolarHBondContact O-N 3.31Å
454C80.5Confident81.9Confident3 Ų327.5 Ų27.52%0.0214%0.144CC..Hα-helixtrans-76.1-33.1-179.3-61.40000112.5K448 M449 S451 N452 N456 G458 Y459K448-C454 PolarHBondContact O-SG 3.27Å; K448-C454 VanDerWaalsContact O-SG 3.34Å; M449-C454 WeakPolarHBondContact O-CB 3.47Å; S451-C454 PolarHBondContact O-N 2.9Å; S451-C454 PolarHBondContact OG-SG 3.09Å; N452-C454 PolarHBondContact O-N 3.32Å; C454-N456 VanDerWaalsContact C-N 3.31Å; C454-N456 PolarHBondContact O-N 3.46Å; C454-G458 WeakPolarHBondContact O-CA 3.46Å; C454-G458 PolarHBondContact O-N 3.37Å; C454-Y459 HydrophobicContact CB-CD1 4.44Å
455K78.6Confident82.1Confident58 Ų5826.3 Ų26.325%0.25214%0.137SC..Hα-helixtrans-64.2-36.3174.9-173.9-177.5176.8-171.50112.2R351 S451 N452R351-K455 PolarHBondContact NH1-O 3.27Å; S451-K455 PolarHBondContact O-N 3.04Å; N452-K455 PolarHBondContact O-N 3.25Å
456N75.2Confident81.9Confident3 Ų329.5 Ų29.52%0.01615%0.154CC..Hα-helixtrans-88.1-55.3-175.2-69.4-25000112W224 V286 V287 N452 C454W224-N456 HydrophobicContact CE3-CB 4.18Å; W224-N456 VanDerWaalsContact CH2-C 3.49Å; W224-N456 HydrophobicContact CH2-CB 3.57Å; W224-N456 WeakPolarHBondContact CH2-O 3.17Å; W224-N456 HydrophobicContact CZ2-CB 4.24Å; W224-N456 WeakPolarHBondContact CZ2-O 3.48Å; W224-N456 HydrophobicContact CZ3-CB 3.54Å; V286-N456 PolarHBondContact O-ND2 3.38Å; V287-N456 WeakPolarHBondContact CA-ND2 3.47Å; V287-N456 PolarHBondContact O-ND2 2.82Å; N452-N456 WeakPolarHBondContact O-CB 3.37Å; N452-N456 PolarHBondContact O-N 3.1Å; N452-N456 PolarHBondContact O-ND2 2.79Å; N452-N456 VanDerWaalsContact O-ND2 3.08Å; C454-N456 VanDerWaalsContact C-N 3.31Å; C454-N456 PolarHBondContact O-N 3.46Å
457Q77.8Confident81.8Confident31 Ų3128.6 Ų28.615%0.14516%0.155CC..Hα-helixtrans-85.1-30.6-176.5-62.5-179.4-000112.6W224 P358 L359 K383 L384 H385 Q453W224-Q457 PolarHBondContact O-NE2 2.89Å; P358-Q457 WeakPolarHBondContact CA-O 3.33Å; L359-Q457 PolarHBondContact N-O 3.05Å; K383-Q457 PolarHBondContact O-OE1 3.31Å; L384-Q457 WeakPolarHBondContact CD2-O 3.36Å; H385-Q457 PolarHBondContact NE2-OE1 3.48Å; Q453-Q457 WeakPolarHBondContact O-CB 3.38Å; Q453-Q457 PolarHBondContact O-N 3.31Å
458G83.6Confident81.8Confident0 Ų025.2 Ų25.20%014%0.136CC..EExtended strand (participates in β ladder)trans98.2-175-167.900000112.4L359 C454L359-G458 CarbonylContact O-C 3.54Å; L359-G458 VanDerWaalsContact O-CA 3.27Å; L359-G458 WeakPolarHBondContact O-CA 3.1Å; C454-G458 WeakPolarHBondContact O-CA 3.46Å; C454-G458 PolarHBondContact O-N 3.37Å
459Y88.3Confident81.6Confident2 Ų228.4 Ų28.41%0.00815%0.149CC..EExtended strand (participates in β ladder)trans-150.6158.2-174.366.5-97.8000111.9L359 R360 V361 H385 I387 M449 C454 L461 F486L359-Y459 PolarHBondContact O-N 3.26Å; R360-Y459 HydrophobicContact CB-CE1 4Å; R360-Y459 HydrophobicContact CG-CD1 4.09Å; R360-Y459 HydrophobicContact CG-CE1 3.7Å; V361-Y459 PolarHBondContact N-O 3.49Å; H385-Y459 WeakPolarHBondContact O-CA 3.28Å; I387-Y459 VanDerWaalsContact CD1-CB 3.49Å; I387-Y459 HydrophobicContact CD1-CD2 4.09Å; I387-Y459 HydrophobicContact CD1-CG 3.84Å; M449-Y459 HydrophobicContact CE-CE1 3.93Å; M449-Y459 HydrophobicContact CE-CE2 4.06Å; M449-Y459 VanDerWaalsContact CE-OH 3.32Å; M449-Y459 WeakPolarHBondContact CE-OH 3.39Å; C454-Y459 HydrophobicContact CB-CD1 4.44Å; Y459-L461 HydrophobicContact CD2-CB 4.16Å; Y459-L461 HydrophobicContact CE2-CB 4Å; Y459-F486 PolarHBondContact OH-O 3.23Å
460V88.8Confident81.6Confident0 Ų030.3 Ų30.30%016%0.158CC..EExtended strand (participates in β ladder)trans-117.4111169.2-177.40000108.7V361 I363 I378 C379 L384 H385 I387V361-V460 HydrophobicContact CB-CG2 4.35Å; V361-V460 CarbonylContact O-C 3.53Å; V361-V460 VanDerWaalsContact O-CA 3.3Å; V361-V460 WeakPolarHBondContact O-CA 3.47Å; I363-V460 HydrophobicContact CD1-CG1 3.46Å; I363-V460 VanDerWaalsContact CD1-CG1 3.46Å; I363-V460 HydrophobicContact CG1-CG1 4.33Å; I378-V460 HydrophobicContact CB-CG2 4.49Å; I378-V460 HydrophobicContact CG2-CG2 3.77Å; C379-V460 VanDerWaalsContact SG-CB 3.59Å; C379-V460 WeakPolarHBondContact SG-CG2 3.46Å; L384-V460 HydrophobicContact CB-CG2 4.14Å; L384-V460 HydrophobicContact CD1-CG2 3.78Å; H385-V460 PolarHBondContact O-N 2.69Å; I387-V460 PolarHBondContact N-O 2.99Å
461L89Confident81.7Confident1 Ų127.6 Ų27.61%0.00514%0.142CC..EExtended strand (participates in β ladder)trans-86.4116.2176.3-16867.7000109.3V361 C362 I363 I387 L445 Y459 F464 L474 F475V361-L461 PolarHBondContact O-N 3.39Å; C362-L461 HydrophobicContact CB-CB 4.48Å; I363-L461 PolarHBondContact N-O 2.87Å; I387-L461 HydrophobicContact CB-CD1 4.17Å; I387-L461 HydrophobicContact CG2-CD1 3.73Å; L445-L461 HydrophobicContact CD1-CD1 4.37Å; L445-L461 HydrophobicContact CD2-CD1 4.46Å; Y459-L461 HydrophobicContact CD2-CB 4.16Å; Y459-L461 HydrophobicContact CE2-CB 4Å; L461-F464 HydrophobicContact CD2-CD1 4.37Å; L461-F464 WeakPolarHBondContact CD2-O 3.4Å; L461-F464 HydrophobicContact CG-CB 4.48Å; L461-F464 VanDerWaalsContact CG-O 3.27Å; L461-F464 WeakPolarHBondContact CG-O 3.34Å; L461-L474 HydrophobicContact CD2-CD2 4.09Å; L461-F475 HydrophobicContact CD2-CZ 4.26Å
462D87.1Confident81.8Confident5 Ų529.2 Ų29.23%0.02715%0.146CC..EExtended strand (participates in β ladder)trans-102.5122.7-174.1-177.720.7000111.7K371 T372 S375 H386 I387 T388 F464K371-D462 WeakPolarHBondContact CB-OD1 3.08Å; T372-D462 WeakPolarHBondContact CA-OD2 2.75Å; T372-D462 VanDerWaalsContact CB-OD2 3.26Å; T372-D462 WeakPolarHBondContact CB-OD2 3.14Å; T372-D462 WeakPolarHBondContact CG2-OD2 3.44Å; T372-D462 PolarHBondContact N-OD1 3.03Å; T372-D462 PolarHBondContact OG1-OD2 3.33Å; S375-D462 PolarHBondContact OG-OD1 3.45Å; H386-D462 IonicContact CE1-OD2 3.64Å; H386-D462 VanDerWaalsContact NE2-CB 3.34Å; H386-D462 WeakPolarHBondContact NE2-CB 3.45Å; H386-D462 IonicContact NE2-OD2 2.78Å; H386-D462 PolarHBondContact NE2-OD2 2.69Å; I387-D462 PolarHBondContact O-N 3.21Å; T388-D462 HydrophobicContact CG2-CB 3.79Å; D462-F464 PolarHBondContact O-N 2.95Å; D462-F464 VanDerWaalsContact O-N 3.16Å
463A78Confident82.1Confident32 Ų3229.8 Ų29.826%0.26415%0.149SC..SBendtrans59.625.317100000115.4I363 K371 N466I363-A463 PolarHBondContact O-N 2.68Å; I363-A463 VanDerWaalsContact O-N 3.09Å; K371-A463 HydrophobicContact CD-CB 4.15Å; A463-N466 PolarHBondContact O-ND2 3.26Å; A463-N466 VanDerWaalsContact O-ND2 3.1Å; A463-N466 PolarHBondContact O-OD1 3.45Å
464F82.6Confident82.2Confident7 Ų727 Ų273%0.03114%0.136CC..  trans-150.4146.1177.6-170.1-105.2000109.3C362 L389 L437 L442 L445 L461 D462 Q470 L474C362-F464 PolarHBondContact SG-O 2.94Å; C362-F464 VanDerWaalsContact SG-O 3.4Å; L389-F464 HydrophobicContact CD1-CD1 4.16Å; L389-F464 HydrophobicContact CD1-CD2 3.6Å; L389-F464 HydrophobicContact CD1-CE1 4.11Å; L389-F464 HydrophobicContact CD1-CE2 3.62Å; L389-F464 HydrophobicContact CD1-CG 3.92Å; L389-F464 HydrophobicContact CD1-CZ 3.88Å; L437-F464 HydrophobicContact CD1-CD2 4.41Å; L437-F464 HydrophobicContact CD1-CE2 3.34Å; L437-F464 HydrophobicContact CD1-CZ 3.65Å; L442-F464 HydrophobicContact CD2-CE1 3.99Å; L442-F464 HydrophobicContact CD2-CZ 3.66Å; L445-F464 HydrophobicContact CD2-CD1 3.59Å; L445-F464 HydrophobicContact CD2-CE1 3.54Å; L461-F464 HydrophobicContact CD2-CD1 4.37Å; L461-F464 WeakPolarHBondContact CD2-O 3.4Å; L461-F464 HydrophobicContact CG-CB 4.48Å; L461-F464 VanDerWaalsContact CG-O 3.27Å; L461-F464 WeakPolarHBondContact CG-O 3.34Å; D462-F464 PolarHBondContact O-N 2.95Å; D462-F464 VanDerWaalsContact O-N 3.16Å; F464-Q470 HydrophobicContact CE2-CB 4.21Å; F464-Q470 HydrophobicContact CE2-CG 4.32Å; F464-Q470 HydrophobicContact CZ-CB 4.11Å; F464-Q470 HydrophobicContact CZ-CG 4.48Å; F464-L474 HydrophobicContact CD1-CD2 3.97Å; F464-L474 HydrophobicContact CE1-CD1 4.35Å; F464-L474 HydrophobicContact CE1-CD2 3.66Å; F464-L474 HydrophobicContact CE1-CG 4.41Å
465P85Confident82.2Confident1 Ų126.9 Ų26.91%0.00614%0.135CC..  cis-74.8157.5-6.530.7-35.3000114.5L364 Q470 A471 F475 V540 F544L364-P465 VanDerWaalsContact CD2-O 3.29Å; L364-P465 WeakPolarHBondContact CD2-O 3.2Å; P465-Q470 HydrophobicContact CB-CB 3.9Å; P465-A471 HydrophobicContact CB-CB 4.09Å; P465-A471 HydrophobicContact CG-CB 3.65Å; P465-F475 HydrophobicContact CG-CE2 4.19Å; P465-V540 HydrophobicContact CG-CG1 4.12Å; P465-F544 HydrophobicContact CG-CZ 4.42Å
466N79.3Confident81.9Confident69 Ų6928.7 Ų28.737%0.36914%0.144SC..  trans-112-6.7-177.4-67.5-47.4000114.7A463 N533A463-N466 PolarHBondContact O-ND2 3.26Å; A463-N466 VanDerWaalsContact O-ND2 3.1Å; A463-N466 PolarHBondContact O-OD1 3.45Å; N466-N533 PolarHBondContact O-ND2 3.06Å; N466-N533 VanDerWaalsContact O-ND2 3.1Å
467S80.6Confident81.2Confident29 Ų2931.4 Ų31.420%0.20316%0.159CC..SBendtrans-140.4157.5173.570.90000111.2K469 Q470 A471 V540S467-K469 VanDerWaalsContact C-N 3.29Å; S467-K469 PolarHBondContact O-N 3.4Å; S467-Q470 PolarHBondContact O-N 2.83Å; S467-Q470 VanDerWaalsContact O-N 3.13Å; S467-Q470 VanDerWaalsContact OG-CG 3.29Å; S467-Q470 WeakPolarHBondContact OG-CG 3.28Å; S467-Q470 PolarHBondContact OG-N 3.2Å; S467-A471 PolarHBondContact O-N 3.08Å; S467-A471 VanDerWaalsContact O-N 3.11Å; S467-V540 VanDerWaalsContact CA-CG2 3.42Å
468Y82.4Confident80Confident22 Ų2239.8 Ų39.89%0.08620%0.198CC..Hα-helixtrans-55.2-45.8177.9-179.9-74.5000111.7Q470 A471 E472 K538 Y543 E546Y468-Q470 VanDerWaalsContact C-N 3.28Å; Y468-Q470 PolarHBondContact O-N 2.9Å; Y468-A471 WeakPolarHBondContact O-CB 3.39Å; Y468-A471 PolarHBondContact O-N 3.37Å; Y468-E472 HydrophobicContact CD1-CB 4.48Å; Y468-E472 HydrophobicContact CE1-CB 4.32Å; Y468-E472 WeakPolarHBondContact O-CB 3.22Å; Y468-E472 PolarHBondContact O-N 3.31Å; Y468-K538 WeakPolarHBondContact CB-O 3.46Å; Y468-K538 HydrophobicContact CD1-CD 4.47Å; Y468-K538 HydrophobicContact CD2-CB 4.01Å; Y468-K538 HydrophobicContact CG-CB 3.97Å; Y468-Y543 HydrophobicContact CD2-CD2 4.38Å; Y468-Y543 HydrophobicContact CE1-CD2 4.39Å; Y468-Y543 AromaticContact CE2-CD2 3.93Å; Y468-Y543 HydrophobicContact CE2-CD2 3.93Å; Y468-Y543 HydrophobicContact CE2-CG 4.38Å; Y468-Y543 AromaticContact CZ-CD2 3.91Å; Y468-E546 PolarHBondContact OH-OE2 3.25Å
469K80.4Confident78.4Confident132 Ų13247 Ų4757%0.57423%0.232SC*.Hα-helixtrans-60.4-37.1178.5-67.1-176.4179.3177.10112.8S467 A471 D473S467-K469 VanDerWaalsContact C-N 3.29Å; S467-K469 PolarHBondContact O-N 3.4Å; K469-A471 VanDerWaalsContact C-N 3.32Å; K469-D473 VanDerWaalsContact O-CB 3.23Å; K469-D473 WeakPolarHBondContact O-CB 3.2Å; K469-D473 PolarHBondContact O-N 2.97Å
470Q80.7Confident76.5Confident41 Ų4155.3 Ų55.319%0.19227%0.271CS..Hα-helixtrans-69.6-31.4176-74172.9-200112.5L437 F464 P465 S467 Y468 L474L437-Q470 HydrophobicContact CD1-CG 4.35Å; F464-Q470 HydrophobicContact CE2-CB 4.21Å; F464-Q470 HydrophobicContact CE2-CG 4.32Å; F464-Q470 HydrophobicContact CZ-CB 4.11Å; F464-Q470 HydrophobicContact CZ-CG 4.48Å; P465-Q470 HydrophobicContact CB-CB 3.9Å; S467-Q470 PolarHBondContact O-N 2.83Å; S467-Q470 VanDerWaalsContact O-N 3.13Å; S467-Q470 VanDerWaalsContact OG-CG 3.29Å; S467-Q470 WeakPolarHBondContact OG-CG 3.28Å; S467-Q470 PolarHBondContact OG-N 3.2Å; Y468-Q470 VanDerWaalsContact C-N 3.28Å; Y468-Q470 PolarHBondContact O-N 2.9Å; Q470-L474 WeakPolarHBondContact O-CB 3.1Å; Q470-L474 PolarHBondContact O-N 3.41Å; Q470-L474 VanDerWaalsContact O-N 3.09Å
471A82.5Confident74.5Confident0 Ų062 Ų620%030%0.302CS..Hα-helixtrans-72.6-45.717500000110.6P465 S467 Y468 K469 L474 F475 Y543P465-A471 HydrophobicContact CB-CB 4.09Å; P465-A471 HydrophobicContact CG-CB 3.65Å; S467-A471 PolarHBondContact O-N 3.08Å; S467-A471 VanDerWaalsContact O-N 3.11Å; Y468-A471 WeakPolarHBondContact O-CB 3.39Å; Y468-A471 PolarHBondContact O-N 3.37Å; K469-A471 VanDerWaalsContact C-N 3.32Å; A471-L474 PolarHBondContact O-N 2.9Å; A471-L474 VanDerWaalsContact O-N 3.1Å; A471-F475 HydrophobicContact CB-CD2 4.42Å; A471-F475 WeakPolarHBondContact O-CB 3.41Å; A471-F475 VanDerWaalsContact O-CD2 3.31Å; A471-F475 WeakPolarHBondContact O-CD2 3.36Å; A471-F475 PolarHBondContact O-N 3.46Å; A471-Y543 HydrophobicContact CB-CD1 3.5Å; A471-Y543 HydrophobicContact CB-CD2 4.42Å; A471-Y543 HydrophobicContact CB-CE1 3.85Å; A471-Y543 HydrophobicContact CB-CG 3.82Å
472E83.3Confident72.7Confident64 Ų6463.2 Ų63.230%0.29931%0.307SS..Hα-helixtrans-53.7-56.9171.4-167.6178.3-16000109.9Y468 L474 F475 E476 Y543Y468-E472 HydrophobicContact CD1-CB 4.48Å; Y468-E472 HydrophobicContact CE1-CB 4.32Å; Y468-E472 WeakPolarHBondContact O-CB 3.22Å; Y468-E472 PolarHBondContact O-N 3.31Å; E472-L474 PolarHBondContact O-N 3.37Å; E472-L474 VanDerWaalsContact O-N 3.08Å; E472-F475 PolarHBondContact O-N 2.98Å; E472-E476 HydrophobicContact CG-CB 4.46Å; E472-E476 HydrophobicContact CG-CG 4.32Å; E472-E476 WeakPolarHBondContact CG-OE2 3.26Å; E472-E476 WeakPolarHBondContact O-CA 3.45Å; E472-E476 VanDerWaalsContact O-CB 3.25Å; E472-E476 WeakPolarHBondContact O-CB 3.49Å; E472-E476 PolarHBondContact O-N 3.37Å; E472-Y543 HydrophobicContact CB-CE2 4.41Å
473D81.9Confident71.1Confident66 Ų6665 Ų6535%0.35332%0.32SS..Hα-helixtrans-65.6-12.2177.9-68.4-31.6000113.8L442 R446 K469L442-D473 HydrophobicContact CD1-CB 3.69Å; R446-D473 PolarHBondContact NE-O 2.98Å; R446-D473 PolarHBondContact NH2-O 3.25Å; K469-D473 VanDerWaalsContact O-CB 3.23Å; K469-D473 WeakPolarHBondContact O-CB 3.2Å; K469-D473 PolarHBondContact O-N 2.97Å
474L81.4Confident70.2Confident1 Ų171.2 Ų71.21%0.00534%0.344CS..Hα-helixtrans-95.8-41.2176.8-175.265.5000112L442 L445 R446 M449 L461 F464 Q470 A471 E472L442-L474 HydrophobicContact CD2-CD1 4.26Å; L445-L474 HydrophobicContact CD2-CD1 3.77Å; L445-L474 HydrophobicContact CD2-CD2 4.23Å; L445-L474 HydrophobicContact CG-CD1 4.21Å; R446-L474 HydrophobicContact CG-CD1 3.91Å; R446-L474 PolarHBondContact NE-O 3.21Å; M449-L474 HydrophobicContact SD-CD1 4.42Å; M449-L474 HydrophobicContact SD-CD2 4.43Å; L461-L474 HydrophobicContact CD2-CD2 4.09Å; F464-L474 HydrophobicContact CD1-CD2 3.97Å; F464-L474 HydrophobicContact CE1-CD1 4.35Å; F464-L474 HydrophobicContact CE1-CD2 3.66Å; F464-L474 HydrophobicContact CE1-CG 4.41Å; Q470-L474 WeakPolarHBondContact O-CB 3.1Å; Q470-L474 PolarHBondContact O-N 3.41Å; Q470-L474 VanDerWaalsContact O-N 3.09Å; A471-L474 PolarHBondContact O-N 2.9Å; A471-L474 VanDerWaalsContact O-N 3.1Å; E472-L474 PolarHBondContact O-N 3.37Å; E472-L474 VanDerWaalsContact O-N 3.08Å
475F80.8Confident69.3Low1 Ų176.2 Ų76.20%0.00437%0.366CS..Hα-helixtrans-110.8-22.6-167.5-62.8-67.4000113.8M449 L461 P465 A471 E472 T487 P488 Y543 F544M449-F475 HydrophobicContact CE-CE1 3.81Å; L461-F475 HydrophobicContact CD2-CZ 4.26Å; P465-F475 HydrophobicContact CG-CE2 4.19Å; A471-F475 HydrophobicContact CB-CD2 4.42Å; A471-F475 WeakPolarHBondContact O-CB 3.41Å; A471-F475 VanDerWaalsContact O-CD2 3.31Å; A471-F475 WeakPolarHBondContact O-CD2 3.36Å; A471-F475 PolarHBondContact O-N 3.46Å; E472-F475 PolarHBondContact O-N 2.98Å; F475-T487 HydrophobicContact CB-CG2 4.08Å; F475-T487 HydrophobicContact CD1-CG2 3.91Å; F475-T487 HydrophobicContact CG-CG2 4.17Å; F475-P488 VanDerWaalsContact CE1-CD 3.47Å; F475-P488 HydrophobicContact CE1-CG 4.48Å; F475-P488 HydrophobicContact CZ-CG 4.11Å; F475-Y543 HydrophobicContact CB-CE1 4.25Å; F475-Y543 WeakPolarHBondContact CB-OH 3.23Å; F475-Y543 AromaticContact CD2-CE1 3.97Å; F475-Y543 HydrophobicContact CD2-CE1 3.97Å; F475-F544 HydrophobicContact CD2-CE1 4.48Å; F475-F544 HydrophobicContact CE2-CE1 4.05Å; F475-F544 AromaticContact CE2-CZ 3.89Å; F475-F544 HydrophobicContact CE2-CZ 3.89Å
476E72.3Confident68.7Low95 Ų9577.1 Ų77.144%0.44437%0.369SS..  trans-87.6112.2167.7-64.7-171.3177.300109.4E472 Y543E472-E476 HydrophobicContact CG-CB 4.46Å; E472-E476 HydrophobicContact CG-CG 4.32Å; E472-E476 WeakPolarHBondContact CG-OE2 3.26Å; E472-E476 WeakPolarHBondContact O-CA 3.45Å; E472-E476 VanDerWaalsContact O-CB 3.25Å; E472-E476 WeakPolarHBondContact O-CB 3.49Å; E472-E476 PolarHBondContact O-N 3.37Å; E476-Y543 HydrophobicContact CG-CE2 4.36Å
477D60.6Low68.7Low60 Ų6074.8 Ų74.832%0.32136%0.358SS..  trans-121.7153.3165.5-93.9-34.2000109.1R446 Q479 F482R446-D477 WeakPolarHBondContact CD-OD2 3.32Å; R446-D477 VanDerWaalsContact CZ-CG 3.49Å; R446-D477 IonicContact CZ-OD1 3.37Å; R446-D477 IonicContact CZ-OD2 3.67Å; R446-D477 IonicContact NE-OD2 3.83Å; R446-D477 IonicContact NH1-OD1 3.72Å; R446-D477 PolarHBondContact NH1-OD1 2.86Å; R446-D477 IonicContact NH1-OD2 2.82Å; R446-D477 PolarHBondContact NH1-OD2 3.44Å; R446-D477 IonicContact NH2-OD1 2.99Å; R446-D477 PolarHBondContact NH2-OD1 3.25Å; R446-D477 IonicContact NH2-OD2 3.66Å; D477-Q479 PolarHBondContact O-N 3.42Å; D477-F482 HydrophobicContact CB-CD1 4.36Å
478E51.3Low68.8Low207 Ų20773.4 Ų73.497%0.96735%0.348SS*.SBendtrans-62.1-5.6178.1-63.3-177.2167.100113.5
479Q51Low68.6Low153 Ų15377.4 Ų77.472%0.71537%0.367SS*.SBendtrans-103.1104.4175.5-61.9-176.61.700110.1D477 E481 F482D477-Q479 PolarHBondContact O-N 3.42Å; Q479-E481 PolarHBondContact O-N 2.94Å; Q479-F482 PolarHBondContact O-N 3.35Å; Q479-F482 VanDerWaalsContact O-N 3.12Å
480E47.2Very low68.7Low175 Ų17572.5 Ų72.582%0.81835%0.346SS*.Hα-helixtrans-54.2-19.5-177.1-68.7179.6165.800114.6S483E480-S483 PolarHBondContact O-OG 2.89Å
481E47.5Very low68.8Low141 Ų14170.6 Ų70.666%0.65934%0.338SS*.Hα-helixtrans-78.1-19.5180-64.3-169.9-175.500114.7Q479Q479-E481 PolarHBondContact O-N 2.94Å
482F50.1Low68.8Low27 Ų2770.7 Ų70.712%0.11834%0.338CS..Hα-helixtrans-79.3-41.6-177.6-172.7-99.4000112.1R446 T450 D477 Q479 E484 K485 F486R446-F482 HydrophobicContact CB-CZ 4.04Å; R446-F482 HydrophobicContact CG-CE1 4.31Å; R446-F482 HydrophobicContact CG-CZ 4.02Å; T450-F482 WeakPolarHBondContact OG1-CE2 3.35Å; D477-F482 HydrophobicContact CB-CD1 4.36Å; Q479-F482 PolarHBondContact O-N 3.35Å; Q479-F482 VanDerWaalsContact O-N 3.12Å; F482-E484 PolarHBondContact O-N 2.87Å; F482-K485 PolarHBondContact O-N 3.22Å; F482-F486 HydrophobicContact CD1-CD2 4.49Å; F482-F486 AromaticContact CD2-CD2 3.33Å; F482-F486 HydrophobicContact CD2-CD2 3.33Å; F482-F486 AromaticContact CD2-CE2 3.66Å; F482-F486 HydrophobicContact CD2-CE2 3.66Å; F482-F486 HydrophobicContact CD2-CG 4.23Å; F482-F486 HydrophobicContact CE1-CB 4.36Å; F482-F486 HydrophobicContact CE2-CB 4.37Å; F482-F486 AromaticContact CE2-CD2 3.44Å; F482-F486 HydrophobicContact CE2-CD2 3.44Å; F482-F486 VanDerWaalsContact CE2-CD2 3.44Å; F482-F486 AromaticContact CE2-CE2 3.85Å; F482-F486 HydrophobicContact CE2-CE2 3.85Å; F482-F486 AromaticContact CE2-CG 3.93Å; F482-F486 HydrophobicContact CE2-CG 3.93Å; F482-F486 AromaticContact CG-CD2 3.9Å; F482-F486 HydrophobicContact CG-CD2 3.9Å; F482-F486 HydrophobicContact CZ-CB 4.18Å; F482-F486 HydrophobicContact CZ-CD2 4.1Å; F482-F486 HydrophobicContact CZ-CG 4.2Å; F482-F486 VanDerWaalsContact O-CD2 3.29Å; F482-F486 WeakPolarHBondContact O-CD2 3.44Å; F482-F486 PolarHBondContact O-N 2.86Å; F482-F486 VanDerWaalsContact O-N 3.13Å
483S53.8Low68.7Low43 Ų4367.9 Ų67.930%0.30133%0.325SS..Hα-helixtrans-65.5-40.8-170.958.60000113E480 T487E480-S483 PolarHBondContact O-OG 2.89Å; S483-T487 WeakPolarHBondContact O-CB 3.43Å; S483-T487 WeakPolarHBondContact O-CG2 3.25Å; S483-T487 PolarHBondContact O-N 2.98Å; S483-T487 PolarHBondContact O-OG1 3.14Å
484E59.4Low68.8Low162 Ų16264.7 Ų64.776%0.75731%0.308SS*.Hα-helixtrans-73.7-34.1179.2-67.8-17217000112.9R360 F482R360-E484 PolarHBondContact NH1-O 3.43Å; F482-E484 PolarHBondContact O-N 2.87Å
485K64.5Low68.6Low112 Ų11269 Ų6949%0.48733%0.331SS..Hα-helixtrans-84.4-22.2-173.7-72.4-178.4-177.7173.60114.1R360 F482R360-K485 PolarHBondContact NH1-O 2.99Å; F482-K485 PolarHBondContact O-N 3.22Å
486F71.4Confident68.5Low19 Ų1969.6 Ų69.68%0.08334%0.337CS..Hα-helixtrans-118.1-7.8-174.1-63.4-75.8000115.1M449 T450 Y459 F482M449-F486 WeakPolarHBondContact O-CD1 3.34Å; M449-F486 WeakPolarHBondContact O-CE1 3.3Å; T450-F486 HydrophobicContact CG2-CE1 4.49Å; T450-F486 HydrophobicContact CG2-CE2 4.5Å; T450-F486 HydrophobicContact CG2-CZ 3.94Å; Y459-F486 PolarHBondContact OH-O 3.23Å; F482-F486 HydrophobicContact CD1-CD2 4.49Å; F482-F486 AromaticContact CD2-CD2 3.33Å; F482-F486 HydrophobicContact CD2-CD2 3.33Å; F482-F486 AromaticContact CD2-CE2 3.66Å; F482-F486 HydrophobicContact CD2-CE2 3.66Å; F482-F486 HydrophobicContact CD2-CG 4.23Å; F482-F486 HydrophobicContact CE1-CB 4.36Å; F482-F486 HydrophobicContact CE2-CB 4.37Å; F482-F486 AromaticContact CE2-CD2 3.44Å; F482-F486 HydrophobicContact CE2-CD2 3.44Å; F482-F486 VanDerWaalsContact CE2-CD2 3.44Å; F482-F486 AromaticContact CE2-CE2 3.85Å; F482-F486 HydrophobicContact CE2-CE2 3.85Å; F482-F486 AromaticContact CE2-CG 3.93Å; F482-F486 HydrophobicContact CE2-CG 3.93Å; F482-F486 AromaticContact CG-CD2 3.9Å; F482-F486 HydrophobicContact CG-CD2 3.9Å; F482-F486 HydrophobicContact CZ-CB 4.18Å; F482-F486 HydrophobicContact CZ-CD2 4.1Å; F482-F486 HydrophobicContact CZ-CG 4.2Å; F482-F486 VanDerWaalsContact O-CD2 3.29Å; F482-F486 WeakPolarHBondContact O-CD2 3.44Å; F482-F486 PolarHBondContact O-N 2.86Å; F482-F486 VanDerWaalsContact O-N 3.13Å
487T78.9Confident68.7Low20 Ų2069.2 Ų69.212%0.12334%0.341CS..SBendtrans-64.8142.1174.240.30000112.4R360 F475 S483 L547R360-T487 WeakPolarHBondContact CD-O 3.25Å; R360-T487 PolarHBondContact NE-O 3.42Å; R360-T487 VanDerWaalsContact NE-O 3.17Å; R360-T487 PolarHBondContact NH1-O 3.24Å; R360-T487 VanDerWaalsContact NH1-O 3.07Å; R360-T487 PolarHBondContact NH2-O 3.05Å; F475-T487 HydrophobicContact CB-CG2 4.08Å; F475-T487 HydrophobicContact CD1-CG2 3.91Å; F475-T487 HydrophobicContact CG-CG2 4.17Å; S483-T487 WeakPolarHBondContact O-CB 3.43Å; S483-T487 WeakPolarHBondContact O-CG2 3.25Å; S483-T487 PolarHBondContact O-N 2.98Å; S483-T487 PolarHBondContact O-OG1 3.14Å; T487-L547 HydrophobicContact CG2-CD1 4.23Å
488P82.9Confident69.4Low1 Ų170.2 Ų70.21%0.00634%0.344CS..  trans-66.1137177.427.5-34.1000110.6C362 F475 V491 F544 I549C362-P488 HydrophobicContact CB-CB 3.85Å; C362-P488 HydrophobicContact CB-CG 3.94Å; F475-P488 VanDerWaalsContact CE1-CD 3.47Å; F475-P488 HydrophobicContact CE1-CG 4.48Å; F475-P488 HydrophobicContact CZ-CG 4.11Å; P488-V491 HydrophobicContact CG-CG2 4.29Å; P488-F544 HydrophobicContact CG-CD1 4.38Å; P488-F544 HydrophobicContact CG-CE1 3.55Å; P488-F544 HydrophobicContact CG-CZ 4.05Å; P488-I549 VanDerWaalsContact O-CD1 3.24Å; P488-I549 WeakPolarHBondContact O-CD1 3.5Å
489E79.4Confident70.5Confident105 Ų10565.2 Ų65.249%0.49132%0.319SS..SBendtrans-83.1-29.8175.5-173.5176.5179.700111.2R360R360-E489 PolarHBondContact O-N 3.2Å
490F81.4Confident71.8Confident30 Ų3060.3 Ų60.313%0.13230%0.295CS..EExtended strand (participates in β ladder)trans-121.6122.9-179.6-58.7-78000110.7L359 R360 V361 C362 C574L359-F490 HydrophobicContact CD1-CD2 3.86Å; L359-F490 HydrophobicContact CD1-CE2 3.55Å; L359-F490 HydrophobicContact CG-CD2 4.5Å; R360-F490 PolarHBondContact O-N 2.93Å; V361-F490 CarbonylContact C-O 3.59Å; V361-F490 WeakPolarHBondContact CA-O 3.39Å; V361-F490 HydrophobicContact CG1-CB 4.36Å; V361-F490 HydrophobicContact CG2-CB 4.35Å; C362-F490 PolarHBondContact N-O 2.86Å; F490-C574 HydrophobicContact CE1-CB 3.63Å; F490-C574 HydrophobicContact CZ-CB 3.82Å
491V82.8Confident73.3Confident1 Ų152 Ų521%0.00626%0.256CS..EExtended strand (participates in β ladder)trans-111114172.2-179.60000108.3C362 L364 P488 V493 F544 I549 P551 V552C362-V491 HydrophobicContact CB-CG2 4.33Å; C362-V491 CarbonylContact O-C 3.57Å; C362-V491 WeakPolarHBondContact O-CA 3.33Å; L364-V491 HydrophobicContact CD1-CG1 3.8Å; L364-V491 HydrophobicContact CG-CG1 4.36Å; P488-V491 HydrophobicContact CG-CG2 4.29Å; V491-V493 HydrophobicContact CG1-CG2 4.31Å; V491-F544 HydrophobicContact CG1-CD2 4.12Å; V491-F544 HydrophobicContact CG1-CE2 4.36Å; V491-F544 HydrophobicContact CG2-CB 4.34Å; V491-F544 HydrophobicContact CG2-CD1 3.88Å; V491-F544 HydrophobicContact CG2-CD2 3.94Å; V491-F544 HydrophobicContact CG2-CE1 4.13Å; V491-F544 HydrophobicContact CG2-CE2 4.16Å; V491-F544 HydrophobicContact CG2-CG 3.79Å; V491-F544 HydrophobicContact CG2-CZ 4.26Å; V491-I549 HydrophobicContact CB-CG2 4.49Å; V491-I549 HydrophobicContact CG2-CG2 3.77Å; V491-P551 HydrophobicContact CB-CB 4.47Å; V491-P551 HydrophobicContact CG1-CB 4.24Å; V491-V552 PolarHBondContact O-N 2.96Å
492L82.9Confident74.8Confident2 Ų246.5 Ų46.51%0.0123%0.233CC..EExtended strand (participates in β ladder)trans-103121.6179.1-59.6-179.5000109.3V361 C362 I363 L364 L374 I378 V552 L554 A567 I571V361-L492 HydrophobicContact CG1-CD1 3.95Å; V361-L492 HydrophobicContact CG1-CG 4.15Å; C362-L492 PolarHBondContact O-N 2.86Å; I363-L492 WeakPolarHBondContact CA-O 3.37Å; I363-L492 HydrophobicContact CG1-CB 4.27Å; I363-L492 HydrophobicContact CG1-CD1 4.33Å; L364-L492 PolarHBondContact N-O 2.91Å; L374-L492 HydrophobicContact CD2-CD1 4.28Å; I378-L492 HydrophobicContact CD1-CD1 4.01Å; L492-V552 HydrophobicContact CD2-CB 4.04Å; L492-V552 HydrophobicContact CD2-CG1 4.47Å; L492-L554 HydrophobicContact CB-CD1 4.36Å; L492-L554 HydrophobicContact CD2-CD1 4.44Å; L492-A567 HydrophobicContact CD1-CB 4.29Å; L492-I571 HydrophobicContact CD1-CD1 4.43Å
493V82.2Confident75.9Confident4 Ų446.7 Ų46.72%0.02424%0.235CC..EExtended strand (participates in β ladder)trans-110115.1179.6-172.20000108.8L364 V491 L541 P551 V552 L553 L554L364-V493 HydrophobicContact CB-CG2 4.45Å; L364-V493 WeakPolarHBondContact O-CA 3.41Å; V491-V493 HydrophobicContact CG1-CG2 4.31Å; V493-L541 HydrophobicContact CG2-CD2 3.5Å; V493-L541 VanDerWaalsContact CG2-CD2 3.5Å; V493-P551 HydrophobicContact CG2-CB 3.89Å; V493-V552 PolarHBondContact N-O 3Å; V493-L553 HydrophobicContact CB-CD2 4.1Å; V493-L553 HydrophobicContact CB-CG 4.45Å; V493-L553 HydrophobicContact CG1-CD2 3.96Å; V493-L554 PolarHBondContact O-N 3.11Å
494L82.3Confident77.1Confident0 Ų047.2 Ų47.20%023%0.23CC..EExtended strand (participates in β ladder)trans-85.6125.1171.7-58.6-173000108.8I363 L364 G365 P366 V369 K371 L374 L554 L563I363-L494 HydrophobicContact CG2-CD1 4.46Å; L364-L494 PolarHBondContact O-N 3.32Å; G365-L494 VanDerWaalsContact CA-O 3.28Å; G365-L494 WeakPolarHBondContact CA-O 3.33Å; P366-L494 WeakPolarHBondContact CD-O 3.36Å; V369-L494 HydrophobicContact CG1-CB 3.88Å; V369-L494 HydrophobicContact CG1-CD1 3.9Å; V369-L494 HydrophobicContact CG2-CB 3.89Å; V369-L494 HydrophobicContact CG2-CD1 4.48Å; K371-L494 HydrophobicContact CG-CD1 4.06Å; L374-L494 HydrophobicContact CD2-CD1 4.41Å; L374-L494 HydrophobicContact CD2-CD2 4.36Å; L494-L554 HydrophobicContact CD2-CB 3.8Å; L494-L554 HydrophobicContact CD2-CD1 3.65Å; L494-L554 HydrophobicContact CD2-CG 4.32Å; L494-L563 HydrophobicContact CD1-CD2 3.94Å; L494-L563 HydrophobicContact CD2-CD2 3.47Å; L494-L563 VanDerWaalsContact CD2-CD2 3.47Å; L494-L563 HydrophobicContact CD2-CG 4.09Å; L494-L563 HydrophobicContact CG-CD2 4.29Å
495D78.1Confident78.1Confident90 Ų9039.5 Ų39.548%0.48119%0.194SC..  trans-116.2138.7173.5-168.418.7000111.2L553D495-L553 HydrophobicContact CB-CD2 4.48Å
496A77.8Confident78.7Confident15 Ų1535.9 Ų35.912%0.12418%0.18CC..  trans-152.6145.2-179.100000111.5V369 F500 L501V369-A496 HydrophobicContact CG2-CB 3.75Å; A496-F500 HydrophobicContact CB-CD1 3.95Å; A496-L501 HydrophobicContact CB-CD1 4.49Å; A496-L501 HydrophobicContact CB-CD2 3.88Å; A496-L501 HydrophobicContact CB-CG 4.09Å
497T77.6Confident79Confident87 Ų8739.4 Ų39.453%0.53420%0.199SC..  trans-66.3149.5176.866.20000111.8F499 F500 L501T497-F499 PolarHBondContact O-N 3.47Å; T497-F500 PolarHBondContact O-N 3.46Å; T497-F500 VanDerWaalsContact O-N 3.11Å; T497-F500 PolarHBondContact OG1-N 2.88Å; T497-L501 WeakPolarHBondContact O-CG 3.49Å; T497-L501 PolarHBondContact O-N 2.74Å
498E75.6Confident79Confident81 Ų8141.2 Ų41.238%0.37921%0.208SC..Hα-helixtrans-52.5-44.9176-150171.6146.500111.8F500 L501 T502 L527 R531E498-F500 VanDerWaalsContact C-N 3.28Å; E498-F500 PolarHBondContact O-N 2.97Å; E498-L501 PolarHBondContact O-N 3.1Å; E498-L501 VanDerWaalsContact O-N 3.11Å; E498-T502 PolarHBondContact O-N 3Å; E498-T502 PolarHBondContact O-OG1 3.14Å; E498-L527 HydrophobicContact CG-CD1 4.25Å; E498-L527 HydrophobicContact CG-CD2 4Å; E498-R531 VanDerWaalsContact CB-NH2 3.28Å; E498-R531 IonicContact OE2-CZ 2.72Å; E498-R531 IonicContact OE2-NH1 2.83Å; E498-R531 PolarHBondContact OE2-NH1 3.1Å; E498-R531 IonicContact OE2-NH2 3.02Å
499F73.5Confident78.7Confident102 Ų10244.9 Ų44.945%0.44723%0.232SC..Hα-helixtrans-57-42.8-178.5178.6-97.1000112.1T497 D503 M621 R624T497-F499 PolarHBondContact O-N 3.47Å; F499-D503 VanDerWaalsContact O-CB 3.31Å; F499-D503 WeakPolarHBondContact O-CB 3.33Å; F499-D503 PolarHBondContact O-N 3.28Å; F499-M621 HydrophobicContact CE2-CE 4.3Å; F499-M621 HydrophobicContact CE2-CG 4.26Å; F499-R624 VanDerWaalsContact CZ-NH1 3.27Å
500F78.1Confident78.3Confident49 Ų4946.2 Ų46.222%0.21524%0.238CC..Hα-helixtrans-66.3-43.6177.5175.7-97.3000111.8A496 T497 E498 D503 R504 V557A496-F500 HydrophobicContact CB-CD1 3.95Å; T497-F500 PolarHBondContact O-N 3.46Å; T497-F500 VanDerWaalsContact O-N 3.11Å; T497-F500 PolarHBondContact OG1-N 2.88Å; E498-F500 VanDerWaalsContact C-N 3.28Å; E498-F500 PolarHBondContact O-N 2.97Å; F500-D503 PolarHBondContact O-N 3.35Å; F500-R504 WeakPolarHBondContact O-CB 3.27Å; F500-R504 PolarHBondContact O-N 3.48Å; F500-V557 HydrophobicContact CE1-CB 4.01Å; F500-V557 HydrophobicContact CE1-CG1 4.04Å; F500-V557 WeakPolarHBondContact CE2-O 3.19Å; F500-V557 HydrophobicContact CZ-CB 4.17Å; F500-V557 HydrophobicContact CZ-CG1 3.98Å; F500-V557 WeakPolarHBondContact CZ-O 3.49Å
501L79.3Confident77.7Confident1 Ų152 Ų521%0.00527%0.266CS..Hα-helixtrans-66.4-44.2-179-60.5172.8000111.4P366 P367 V369 A496 T497 E498 R504 V505 F523 L527P366-L501 HydrophobicContact CB-CD1 3.65Å; P366-L501 HydrophobicContact CG-CD1 3.7Å; P366-L501 HydrophobicContact CG-CD2 4.46Å; P367-L501 WeakPolarHBondContact O-CD2 3.22Å; V369-L501 HydrophobicContact CB-CD2 3.8Å; V369-L501 HydrophobicContact CG2-CD2 4.23Å; A496-L501 HydrophobicContact CB-CD1 4.49Å; A496-L501 HydrophobicContact CB-CD2 3.88Å; A496-L501 HydrophobicContact CB-CG 4.09Å; T497-L501 WeakPolarHBondContact O-CG 3.49Å; T497-L501 PolarHBondContact O-N 2.74Å; E498-L501 PolarHBondContact O-N 3.1Å; E498-L501 VanDerWaalsContact O-N 3.11Å; L501-R504 PolarHBondContact O-N 3.43Å; L501-V505 WeakPolarHBondContact O-CG2 3.27Å; L501-V505 PolarHBondContact O-N 3.37Å; L501-F523 HydrophobicContact CB-CZ 3.95Å; L501-L527 HydrophobicContact CB-CD1 4.49Å; L501-L527 HydrophobicContact CD1-CD1 3.69Å
502T78Confident77.2Confident26 Ų2654.2 Ų54.216%0.1628%0.279CS..Hα-helixtrans-63.2-45.4176.7-47.50000110.9E498 R504 V505 I506 W628E498-T502 PolarHBondContact O-N 3Å; E498-T502 PolarHBondContact O-OG1 3.14Å; T502-R504 VanDerWaalsContact C-N 3.3Å; T502-R504 PolarHBondContact O-N 3.26Å; T502-V505 PolarHBondContact O-N 3.49Å; T502-I506 HydrophobicContact CG2-CD1 4.33Å; T502-I506 VanDerWaalsContact O-CG1 3.23Å; T502-I506 WeakPolarHBondContact O-CG1 3.33Å; T502-I506 PolarHBondContact O-N 3.33Å; T502-W628 HydrophobicContact CG2-CD2 4.31Å; T502-W628 HydrophobicContact CG2-CE3 3.82Å; T502-W628 HydrophobicContact CG2-CH2 3.7Å; T502-W628 HydrophobicContact CG2-CZ2 4.21Å; T502-W628 HydrophobicContact CG2-CZ3 3.48Å; T502-W628 VanDerWaalsContact CG2-CZ3 3.48Å
503D75Confident76.7Confident30 Ų3054.4 Ų54.416%0.1628%0.28CS..Hα-helixtrans-61.1-38.7176.4-169.675.6000112.1F499 F500 I506 N507 R624F499-D503 VanDerWaalsContact O-CB 3.31Å; F499-D503 WeakPolarHBondContact O-CB 3.33Å; F499-D503 PolarHBondContact O-N 3.28Å; F500-D503 PolarHBondContact O-N 3.35Å; D503-I506 PolarHBondContact O-N 3.5Å; D503-N507 PolarHBondContact O-N 3.14Å; D503-N507 PolarHBondContact O-ND2 3.03Å; D503-N507 PolarHBondContact OD2-ND2 2.98Å; D503-R624 IonicContact OD1-CZ 3.48Å; D503-R624 IonicContact OD1-NE 3.97Å; D503-R624 PolarHBondContact OD1-NE 3.41Å; D503-R624 IonicContact OD1-NH1 2.69Å; D503-R624 PolarHBondContact OD1-NH1 2.98Å; D503-R624 IonicContact OD1-NH2 3.51Å; D503-R624 IonicContact OD2-CZ 3.9Å; D503-R624 IonicContact OD2-NH1 3.14Å; D503-R624 IonicContact OD2-NH2 3.5Å
504R78.3Confident76Confident55 Ų5560.8 Ų60.821%0.20831%0.31CS..Hα-helixtrans-64.8-44.1176.2-170169.8176144.810.9111.7A368 V369 F500 L501 T502 N507 L508 D560A368-R504 VanDerWaalsContact O-CD 3.31Å; A368-R504 WeakPolarHBondContact O-CD 3.4Å; A368-R504 PolarHBondContact O-NE 3.47Å; V369-R504 PolarHBondContact O-NH1 3.29Å; F500-R504 WeakPolarHBondContact O-CB 3.27Å; F500-R504 PolarHBondContact O-N 3.48Å; L501-R504 PolarHBondContact O-N 3.43Å; T502-R504 VanDerWaalsContact C-N 3.3Å; T502-R504 PolarHBondContact O-N 3.26Å; R504-N507 PolarHBondContact O-N 3.21Å; R504-L508 WeakPolarHBondContact O-CG 3.34Å; R504-L508 PolarHBondContact O-N 3.19Å; R504-D560 IonicContact CZ-OD1 3.48Å; R504-D560 IonicContact NH1-OD1 3.92Å; R504-D560 PolarHBondContact NH1-OD1 3.38Å; R504-D560 IonicContact NH2-OD1 3.4Å; R504-D560 PolarHBondContact NH2-OD1 2.94Å; R504-D560 IonicContact NH2-OD2 2.69Å; R504-D560 PolarHBondContact NH2-OD2 3.39Å
505V80.2Confident75.5Confident0 Ų066.8 Ų66.80%034%0.342CS..Hα-helixtrans-64-40.5178.1173.90000111.8A368 L501 T502 N507 L508 F523 W631A368-V505 HydrophobicContact CB-CG2 3.5Å; A368-V505 VanDerWaalsContact CB-CG2 3.5Å; L501-V505 WeakPolarHBondContact O-CG2 3.27Å; L501-V505 PolarHBondContact O-N 3.37Å; T502-V505 PolarHBondContact O-N 3.49Å; V505-N507 PolarHBondContact O-N 2.85Å; V505-L508 WeakPolarHBondContact O-CB 3.33Å; V505-L508 PolarHBondContact O-N 3.37Å; V505-F523 HydrophobicContact CG2-CD1 4.45Å; V505-F523 HydrophobicContact CG2-CD2 4.06Å; V505-F523 HydrophobicContact CG2-CE1 4.21Å; V505-F523 HydrophobicContact CG2-CE2 3.79Å; V505-F523 HydrophobicContact CG2-CG 4.39Å; V505-F523 HydrophobicContact CG2-CZ 3.88Å; V505-W631 HydrophobicContact CG1-CH2 4.39Å; V505-W631 HydrophobicContact CG1-CZ3 4.49Å
506I78Confident75.1Confident36 Ų3666.3 Ų66.319%0.18534%0.339CS..Hα-helixtrans-58.7-37.9176.7-67.5167.9000112.1T502 D503 L508 W628T502-I506 HydrophobicContact CG2-CD1 4.33Å; T502-I506 VanDerWaalsContact O-CG1 3.23Å; T502-I506 WeakPolarHBondContact O-CG1 3.33Å; T502-I506 PolarHBondContact O-N 3.33Å; D503-I506 PolarHBondContact O-N 3.5Å; I506-L508 VanDerWaalsContact C-N 3.29Å; I506-W628 HydrophobicContact CD1-CD2 4.41Å; I506-W628 HydrophobicContact CD1-CE3 3.41Å; I506-W628 VanDerWaalsContact CD1-CE3 3.41Å; I506-W628 HydrophobicContact CD1-CZ3 3.96Å; I506-W628 HydrophobicContact CG1-CE3 3.25Å; I506-W628 HydrophobicContact CG1-CZ3 3.41Å; I506-W628 VanDerWaalsContact CG1-CZ3 3.41Å
507N76.5Confident74.6Confident92 Ų9266 Ų6649%0.49234%0.338SS..THydrogen-bonded Turntrans-87.72.8-174.6-63.9-45.2000112.6D503 R504 V505D503-N507 PolarHBondContact O-N 3.14Å; D503-N507 PolarHBondContact O-ND2 3.03Å; D503-N507 PolarHBondContact OD2-ND2 2.98Å; R504-N507 PolarHBondContact O-N 3.21Å; V505-N507 PolarHBondContact O-N 2.85Å
508L78.4Confident74.6Confident58 Ų5863.7 Ų63.730%0.30432%0.319SS..SBendtrans-80.1147.6175.1-75.1173.5000111.6R504 V505 I506 V513 Y518R504-L508 WeakPolarHBondContact O-CG 3.34Å; R504-L508 PolarHBondContact O-N 3.19Å; V505-L508 WeakPolarHBondContact O-CB 3.33Å; V505-L508 PolarHBondContact O-N 3.37Å; I506-L508 VanDerWaalsContact C-N 3.29Å; L508-V513 HydrophobicContact CB-CG2 3.87Å; L508-Y518 HydrophobicContact CD1-CD2 4.21Å
509P76.6Confident74.6Confident79 Ų7963.4 Ų63.451%0.51332%0.318SS..  trans-59.2141.7170.7-21.531.5000112.5E511 T512 V513P509-E511 VanDerWaalsContact C-N 3.27Å; P509-E511 PolarHBondContact O-N 2.87Å; P509-T512 HydrophobicContact CB-CG2 4.39Å; P509-T512 WeakPolarHBondContact CD-OG1 3.28Å; P509-T512 HydrophobicContact CG-CG2 4.44Å; P509-T512 PolarHBondContact O-N 3.11Å; P509-T512 PolarHBondContact O-OG1 3.4Å; P509-V513 PolarHBondContact O-N 3.16Å; P509-V513 VanDerWaalsContact O-N 3.14Å
510E71.1Confident74.4Confident132 Ų13259 Ų5962%0.61730%0.3SS*.Hα-helixtrans-56-37.8-178.6-71.2-179.7169.300113.3T512 V513 Q514E510-T512 VanDerWaalsContact C-N 3.34Å; E510-T512 PolarHBondContact O-N 3.1Å; E510-V513 PolarHBondContact O-N 2.96Å; E510-V513 VanDerWaalsContact O-N 3.16Å; E510-Q514 WeakPolarHBondContact O-CG 3.28Å; E510-Q514 PolarHBondContact O-N 3.31Å
511E70.5Confident74.2Confident153 Ų15363.1 Ų63.172%0.71532%0.32SS*.Hα-helixtrans-56.1-47.7174.9-65.1178.1176.400111.3P509 V513 Q514 D515P509-E511 VanDerWaalsContact C-N 3.27Å; P509-E511 PolarHBondContact O-N 2.87Å; E511-V513 VanDerWaalsContact C-N 3.31Å; E511-V513 PolarHBondContact O-N 3.46Å; E511-Q514 PolarHBondContact O-N 2.88Å; E511-D515 PolarHBondContact O-N 3.22Å
512T70.8Confident74Confident47 Ų4767.8 Ų67.829%0.28834%0.34SS..Hα-helixtrans-70.4-27.1179.863.40000113.2P509 E510 L516P509-T512 HydrophobicContact CB-CG2 4.39Å; P509-T512 WeakPolarHBondContact CD-OG1 3.28Å; P509-T512 HydrophobicContact CG-CG2 4.44Å; P509-T512 PolarHBondContact O-N 3.11Å; P509-T512 PolarHBondContact O-OG1 3.4Å; E510-T512 VanDerWaalsContact C-N 3.34Å; E510-T512 PolarHBondContact O-N 3.1Å; T512-L516 VanDerWaalsContact O-CB 3.29Å; T512-L516 WeakPolarHBondContact O-CB 3.42Å; T512-L516 WeakPolarHBondContact O-CD1 3.26Å; T512-L516 VanDerWaalsContact O-CG 3.23Å; T512-L516 WeakPolarHBondContact O-CG 3.24Å; T512-L516 PolarHBondContact O-N 3.38Å; T512-L516 VanDerWaalsContact O-N 3.13Å
513V72.3Confident74.1Confident6 Ų666.5 Ų66.54%0.03633%0.332CS..Hα-helixtrans-71.4-40.7176.7173.90000110.3L508 P509 E510 E511 G517 Y518 W631L508-V513 HydrophobicContact CB-CG2 3.87Å; P509-V513 PolarHBondContact O-N 3.16Å; P509-V513 VanDerWaalsContact O-N 3.14Å; E510-V513 PolarHBondContact O-N 2.96Å; E510-V513 VanDerWaalsContact O-N 3.16Å; E511-V513 VanDerWaalsContact C-N 3.31Å; E511-V513 PolarHBondContact O-N 3.46Å; V513-G517 PolarHBondContact O-N 2.65Å; V513-G517 VanDerWaalsContact O-N 3.09Å; V513-Y518 WeakPolarHBondContact CG1-O 3.43Å; V513-Y518 PolarHBondContact O-N 3.03Å; V513-W631 HydrophobicContact CG1-CH2 3.94Å; V513-W631 HydrophobicContact CG1-CZ2 3.96Å; V513-W631 HydrophobicContact CG2-CH2 4.45Å
514Q68.9Low74.3Confident137 Ų13768.3 Ų68.364%0.6434%0.341SS*.Hα-helixtrans-66.6-48.7175.7-69.3176.95.100111E510 E511 L516 G517E510-Q514 WeakPolarHBondContact O-CG 3.28Å; E510-Q514 PolarHBondContact O-N 3.31Å; E511-Q514 PolarHBondContact O-N 2.88Å; Q514-L516 VanDerWaalsContact C-N 3.35Å; Q514-L516 PolarHBondContact O-N 2.86Å; Q514-G517 PolarHBondContact O-N 3Å; Q514-G517 VanDerWaalsContact O-N 3.15Å
515D70.7Confident74.4Confident127 Ų12768.9 Ų68.968%0.67935%0.354SS*.Hα-helixtrans-61.2-39.8-179.2-71.1-18.6000113.2E511 G517E511-D515 PolarHBondContact O-N 3.22Å; D515-G517 VanDerWaalsContact C-N 3.34Å
516L69.8Low74.4Confident79 Ų7973.5 Ų73.541%0.41437%0.371SS..Hα-helixtrans-86.3-8.7-179.2-62172.7000112.8T512 Q514 Y518 R526T512-L516 VanDerWaalsContact O-CB 3.29Å; T512-L516 WeakPolarHBondContact O-CB 3.42Å; T512-L516 WeakPolarHBondContact O-CD1 3.26Å; T512-L516 VanDerWaalsContact O-CG 3.23Å; T512-L516 WeakPolarHBondContact O-CG 3.24Å; T512-L516 PolarHBondContact O-N 3.38Å; T512-L516 VanDerWaalsContact O-N 3.13Å; Q514-L516 VanDerWaalsContact C-N 3.35Å; Q514-L516 PolarHBondContact O-N 2.86Å; L516-Y518 HydrophobicContact CB-CD2 3.57Å; L516-Y518 HydrophobicContact CB-CE2 3.63Å; L516-Y518 HydrophobicContact CB-CG 4.14Å; L516-Y518 HydrophobicContact CD1-CD2 3.96Å; L516-Y518 HydrophobicContact CD1-CE2 3.57Å; L516-Y518 HydrophobicContact CG-CD2 4.42Å; L516-Y518 HydrophobicContact CG-CE2 4.2Å; L516-R526 PolarHBondContact O-NH1 2.92Å
517G68.6Low74.6Confident10 Ų1072 Ų7210%0.10336%0.364CS..THydrogen-bonded Turntrans63.542.9-175.400000112.2V513 Q514 D515 E519 R526V513-G517 PolarHBondContact O-N 2.65Å; V513-G517 VanDerWaalsContact O-N 3.09Å; Q514-G517 PolarHBondContact O-N 3Å; Q514-G517 VanDerWaalsContact O-N 3.15Å; D515-G517 VanDerWaalsContact C-N 3.34Å; G517-E519 VanDerWaalsContact C-N 3.29Å; G517-R526 PolarHBondContact O-NH1 3.26Å
518Y75.9Confident74.8Confident37 Ų3770.3 Ų70.315%0.14536%0.362CS..  trans-93.726.3176-69.2-37.8000113.2P367 A368 L508 V513 L516 F523P367-Y518 HydrophobicContact CB-CE1 4.16Å; A368-Y518 HydrophobicContact CB-CE1 4.45Å; A368-Y518 HydrophobicContact CB-CE2 4.3Å; A368-Y518 PolarHBondContact N-OH 3.28Å; L508-Y518 HydrophobicContact CD1-CD2 4.21Å; V513-Y518 WeakPolarHBondContact CG1-O 3.43Å; V513-Y518 PolarHBondContact O-N 3.03Å; L516-Y518 HydrophobicContact CB-CD2 3.57Å; L516-Y518 HydrophobicContact CB-CE2 3.63Å; L516-Y518 HydrophobicContact CB-CG 4.14Å; L516-Y518 HydrophobicContact CD1-CD2 3.96Å; L516-Y518 HydrophobicContact CD1-CE2 3.57Å; L516-Y518 HydrophobicContact CG-CD2 4.42Å; L516-Y518 HydrophobicContact CG-CE2 4.2Å; Y518-F523 HydrophobicContact CD1-CB 4.5Å; Y518-F523 AromaticContact CD1-CD2 3.77Å; Y518-F523 HydrophobicContact CD1-CD2 3.77Å; Y518-F523 HydrophobicContact CE1-CD2 4.16Å
519E76.1Confident75Confident76 Ų7671.5 Ų71.536%0.35537%0.368SS..  trans-50.1141.3165.7-68.8164-146.900110.1G517 E521 K522 F523G517-E519 VanDerWaalsContact C-N 3.29Å; E519-E521 VanDerWaalsContact C-N 3.31Å; E519-E521 PolarHBondContact O-N 2.65Å; E519-E521 VanDerWaalsContact O-N 3.13Å; E519-K522 HydrophobicContact CB-CB 4.38Å; E519-K522 HydrophobicContact CB-CD 4.29Å; E519-K522 HydrophobicContact CB-CG 4.45Å; E519-K522 PolarHBondContact O-N 2.69Å; E519-K522 IonicContact OE1-NZ 3.79Å; E519-K522 PolarHBondContact OE1-NZ 3.05Å; E519-K522 WeakPolarHBondContact OE2-CD 3.39Å; E519-K522 WeakPolarHBondContact OE2-CE 3.41Å; E519-K522 IonicContact OE2-NZ 2.66Å; E519-K522 PolarHBondContact OE2-NZ 3.24Å; E519-F523 WeakPolarHBondContact O-CB 3.49Å; E519-F523 PolarHBondContact O-N 2.96Å
520P69.8Low75.2Confident10 Ų1069.3 Ų69.37%0.06535%0.349CS..Hα-helixtrans-47.9-47.5-171.4-31.835.7000114.4L524 W628 W631P520-L524 WeakPolarHBondContact O-CB 3.25Å; P520-L524 VanDerWaalsContact O-CG 3.27Å; P520-L524 WeakPolarHBondContact O-CG 3.26Å; P520-L524 PolarHBondContact O-N 3.35Å; P520-L524 VanDerWaalsContact O-N 3.12Å; P520-W628 HydrophobicContact CB-CH2 4.25Å; P520-W628 HydrophobicContact CB-CZ2 3.73Å; P520-W628 HydrophobicContact CG-CZ2 4.35Å; P520-W631 HydrophobicContact CG-CE3 4.1Å; P520-W631 HydrophobicContact CG-CH2 4.32Å; P520-W631 HydrophobicContact CG-CZ3 3.99Å
521E73.2Confident75.7Confident134 Ų13467.2 Ų67.263%0.62634%0.336SS*.Hα-helixtrans-68.3-44.2-179.3-61.9-174.2170.200112.5E519 S525E519-E521 VanDerWaalsContact C-N 3.31Å; E519-E521 PolarHBondContact O-N 2.65Å; E519-E521 VanDerWaalsContact O-N 3.13Å; E521-S525 VanDerWaalsContact O-CB 3.26Å; E521-S525 WeakPolarHBondContact O-CB 3.35Å; E521-S525 PolarHBondContact O-N 2.85Å
522K75.3Confident76.3Confident99 Ų9965.7 Ų65.743%0.4333%0.329SS..Hα-helixtrans-67-40179.5-69.7177.8-176.8154.40111.4E519 R526E519-K522 HydrophobicContact CB-CB 4.38Å; E519-K522 HydrophobicContact CB-CD 4.29Å; E519-K522 HydrophobicContact CB-CG 4.45Å; E519-K522 PolarHBondContact O-N 2.69Å; E519-K522 IonicContact OE1-NZ 3.79Å; E519-K522 PolarHBondContact OE1-NZ 3.05Å; E519-K522 WeakPolarHBondContact OE2-CD 3.39Å; E519-K522 WeakPolarHBondContact OE2-CE 3.41Å; E519-K522 IonicContact OE2-NZ 2.66Å; E519-K522 PolarHBondContact OE2-NZ 3.24Å; K522-R526 WeakPolarHBondContact O-CB 3.33Å; K522-R526 VanDerWaalsContact O-CG 3.3Å; K522-R526 WeakPolarHBondContact O-CG 3.25Å; K522-R526 PolarHBondContact O-N 3.23Å
523F79.9Confident76.7Confident0 Ų065.2 Ų65.20%032%0.324CS..Hα-helixtrans-65.3-49.3178172.7-106.4000111.9P367 A368 L501 V505 Y518 E519 S525 R526 L527P367-F523 HydrophobicContact CB-CD2 4.24Å; P367-F523 HydrophobicContact CB-CE2 3.94Å; P367-F523 HydrophobicContact CG-CD2 4.26Å; P367-F523 HydrophobicContact CG-CE2 3.84Å; A368-F523 HydrophobicContact CB-CE2 3.82Å; A368-F523 HydrophobicContact CB-CZ 4.42Å; L501-F523 HydrophobicContact CB-CZ 3.95Å; V505-F523 HydrophobicContact CG2-CD1 4.45Å; V505-F523 HydrophobicContact CG2-CD2 4.06Å; V505-F523 HydrophobicContact CG2-CE1 4.21Å; V505-F523 HydrophobicContact CG2-CE2 3.79Å; V505-F523 HydrophobicContact CG2-CG 4.39Å; V505-F523 HydrophobicContact CG2-CZ 3.88Å; Y518-F523 HydrophobicContact CD1-CB 4.5Å; Y518-F523 AromaticContact CD1-CD2 3.77Å; Y518-F523 HydrophobicContact CD1-CD2 3.77Å; Y518-F523 HydrophobicContact CE1-CD2 4.16Å; E519-F523 WeakPolarHBondContact O-CB 3.49Å; E519-F523 PolarHBondContact O-N 2.96Å; F523-S525 VanDerWaalsContact C-N 3.32Å; F523-S525 PolarHBondContact O-N 3.49Å; F523-R526 PolarHBondContact O-N 2.7Å; F523-L527 HydrophobicContact CE1-CD1 4.3Å; F523-L527 HydrophobicContact CZ-CD1 3.91Å; F523-L527 WeakPolarHBondContact O-CB 3.27Å; F523-L527 PolarHBondContact O-N 3.13Å
524L79.5Confident76.8Confident68 Ų6867.5 Ų67.536%0.35634%0.335SS..Hα-helixtrans-62.5-40.7178.3-71172.7000111.6P520 L527 A528 W628P520-L524 WeakPolarHBondContact O-CB 3.25Å; P520-L524 VanDerWaalsContact O-CG 3.27Å; P520-L524 WeakPolarHBondContact O-CG 3.26Å; P520-L524 PolarHBondContact O-N 3.35Å; P520-L524 VanDerWaalsContact O-N 3.12Å; L524-L527 PolarHBondContact O-N 3.06Å; L524-A528 WeakPolarHBondContact O-CB 3.44Å; L524-A528 PolarHBondContact O-N 3.18Å; L524-W628 HydrophobicContact CD1-CZ2 4.46Å
525S80.1Confident77Confident66 Ų6668.9 Ų68.946%0.46234%0.342SS..Hα-helixtrans-59.8-49.1174.5-178.50000111.9E521 F523 L527 A528 I529E521-S525 VanDerWaalsContact O-CB 3.26Å; E521-S525 WeakPolarHBondContact O-CB 3.35Å; E521-S525 PolarHBondContact O-N 2.85Å; F523-S525 VanDerWaalsContact C-N 3.32Å; F523-S525 PolarHBondContact O-N 3.49Å; S525-L527 VanDerWaalsContact C-N 3.32Å; S525-L527 PolarHBondContact O-N 3.21Å; S525-A528 PolarHBondContact O-N 3.09Å; S525-I529 VanDerWaalsContact O-CG1 3.29Å; S525-I529 WeakPolarHBondContact O-CG1 3.42Å; S525-I529 PolarHBondContact O-N 2.93Å
526R79.9Confident76.9Confident98 Ų9867.6 Ų67.637%0.3733%0.332SS..Hα-helixtrans-61-39.1176.5-74.5176-179.1172.54.9112.8P367 L516 G517 K522 F523 Y530P367-R526 HydrophobicContact CG-CB 4.41Å; L516-R526 PolarHBondContact O-NH1 2.92Å; G517-R526 PolarHBondContact O-NH1 3.26Å; K522-R526 WeakPolarHBondContact O-CB 3.33Å; K522-R526 VanDerWaalsContact O-CG 3.3Å; K522-R526 WeakPolarHBondContact O-CG 3.25Å; K522-R526 PolarHBondContact O-N 3.23Å; F523-R526 PolarHBondContact O-N 2.7Å; R526-Y530 WeakPolarHBondContact O-CB 3.48Å; R526-Y530 PolarHBondContact O-N 3.29Å
527L82.7Confident76.6Confident5 Ų572.8 Ų72.83%0.02635%0.354CS..Hα-helixtrans-68.8-39178.3-175.7142.1000111.7P367 E498 L501 F523 L524 S525 Y530 R531P367-L527 HydrophobicContact CG-CB 4.04Å; E498-L527 HydrophobicContact CG-CD1 4.25Å; E498-L527 HydrophobicContact CG-CD2 4Å; L501-L527 HydrophobicContact CB-CD1 4.49Å; L501-L527 HydrophobicContact CD1-CD1 3.69Å; F523-L527 HydrophobicContact CE1-CD1 4.3Å; F523-L527 HydrophobicContact CZ-CD1 3.91Å; F523-L527 WeakPolarHBondContact O-CB 3.27Å; F523-L527 PolarHBondContact O-N 3.13Å; L524-L527 PolarHBondContact O-N 3.06Å; S525-L527 VanDerWaalsContact C-N 3.32Å; S525-L527 PolarHBondContact O-N 3.21Å; L527-Y530 PolarHBondContact O-N 3.11Å; L527-R531 WeakPolarHBondContact O-CG 3.37Å; L527-R531 PolarHBondContact O-N 2.83Å; L527-R531 VanDerWaalsContact O-N 3.14Å
528A81.7Confident76.7Confident55 Ų5578.6 Ų78.646%0.45538%0.376SS..Hα-helixtrans-62.9-48.7174.600000111.4L524 S525 Y530 R531 E532L524-A528 WeakPolarHBondContact O-CB 3.44Å; L524-A528 PolarHBondContact O-N 3.18Å; S525-A528 PolarHBondContact O-N 3.09Å; A528-Y530 VanDerWaalsContact C-N 3.33Å; A528-Y530 PolarHBondContact O-N 3.47Å; A528-R531 PolarHBondContact O-N 2.81Å; A528-R531 VanDerWaalsContact O-N 3.16Å; A528-E532 PolarHBondContact O-N 3.43Å
529I81.4Confident76.9Confident84 Ų8477 Ų7743%0.43137%0.371SS..Hα-helixtrans-57.8-45.5176.9-66.3163.3000111.1S525 R531 E532 N533S525-I529 VanDerWaalsContact O-CG1 3.29Å; S525-I529 WeakPolarHBondContact O-CG1 3.42Å; S525-I529 PolarHBondContact O-N 2.93Å; I529-R531 VanDerWaalsContact C-N 3.32Å; I529-R531 PolarHBondContact O-N 2.92Å; I529-E532 PolarHBondContact O-N 2.91Å; I529-N533 VanDerWaalsContact O-CG 3.28Å; I529-N533 PolarHBondContact O-N 2.89Å; I529-N533 PolarHBondContact O-OD1 3.46Å
530Y81.8Confident77.2Confident32 Ų3273.6 Ų73.613%0.12536%0.355CS..Hα-helixtrans-59-43177.9171.9-96.7000112.3G365 P366 R526 L527 A528 M534G365-Y530 WeakPolarHBondContact CA-OH 3.44Å; P366-Y530 HydrophobicContact CB-CD1 3.89Å; P366-Y530 HydrophobicContact CB-CE1 3.75Å; P366-Y530 HydrophobicContact CG-CE1 4.34Å; R526-Y530 WeakPolarHBondContact O-CB 3.48Å; R526-Y530 PolarHBondContact O-N 3.29Å; L527-Y530 PolarHBondContact O-N 3.11Å; A528-Y530 VanDerWaalsContact C-N 3.33Å; A528-Y530 PolarHBondContact O-N 3.47Å; Y530-M534 HydrophobicContact CD1-CG 4.49Å; Y530-M534 HydrophobicContact CD2-CE 4.42Å; Y530-M534 HydrophobicContact CE1-CG 4.05Å; Y530-M534 HydrophobicContact CE2-CE 3.5Å; Y530-M534 HydrophobicContact CE2-CG 4.16Å; Y530-M534 WeakPolarHBondContact O-CG 3.41Å; Y530-M534 PolarHBondContact O-N 2.97Å; Y530-M534 VanDerWaalsContact O-N 3.11Å
531R81.9Confident77.8Confident89 Ų8974.5 Ų74.534%0.33636%0.359SS..Hα-helixtrans-70.8-36.6179.8-74.3-175.3174.8171.55.1112.9E498 L527 A528 I529 M534 Q535E498-R531 VanDerWaalsContact CB-NH2 3.28Å; E498-R531 IonicContact OE2-CZ 2.72Å; E498-R531 IonicContact OE2-NH1 2.83Å; E498-R531 PolarHBondContact OE2-NH1 3.1Å; E498-R531 IonicContact OE2-NH2 3.02Å; L527-R531 WeakPolarHBondContact O-CG 3.37Å; L527-R531 PolarHBondContact O-N 2.83Å; L527-R531 VanDerWaalsContact O-N 3.14Å; A528-R531 PolarHBondContact O-N 2.81Å; A528-R531 VanDerWaalsContact O-N 3.16Å; I529-R531 VanDerWaalsContact C-N 3.32Å; I529-R531 PolarHBondContact O-N 2.92Å; R531-M534 PolarHBondContact O-N 2.6Å; R531-Q535 WeakPolarHBondContact O-CG 3.08Å; R531-Q535 PolarHBondContact O-N 3.35Å; R531-Q535 VanDerWaalsContact O-N 3.15Å
532E82.4Confident78.2Confident121 Ų12170.5 Ų70.557%0.56534%0.342SS*.Hα-helixtrans-59.8-51.7173.5-171.1169.6-160.800109.9A528 I529 M534 Q535 E536A528-E532 PolarHBondContact O-N 3.43Å; I529-E532 PolarHBondContact O-N 2.91Å; E532-M534 PolarHBondContact O-N 3.22Å; E532-Q535 PolarHBondContact O-N 3.3Å; E532-E536 PolarHBondContact O-N 3.48Å; E532-E536 VanDerWaalsContact O-N 3.16Å
533N78.9Confident78.7Confident36 Ų3666 Ų6619%0.19332%0.322CS..Hα-helixtrans-59.8-30177.6-67.6-2000114N466 I529 S539N466-N533 PolarHBondContact O-ND2 3.06Å; N466-N533 VanDerWaalsContact O-ND2 3.1Å; I529-N533 VanDerWaalsContact O-CG 3.28Å; I529-N533 PolarHBondContact O-N 2.89Å; I529-N533 PolarHBondContact O-OD1 3.46Å; N533-S539 WeakPolarHBondContact O-CB 3.42Å
534M74.8Confident78.8Confident54 Ų5466 Ų6627%0.26632%0.322SS..Hα-helixtrans-78.4-23.7176.5-74.7-68.6164.100113.2Y530 R531 E532 L541Y530-M534 HydrophobicContact CD1-CG 4.49Å; Y530-M534 HydrophobicContact CD2-CE 4.42Å; Y530-M534 HydrophobicContact CE1-CG 4.05Å; Y530-M534 HydrophobicContact CE2-CE 3.5Å; Y530-M534 HydrophobicContact CE2-CG 4.16Å; Y530-M534 WeakPolarHBondContact O-CG 3.41Å; Y530-M534 PolarHBondContact O-N 2.97Å; Y530-M534 VanDerWaalsContact O-N 3.11Å; R531-M534 PolarHBondContact O-N 2.6Å; E532-M534 PolarHBondContact O-N 3.22Å; M534-L541 HydrophobicContact CE-CD1 4.5Å; M534-L541 HydrophobicContact CE-CG 4.29Å; M534-L541 HydrophobicContact SD-CD1 3.83Å; M534-L541 HydrophobicContact SD-CG 4.03Å
535Q72.2Confident79Confident167 Ų16768.2 Ų68.278%0.7833%0.331SS*.Hα-helixtrans-88.4-15.3177.6-71.5178.68.400113R531 E532R531-Q535 WeakPolarHBondContact O-CG 3.08Å; R531-Q535 PolarHBondContact O-N 3.35Å; R531-Q535 VanDerWaalsContact O-N 3.15Å; E532-Q535 PolarHBondContact O-N 3.3Å
536E69.8Low79.1Confident100 Ų10071.3 Ų71.347%0.46734%0.338SS..SBendtrans-65.2145.6175.8-72.8-172.9166.900112.2E532 K538 S539E532-E536 PolarHBondContact O-N 3.48Å; E532-E536 VanDerWaalsContact O-N 3.16Å; E536-K538 PolarHBondContact O-N 2.96Å; E536-K538 VanDerWaalsContact O-N 3.09Å; E536-S539 PolarHBondContact O-N 3.26Å
537E61.9Low79.1Confident188 Ų18870 Ų7088%0.87934%0.338SS*.SBendtrans-60.3-19174-67.2-175.7169.700112.7N542E537-N542 PolarHBondContact O-ND2 3.43Å
538K71.3Confident78.8Confident131 Ų13176.9 Ų76.957%0.5738%0.375SS*.SBendtrans-114.968.6173.8-67.1-168.1172.8-156.60110.3Y468 E536Y468-K538 WeakPolarHBondContact CB-O 3.46Å; Y468-K538 HydrophobicContact CD1-CD 4.47Å; Y468-K538 HydrophobicContact CD2-CB 4.01Å; Y468-K538 HydrophobicContact CG-CB 3.97Å; E536-K538 PolarHBondContact O-N 2.96Å; E536-K538 VanDerWaalsContact O-N 3.09Å
539S80.3Confident78.6Confident5 Ų575.3 Ų75.34%0.03536%0.359CS..  trans-80.8162.2173.483.60000111.4N533 E536 L541 N542 Y543N533-S539 WeakPolarHBondContact O-CB 3.42Å; E536-S539 PolarHBondContact O-N 3.26Å; S539-L541 PolarHBondContact O-N 3.47Å; S539-L541 PolarHBondContact OG-N 2.94Å; S539-N542 PolarHBondContact O-N 2.89Å; S539-N542 VanDerWaalsContact OG-CG 3.24Å; S539-N542 PolarHBondContact OG-N 3Å; S539-N542 VanDerWaalsContact OG-N 3.16Å; S539-N542 PolarHBondContact OG-OD1 2.99Å; S539-Y543 PolarHBondContact O-N 2.9Å
540V82.4Confident78.3Confident3 Ų376 Ų762%0.01836%0.362CS..Hα-helixtrans-58.5-33.2171.7177.80000111.6L364 P465 S467 Y543 F544L364-V540 HydrophobicContact CD1-CG1 3.64Å; P465-V540 HydrophobicContact CG-CG1 4.12Å; S467-V540 VanDerWaalsContact CA-CG2 3.42Å; V540-Y543 WeakPolarHBondContact O-CB 3.38Å; V540-Y543 PolarHBondContact O-N 3.44Å; V540-F544 HydrophobicContact CG1-CD2 4Å; V540-F544 HydrophobicContact CG1-CE2 3.58Å; V540-F544 WeakPolarHBondContact O-CD2 3.4Å; V540-F544 PolarHBondContact O-N 2.84Å
541L82.2Confident78.1Confident30 Ų3075.4 Ų75.416%0.15736%0.362CS..Hα-helixtrans-68.1-40.7179.7-56.4-178.2000110.7L364 V493 M534 S539 Y543 F544 E545 P551L364-L541 HydrophobicContact CD1-CD2 4.1Å; V493-L541 HydrophobicContact CG2-CD2 3.5Å; V493-L541 VanDerWaalsContact CG2-CD2 3.5Å; M534-L541 HydrophobicContact CE-CD1 4.5Å; M534-L541 HydrophobicContact CE-CG 4.29Å; M534-L541 HydrophobicContact SD-CD1 3.83Å; M534-L541 HydrophobicContact SD-CG 4.03Å; S539-L541 PolarHBondContact O-N 3.47Å; S539-L541 PolarHBondContact OG-N 2.94Å; L541-Y543 VanDerWaalsContact C-N 3.28Å; L541-Y543 PolarHBondContact O-N 3.06Å; L541-F544 PolarHBondContact O-N 2.92Å; L541-F544 VanDerWaalsContact O-N 3.15Å; L541-E545 WeakPolarHBondContact O-CG 3.27Å; L541-E545 PolarHBondContact O-N 2.63Å; L541-P551 HydrophobicContact CB-CG 4.36Å; L541-P551 HydrophobicContact CD2-CB 4.09Å; L541-P551 HydrophobicContact CD2-CG 4.21Å
542N82.9Confident77.8Confident49 Ų4972.8 Ų72.826%0.26236%0.356SS..Hα-helixtrans-62.2-37.6177.8-60.42.4000111.2E537 S539 F544 E545 E546E537-N542 PolarHBondContact O-ND2 3.43Å; S539-N542 PolarHBondContact O-N 2.89Å; S539-N542 VanDerWaalsContact OG-CG 3.24Å; S539-N542 PolarHBondContact OG-N 3Å; S539-N542 VanDerWaalsContact OG-N 3.16Å; S539-N542 PolarHBondContact OG-OD1 2.99Å; N542-F544 PolarHBondContact O-N 3.38Å; N542-E545 PolarHBondContact O-N 3.39Å; N542-E546 WeakPolarHBondContact O-CG 3.27Å; N542-E546 PolarHBondContact O-N 2.74Å
543Y84.1Confident77.2Confident5 Ų572.7 Ų72.72%0.0236%0.359CS..Hα-helixtrans-58.3-46.1174.1178.6-97.4000112.2Y468 A471 E472 F475 E476 S539 V540 L541 E546 L547Y468-Y543 HydrophobicContact CD2-CD2 4.38Å; Y468-Y543 HydrophobicContact CE1-CD2 4.39Å; Y468-Y543 AromaticContact CE2-CD2 3.93Å; Y468-Y543 HydrophobicContact CE2-CD2 3.93Å; Y468-Y543 HydrophobicContact CE2-CG 4.38Å; Y468-Y543 AromaticContact CZ-CD2 3.91Å; A471-Y543 HydrophobicContact CB-CD1 3.5Å; A471-Y543 HydrophobicContact CB-CD2 4.42Å; A471-Y543 HydrophobicContact CB-CE1 3.85Å; A471-Y543 HydrophobicContact CB-CG 3.82Å; E472-Y543 HydrophobicContact CB-CE2 4.41Å; F475-Y543 HydrophobicContact CB-CE1 4.25Å; F475-Y543 WeakPolarHBondContact CB-OH 3.23Å; F475-Y543 AromaticContact CD2-CE1 3.97Å; F475-Y543 HydrophobicContact CD2-CE1 3.97Å; E476-Y543 HydrophobicContact CG-CE2 4.36Å; S539-Y543 PolarHBondContact O-N 2.9Å; V540-Y543 WeakPolarHBondContact O-CB 3.38Å; V540-Y543 PolarHBondContact O-N 3.44Å; L541-Y543 VanDerWaalsContact C-N 3.28Å; L541-Y543 PolarHBondContact O-N 3.06Å; Y543-E546 PolarHBondContact O-N 3.04Å; Y543-L547 HydrophobicContact CD1-CD1 4.14Å; Y543-L547 HydrophobicContact CE1-CD1 3.48Å; Y543-L547 VanDerWaalsContact CE1-CD1 3.48Å; Y543-L547 HydrophobicContact CE1-CG 4.44Å; Y543-L547 PolarHBondContact O-N 3.19Å
544F83.3Confident76.8Confident0 Ų071.3 Ų71.30%035%0.351CS..Hα-helixtrans-70.4-34.5178.1-70-62.7000112.7L364 P465 F475 P488 V491 V540 L541 N542 E546 L547 D548 I549L364-F544 HydrophobicContact CD1-CE2 4.09Å; P465-F544 HydrophobicContact CG-CZ 4.42Å; F475-F544 HydrophobicContact CD2-CE1 4.48Å; F475-F544 HydrophobicContact CE2-CE1 4.05Å; F475-F544 AromaticContact CE2-CZ 3.89Å; F475-F544 HydrophobicContact CE2-CZ 3.89Å; P488-F544 HydrophobicContact CG-CD1 4.38Å; P488-F544 HydrophobicContact CG-CE1 3.55Å; P488-F544 HydrophobicContact CG-CZ 4.05Å; V491-F544 HydrophobicContact CG1-CD2 4.12Å; V491-F544 HydrophobicContact CG1-CE2 4.36Å; V491-F544 HydrophobicContact CG2-CB 4.34Å; V491-F544 HydrophobicContact CG2-CD1 3.88Å; V491-F544 HydrophobicContact CG2-CD2 3.94Å; V491-F544 HydrophobicContact CG2-CE1 4.13Å; V491-F544 HydrophobicContact CG2-CE2 4.16Å; V491-F544 HydrophobicContact CG2-CG 3.79Å; V491-F544 HydrophobicContact CG2-CZ 4.26Å; V540-F544 HydrophobicContact CG1-CD2 4Å; V540-F544 HydrophobicContact CG1-CE2 3.58Å; V540-F544 WeakPolarHBondContact O-CD2 3.4Å; V540-F544 PolarHBondContact O-N 2.84Å; L541-F544 PolarHBondContact O-N 2.92Å; L541-F544 VanDerWaalsContact O-N 3.15Å; N542-F544 PolarHBondContact O-N 3.38Å; F544-E546 VanDerWaalsContact C-N 3.32Å; F544-E546 PolarHBondContact O-N 2.85Å; F544-L547 CarbonylContact O-C 3.56Å; F544-L547 PolarHBondContact O-N 3.3Å; F544-L547 VanDerWaalsContact O-N 3.13Å; F544-D548 PolarHBondContact O-N 3.12Å; F544-I549 CarbonylContact C-O 3.32Å; F544-I549 VanDerWaalsContact C-O 3.32Å; F544-I549 HydrophobicContact CB-CB 4.25Å; F544-I549 HydrophobicContact CD1-CD1 4.08Å; F544-I549 WeakPolarHBondContact O-CA 3.38Å; F544-I549 WeakPolarHBondContact O-CB 3.41Å; F544-I549 PolarHBondContact O-N 3.44Å; F544-I549 VanDerWaalsContact O-O 3.08Å
545E82.8Confident75.6Confident114 Ų11471.5 Ų71.553%0.53337%0.367SS..Hα-helixtrans-63.6-36.5173.1-71.4177.4-174.900112.3L541 N542 L547 D548 P551L541-E545 WeakPolarHBondContact O-CG 3.27Å; L541-E545 PolarHBondContact O-N 2.63Å; N542-E545 PolarHBondContact O-N 3.39Å; E545-L547 PolarHBondContact O-N 3.16Å; E545-D548 PolarHBondContact O-N 3.17Å; E545-D548 VanDerWaalsContact O-N 3.14Å; E545-P551 HydrophobicContact CG-CG 4.31Å
546E82.9Confident74.5Confident131 Ų13169.4 Ų69.461%0.61236%0.361SS*.Hα-helixtrans-64.4-27173.2-74.1176.3-160.900112.8Y468 N542 Y543 F544 D548Y468-E546 PolarHBondContact OH-OE2 3.25Å; N542-E546 WeakPolarHBondContact O-CG 3.27Å; N542-E546 PolarHBondContact O-N 2.74Å; Y543-E546 PolarHBondContact O-N 3.04Å; F544-E546 VanDerWaalsContact C-N 3.32Å; F544-E546 PolarHBondContact O-N 2.85Å; E546-D548 VanDerWaalsContact C-N 3.3Å
547L79.4Confident73.4Confident72 Ų7265 Ų6538%0.37734%0.341SS..THydrogen-bonded Turntrans-8812174.7-65.4177.8000113.6T487 Y543 F544 E545 I549T487-L547 HydrophobicContact CG2-CD1 4.23Å; Y543-L547 HydrophobicContact CD1-CD1 4.14Å; Y543-L547 HydrophobicContact CE1-CD1 3.48Å; Y543-L547 VanDerWaalsContact CE1-CD1 3.48Å; Y543-L547 HydrophobicContact CE1-CG 4.44Å; Y543-L547 PolarHBondContact O-N 3.19Å; F544-L547 CarbonylContact O-C 3.56Å; F544-L547 PolarHBondContact O-N 3.3Å; F544-L547 VanDerWaalsContact O-N 3.13Å; E545-L547 PolarHBondContact O-N 3.16Å; L547-I549 HydrophobicContact CB-CD1 3.92Å; L547-I549 HydrophobicContact CB-CG1 4.3Å; L547-I549 HydrophobicContact CD1-CD1 4.32Å; L547-I549 PolarHBondContact O-N 3.5Å
548D75.5Confident72.4Confident149 Ų14963.2 Ų63.280%0.79734%0.335SS*.THydrogen-bonded Turntrans59.420-173.9-69.9-43.9000114.2F544 E545 E546F544-D548 PolarHBondContact O-N 3.12Å; E545-D548 PolarHBondContact O-N 3.17Å; E545-D548 VanDerWaalsContact O-N 3.14Å; E546-D548 VanDerWaalsContact C-N 3.3Å
549I78.2Confident71.2Confident22 Ų2263 Ų6311%0.11334%0.336CS..  trans-96.1113.7175.8-60.2158.8000108.9P488 V491 F544 L547 P551P488-I549 VanDerWaalsContact O-CD1 3.24Å; P488-I549 WeakPolarHBondContact O-CD1 3.5Å; V491-I549 HydrophobicContact CB-CG2 4.49Å; V491-I549 HydrophobicContact CG2-CG2 3.77Å; F544-I549 CarbonylContact C-O 3.32Å; F544-I549 VanDerWaalsContact C-O 3.32Å; F544-I549 HydrophobicContact CB-CB 4.25Å; F544-I549 HydrophobicContact CD1-CD1 4.08Å; F544-I549 WeakPolarHBondContact O-CA 3.38Å; F544-I549 WeakPolarHBondContact O-CB 3.41Å; F544-I549 PolarHBondContact O-N 3.44Å; F544-I549 VanDerWaalsContact O-O 3.08Å; L547-I549 HydrophobicContact CB-CD1 3.92Å; L547-I549 HydrophobicContact CB-CG1 4.3Å; L547-I549 HydrophobicContact CD1-CD1 4.32Å; L547-I549 PolarHBondContact O-N 3.5Å; I549-P551 VanDerWaalsContact O-CD 3.27Å; I549-P551 WeakPolarHBondContact O-CD 3.39Å
550I75.7Confident69.5Low99 Ų9966.3 Ų66.351%0.50835%0.353SS..  trans-83.6116.6-176.2-56.8172.7000110.2V552 T584I550-V552 PolarHBondContact O-N 2.99Å; I550-T584 HydrophobicContact CD1-CG2 4.28Å
551P77.7Confident67.7Low19 Ų1972 Ų7212%0.12338%0.383CS..  trans-68.9132.1175.7-1631.2000111.4V491 V493 L541 E545 I549V491-P551 HydrophobicContact CB-CB 4.47Å; V491-P551 HydrophobicContact CG1-CB 4.24Å; V493-P551 HydrophobicContact CG2-CB 3.89Å; L541-P551 HydrophobicContact CB-CG 4.36Å; L541-P551 HydrophobicContact CD2-CB 4.09Å; L541-P551 HydrophobicContact CD2-CG 4.21Å; E545-P551 HydrophobicContact CG-CG 4.31Å; I549-P551 VanDerWaalsContact O-CD 3.27Å; I549-P551 WeakPolarHBondContact O-CD 3.39Å
552V76.2Confident66.1Low34 Ų3473.7 Ų73.721%0.20640%0.395CS..EExtended strand (participates in β ladder)trans-95.7112177.8-178.70000109.7V491 L492 V493 I550 L554V491-V552 PolarHBondContact O-N 2.96Å; L492-V552 HydrophobicContact CD2-CB 4.04Å; L492-V552 HydrophobicContact CD2-CG1 4.47Å; V493-V552 PolarHBondContact N-O 3Å; I550-V552 PolarHBondContact O-N 2.99Å; V552-L554 HydrophobicContact CG1-CD2 4.34Å; V552-L554 PolarHBondContact O-N 3.27Å
553L69.4Low64.6Low118 Ų11872 Ų7262%0.61839%0.385SS*.EExtended strand (participates in β ladder)trans-80.1114.8175-78.5149.4000110.8V493 D495V493-L553 HydrophobicContact CB-CD2 4.1Å; V493-L553 HydrophobicContact CB-CG 4.45Å; V493-L553 HydrophobicContact CG1-CD2 3.96Å; D495-L553 HydrophobicContact CB-CD2 4.48Å
554L70.4Confident62.9Low7 Ų771.8 Ų71.84%0.03739%0.385CS..EExtended strand (participates in β ladder)trans-95.197.1174.8-64.4171.2000108.6L492 V493 L494 V552 L563 D566 A567L492-L554 HydrophobicContact CB-CD1 4.36Å; L492-L554 HydrophobicContact CD2-CD1 4.44Å; V493-L554 PolarHBondContact O-N 3.11Å; L494-L554 HydrophobicContact CD2-CB 3.8Å; L494-L554 HydrophobicContact CD2-CD1 3.65Å; L494-L554 HydrophobicContact CD2-CG 4.32Å; V552-L554 HydrophobicContact CG1-CD2 4.34Å; V552-L554 PolarHBondContact O-N 3.27Å; L554-L563 HydrophobicContact CB-CD1 4.41Å; L554-D566 HydrophobicContact CD2-CB 4.19Å; L554-A567 HydrophobicContact CD1-CB 3.77Å
555G48.5Very low61.5Low58 Ų5878.4 Ų78.460%0.59841%0.414SS*.  trans-85.9141.8-175.900000114.4
556N49.2Very low60.2Low124 Ų12476.4 Ų76.466%0.66341%0.407SS*.  trans6579.6177.1-82.7-15.1000116.1M558N556-M558 PolarHBondContact O-N 3.16Å
557V47.5Very low58.8Low7 Ų770.2 Ų70.24%0.04238%0.378CS..  trans-68.871.8162.7-162.90000110.3V369 F500 L563V369-V557 HydrophobicContact CG2-CG2 3.85Å; F500-V557 HydrophobicContact CE1-CB 4.01Å; F500-V557 HydrophobicContact CE1-CG1 4.04Å; F500-V557 WeakPolarHBondContact CE2-O 3.19Å; F500-V557 HydrophobicContact CZ-CB 4.17Å; F500-V557 HydrophobicContact CZ-CG1 3.98Å; F500-V557 WeakPolarHBondContact CZ-O 3.49Å; V557-L563 HydrophobicContact CB-CD1 4.21Å; V557-L563 HydrophobicContact CG1-CD1 4.42Å; V557-L563 HydrophobicContact CG1-CD2 4.22Å; V557-L563 HydrophobicContact CG2-CD1 3.67Å; V557-L563 HydrophobicContact CG2-CD2 3.92Å; V557-L563 HydrophobicContact CG2-CG 4.46Å
558M41.3Very low57.8Low150 Ų15070.8 Ų70.874%0.73938%0.375SS*.SBendtrans-85.3-24.8171.3-72.2-66.2-153.800111.8N556N556-M558 PolarHBondContact O-N 3.16Å
559E45.4Very low56.9Low128 Ų12865.9 Ų65.960%0.59835%0.352SS*.  trans-151.6136.4175-69.8-176.6167.200111.7N561 V562E559-N561 PolarHBondContact O-N 3.37Å; E559-V562 HydrophobicContact CB-CG2 4.25Å; E559-V562 PolarHBondContact O-N 2.9Å; E559-V562 VanDerWaalsContact O-N 3.08Å
560D44.4Very low55.9Low74 Ų7466.9 Ų66.940%0.39636%0.357SS..Hα-helixtrans-57.5-20.8-179.8-70.9-21.1000113.4R504R504-D560 IonicContact CZ-OD1 3.48Å; R504-D560 IonicContact NH1-OD1 3.92Å; R504-D560 PolarHBondContact NH1-OD1 3.38Å; R504-D560 IonicContact NH2-OD1 3.4Å; R504-D560 PolarHBondContact NH2-OD1 2.94Å; R504-D560 IonicContact NH2-OD2 2.69Å; R504-D560 PolarHBondContact NH2-OD2 3.39Å
561N45.4Very low55.2Low121 Ų12162.3 Ų62.365%0.64733%0.333SS*.Hα-helixtrans-83-23.1179.2-88.2-30.3000114.7E559E559-N561 PolarHBondContact O-N 3.37Å
562V47.6Very low54.2Low67 Ų6764.3 Ų64.341%0.40634%0.343SS..Hα-helixtrans-85.2-43.7-177179.70000110.3E559 C564 K565 D566E559-V562 HydrophobicContact CB-CG2 4.25Å; E559-V562 PolarHBondContact O-N 2.9Å; E559-V562 VanDerWaalsContact O-N 3.08Å; V562-C564 PolarHBondContact O-N 3.12Å; V562-C564 VanDerWaalsContact O-N 3.16Å; V562-K565 WeakPolarHBondContact O-CB 3.42Å; V562-K565 PolarHBondContact O-N 3.42Å; V562-D566 PolarHBondContact O-N 2.92Å
563L51.3Low53.2Low12 Ų1266.7 Ų66.76%0.06335%0.354CS..Hα-helixtrans-55-37.9177.4-141.676.7000112.6L374 L494 L554 V557 A567L374-L563 HydrophobicContact CD1-CD2 4.48Å; L494-L563 HydrophobicContact CD1-CD2 3.94Å; L494-L563 HydrophobicContact CD2-CD2 3.47Å; L494-L563 VanDerWaalsContact CD2-CD2 3.47Å; L494-L563 HydrophobicContact CD2-CG 4.09Å; L494-L563 HydrophobicContact CG-CD2 4.29Å; L554-L563 HydrophobicContact CB-CD1 4.41Å; V557-L563 HydrophobicContact CB-CD1 4.21Å; V557-L563 HydrophobicContact CG1-CD1 4.42Å; V557-L563 HydrophobicContact CG1-CD2 4.22Å; V557-L563 HydrophobicContact CG2-CD1 3.67Å; V557-L563 HydrophobicContact CG2-CD2 3.92Å; V557-L563 HydrophobicContact CG2-CG 4.46Å; L563-A567 WeakPolarHBondContact O-CB 3.39Å; L563-A567 PolarHBondContact O-N 2.8Å
564C48.6Very low52.2Low1 Ų163.4 Ų63.41%0.00734%0.34CS..Hα-helixtrans-73.9-28.4180-149.40000112.3L374 Q377 V562 R568L374-C564 HydrophobicContact CD1-CB 4.49Å; Q377-C564 PolarHBondContact OE1-SG 3.47Å; V562-C564 PolarHBondContact O-N 3.12Å; V562-C564 VanDerWaalsContact O-N 3.16Å; C564-R568 WeakPolarHBondContact O-CB 3.33Å; C564-R568 WeakPolarHBondContact O-CD 3.28Å; C564-R568 WeakPolarHBondContact O-CG 3.45Å; C564-R568 PolarHBondContact O-N 3.36Å; C564-R568 PolarHBondContact O-NE 2.81Å; C564-R568 PolarHBondContact SG-NE 2.82Å; C564-R568 PolarHBondContact SG-NH2 3.05Å
565K53.1Low51.3Low139 Ų13966.7 Ų66.760%0.60436%0.36SS*.Hα-helixtrans-71.3-40.9174.9-72.7179.4-178.6176.70111.5V562 R568 S569V562-K565 WeakPolarHBondContact O-CB 3.42Å; V562-K565 PolarHBondContact O-N 3.42Å; K565-R568 PolarHBondContact O-N 3.4Å; K565-S569 WeakPolarHBondContact O-CB 3.37Å; K565-S569 PolarHBondContact O-N 3.3Å; K565-S569 PolarHBondContact O-OG 3.46Å
566D55.5Low51.2Low73 Ų7368 Ų6839%0.3936%0.36SS..Hα-helixtrans-70.2-48.6-179.5-65.6-16.6000110.6L554 V562 R568 S569 H570L554-D566 HydrophobicContact CD2-CB 4.19Å; V562-D566 PolarHBondContact O-N 2.92Å; D566-R568 VanDerWaalsContact C-N 3.29Å; D566-R568 PolarHBondContact O-N 2.7Å; D566-S569 PolarHBondContact O-N 2.84Å; D566-S569 VanDerWaalsContact O-N 3.14Å; D566-S569 PolarHBondContact O-OG 3.11Å; D566-H570 PolarHBondContact O-CD2 2.88Å; D566-H570 PolarHBondContact O-N 3.43Å
567A54.5Low50.6Low1 Ų165.5 Ų65.51%0.00835%0.353CS..Hα-helixtrans-57.1-4117300000112.6L374 L492 L554 L563 H570 I571L374-A567 HydrophobicContact CD1-CB 4.24Å; L492-A567 HydrophobicContact CD1-CB 4.29Å; L554-A567 HydrophobicContact CD1-CB 3.77Å; L563-A567 WeakPolarHBondContact O-CB 3.39Å; L563-A567 PolarHBondContact O-N 2.8Å; A567-H570 PolarHBondContact O-N 3.12Å; A567-I571 WeakPolarHBondContact O-CG1 3.11Å; A567-I571 PolarHBondContact O-N 3.2Å; A567-I571 VanDerWaalsContact O-N 3.1Å
568R57.4Low50Low84 Ų8472.6 Ų72.632%0.31739%0.39SS..Hα-helixtrans-64.7-46.5174.9-76.5165.4-163.7172.54.7111.7K381 C564 K565 D566 H570 I571 D572K381-R568 HydrophobicContact CD-CG 4.1Å; C564-R568 WeakPolarHBondContact O-CB 3.33Å; C564-R568 WeakPolarHBondContact O-CD 3.28Å; C564-R568 WeakPolarHBondContact O-CG 3.45Å; C564-R568 PolarHBondContact O-N 3.36Å; C564-R568 PolarHBondContact O-NE 2.81Å; C564-R568 PolarHBondContact SG-NE 2.82Å; C564-R568 PolarHBondContact SG-NH2 3.05Å; K565-R568 PolarHBondContact O-N 3.4Å; D566-R568 VanDerWaalsContact C-N 3.29Å; D566-R568 PolarHBondContact O-N 2.7Å; R568-H570 VanDerWaalsContact C-N 3.27Å; R568-H570 PolarHBondContact O-N 2.97Å; R568-I571 PolarHBondContact O-N 3.47Å; R568-D572 WeakPolarHBondContact O-CB 3.47Å; R568-D572 PolarHBondContact O-N 3.1Å
569S57.1Low49.5Very low45 Ų4571 Ų7132%0.31539%0.389SS..Hα-helixtrans-61.7-37.8179.871.80000111.5K565 D566 D572 I573K565-S569 WeakPolarHBondContact O-CB 3.37Å; K565-S569 PolarHBondContact O-N 3.3Å; K565-S569 PolarHBondContact O-OG 3.46Å; D566-S569 PolarHBondContact O-N 2.84Å; D566-S569 VanDerWaalsContact O-N 3.14Å; D566-S569 PolarHBondContact O-OG 3.11Å; S569-D572 PolarHBondContact O-N 3.02Å; S569-I573 WeakPolarHBondContact O-CB 3.36Å; S569-I573 VanDerWaalsContact O-CD1 3.29Å; S569-I573 WeakPolarHBondContact O-CD1 3.45Å; S569-I573 WeakPolarHBondContact O-CG1 3.31Å; S569-I573 PolarHBondContact O-N 3.4Å
570H58.5Low49Very low44 Ų4474.6 Ų74.620%0.20441%0.406CS..Hα-helixtrans-64.4-48.2174.9-84.8-73.9000112.6D566 A567 R568 C574D566-H570 PolarHBondContact O-CD2 2.88Å; D566-H570 PolarHBondContact O-N 3.43Å; A567-H570 PolarHBondContact O-N 3.12Å; R568-H570 VanDerWaalsContact C-N 3.27Å; R568-H570 PolarHBondContact O-N 2.97Å; H570-C574 WeakPolarHBondContact O-CB 3.39Å; H570-C574 PolarHBondContact O-N 2.8Å; H570-C574 VanDerWaalsContact O-N 3.14Å; H570-C574 PolarHBondContact O-SG 2.78Å
571I59.1Low48.2Very low2 Ų275 Ų751%0.0141%0.414CS..Hα-helixtrans-65.3-43176.7-63.8167.4000110.4L359 I378 Y382 L492 A567 R568 C574 T575L359-I571 HydrophobicContact CD1-CG2 4.29Å; L359-I571 HydrophobicContact CD2-CG2 3.85Å; I378-I571 HydrophobicContact CD1-CD1 4.31Å; Y382-I571 HydrophobicContact CE1-CG2 4.25Å; Y382-I571 HydrophobicContact CE2-CD1 4.21Å; Y382-I571 HydrophobicContact CE2-CG2 3.92Å; Y382-I571 WeakPolarHBondContact OH-CG2 3.09Å; L492-I571 HydrophobicContact CD1-CD1 4.43Å; A567-I571 WeakPolarHBondContact O-CG1 3.11Å; A567-I571 PolarHBondContact O-N 3.2Å; A567-I571 VanDerWaalsContact O-N 3.1Å; R568-I571 PolarHBondContact O-N 3.47Å; I571-C574 PolarHBondContact O-N 2.81Å; I571-T575 HydrophobicContact CG2-CG2 4.2Å; I571-T575 VanDerWaalsContact O-CB 3.32Å; I571-T575 WeakPolarHBondContact O-CB 3.24Å; I571-T575 WeakPolarHBondContact O-CG2 3.41Å; I571-T575 PolarHBondContact O-N 3.42Å; I571-T575 PolarHBondContact O-OG1 3.09Å
572D57.4Low48Very low61 Ų6177.1 Ų77.133%0.32643%0.426SS..Hα-helixtrans-66.8-39.3-179.3-70.6-31.4000111.4K381 Y382 R568 S569 T575 S576K381-D572 IonicContact NZ-OD1 3.58Å; K381-D572 PolarHBondContact NZ-OD1 2.82Å; K381-D572 IonicContact NZ-OD2 2.7Å; K381-D572 PolarHBondContact NZ-OD2 2.8Å; Y382-D572 PolarHBondContact OH-OD1 2.79Å; R568-D572 WeakPolarHBondContact O-CB 3.47Å; R568-D572 PolarHBondContact O-N 3.1Å; S569-D572 PolarHBondContact O-N 3.02Å; D572-T575 WeakPolarHBondContact CA-OG1 3.37Å; D572-T575 PolarHBondContact O-N 2.92Å; D572-T575 PolarHBondContact O-OG1 2.99Å; D572-S576 WeakPolarHBondContact O-CB 3.41Å; D572-S576 PolarHBondContact O-N 2.92Å; D572-S576 PolarHBondContact O-OG 2.87Å
573I54.4Low47.3Very low85 Ų8575.9 Ų75.944%0.43642%0.42SS..Hα-helixtrans-66.2-42.5176.2-71.8163.5000111S569 T575S569-I573 WeakPolarHBondContact O-CB 3.36Å; S569-I573 VanDerWaalsContact O-CD1 3.29Å; S569-I573 WeakPolarHBondContact O-CD1 3.45Å; S569-I573 WeakPolarHBondContact O-CG1 3.31Å; S569-I573 PolarHBondContact O-N 3.4Å; I573-T575 VanDerWaalsContact C-N 3.34Å
574C50.2Low46.5Very low49 Ų4980 Ų8033%0.33145%0.446SS..Hα-helixtrans-73.9-26180-65.20000112.9F490 H570 I571F490-C574 HydrophobicContact CE1-CB 3.63Å; F490-C574 HydrophobicContact CZ-CB 3.82Å; H570-C574 WeakPolarHBondContact O-CB 3.39Å; H570-C574 PolarHBondContact O-N 2.8Å; H570-C574 VanDerWaalsContact O-N 3.14Å; H570-C574 PolarHBondContact O-SG 2.78Å; I571-C574 PolarHBondContact O-N 2.81Å
575T51.1Low45.7Very low75 Ų7585.6 Ų85.646%0.4648%0.475SS..Hα-helixtrans-93.7-16.8179.355.30000114.1L359 I571 D572 I573L359-T575 HydrophobicContact CD1-CG2 4.04Å; I571-T575 HydrophobicContact CG2-CG2 4.2Å; I571-T575 VanDerWaalsContact O-CB 3.32Å; I571-T575 WeakPolarHBondContact O-CB 3.24Å; I571-T575 WeakPolarHBondContact O-CG2 3.41Å; I571-T575 PolarHBondContact O-N 3.42Å; I571-T575 PolarHBondContact O-OG1 3.09Å; D572-T575 WeakPolarHBondContact CA-OG1 3.37Å; D572-T575 PolarHBondContact O-N 2.92Å; D572-T575 PolarHBondContact O-OG1 2.99Å; I573-T575 VanDerWaalsContact C-N 3.34Å
576S46Very low44.6Very low86 Ų8682.7 Ų82.760%0.60147%0.472SS*.Hα-helixtrans-93-7.1179.758.50000115D572 D578D572-S576 WeakPolarHBondContact O-CB 3.41Å; D572-S576 PolarHBondContact O-N 2.92Å; D572-S576 PolarHBondContact O-OG 2.87Å; S576-D578 VanDerWaalsContact C-N 3.27Å; S576-D578 PolarHBondContact O-N 3.36Å
577S36.1Very low43.6Very low72 Ų7280.6 Ų80.650%0.50346%0.464SS..  trans-77.681.1170.659.40000110.4T579S577-T579 VanDerWaalsContact C-N 3.33Å; S577-T579 PolarHBondContact O-N 3.37Å
578D36.1Very low42.7Very low155 Ų15583.9 Ų83.983%0.82948%0.481SS*.  trans-55.599155.4-85.8-36.5000108.1S576S576-D578 VanDerWaalsContact C-N 3.27Å; S576-D578 PolarHBondContact O-N 3.36Å
579T29.6Very low41.5Very low116 Ų11684.4 Ų84.471%0.71249%0.49SS*.  trans-177.5132.1143.423.30000110.3S577 S581S577-T579 VanDerWaalsContact C-N 3.33Å; S577-T579 PolarHBondContact O-N 3.37Å; T579-S581 VanDerWaalsContact C-N 3.26Å; T579-S581 PolarHBondContact O-N 3.35Å
580Q35.3Very low40.3Very low204 Ų20484.3 Ų84.395%0.95349%0.492SS*.SBendtrans-5584.7164-68.1172.9-9.600110.9
581S28.9Very low39.2Very low83 Ų8385.1 Ų85.158%0.5850%0.498SS*.SBendtrans-175.2124.4156.847.60000109.8T579 S583T579-S581 VanDerWaalsContact C-N 3.26Å; T579-S581 PolarHBondContact O-N 3.35Å; S581-S583 PolarHBondContact O-N 2.73Å; S581-S583 VanDerWaalsContact O-N 3.11Å
582N41.1Very low37.8Very low165 Ų16590.5 Ų90.588%0.88252%0.521SS*.  trans-23.2110165.4-65.2-8.3000112.9
583S33.3Very low36.5Very low42 Ų4294 Ų9429%0.29454%0.54SS..  trans-156.765.916167.60000113.3S581 L585 C586S581-S583 PolarHBondContact O-N 2.73Å; S581-S583 VanDerWaalsContact O-N 3.11Å; S583-L585 PolarHBondContact O-N 3.47Å; S583-L585 VanDerWaalsContact O-N 3.1Å; S583-C586 PolarHBondContact O-N 2.85Å; S583-C586 VanDerWaalsContact OG-CB 3.31Å; S583-C586 WeakPolarHBondContact OG-CB 3.34Å
584T33.4Very low35.7Very low97 Ų9796.8 Ų96.860%0.59556%0.555SS**Hα-helixtrans-43-30.3139.57.50000110.6I550 L588I550-T584 HydrophobicContact CD1-CG2 4.28Å; T584-L588 WeakPolarHBondContact O-CB 3.42Å; T584-L588 WeakPolarHBondContact O-CD1 3.26Å; T584-L588 WeakPolarHBondContact O-CG 3.34Å; T584-L588 PolarHBondContact O-N 3.47Å
585L31.5Very low34.9Very low120 Ų120101.5 Ų101.563%0.62857%0.572SS**Hα-helixtrans-63.4-29.7170.5-84.2156.1000116.3S583 N589S583-L585 PolarHBondContact O-N 3.47Å; S583-L585 VanDerWaalsContact O-N 3.1Å; L585-N589 VanDerWaalsContact O-CG 3.26Å; L585-N589 PolarHBondContact O-N 2.9Å; L585-N589 PolarHBondContact O-ND2 3.29Å; L585-N589 VanDerWaalsContact O-ND2 3.16Å
586C31.1Very low33.7Very low78 Ų78104.7 Ų104.753%0.52758%0.58SS.*Hα-helixtrans-79-40.2176.7-96.80000111.4S583 L588 N589 A590S583-C586 PolarHBondContact O-N 2.85Å; S583-C586 VanDerWaalsContact OG-CB 3.31Å; S583-C586 WeakPolarHBondContact OG-CB 3.34Å; C586-L588 VanDerWaalsContact C-N 3.31Å; C586-N589 PolarHBondContact O-N 2.84Å; C586-A590 PolarHBondContact O-N 3.31Å
587A34.8Very low32.7Very low28 Ų28104.2 Ų104.223%0.23158%0.581CS.*Hα-helixtrans-61.6-41.2171.200000111.1N589 A590 L591A587-N589 PolarHBondContact O-N 2.8Å; A587-A590 PolarHBondContact O-N 2.94Å; A587-L591 WeakPolarHBondContact O-CB 3.23Å; A587-L591 PolarHBondContact O-N 3.23Å
588L35.1Very low32Very low71 Ų71107.1 Ų107.137%0.37260%0.598SS.*Hα-helixtrans-58.9-42.2171.2-90.8158.7000112.7T584 C586 L591 F592T584-L588 WeakPolarHBondContact O-CB 3.42Å; T584-L588 WeakPolarHBondContact O-CD1 3.26Å; T584-L588 WeakPolarHBondContact O-CG 3.34Å; T584-L588 PolarHBondContact O-N 3.47Å; C586-L588 VanDerWaalsContact C-N 3.31Å; L588-L591 PolarHBondContact O-N 2.96Å; L588-F592 WeakPolarHBondContact O-CB 3.46Å; L588-F592 PolarHBondContact O-N 3.23Å
589N30.7Very low31.6Very low95 Ų95108.8 Ų108.851%0.50860%0.599SS.*Hα-helixtrans-70.1-33178.4-77.1-31.3000113.1L585 C586 A587 N593L585-N589 VanDerWaalsContact O-CG 3.26Å; L585-N589 PolarHBondContact O-N 2.9Å; L585-N589 PolarHBondContact O-ND2 3.29Å; L585-N589 VanDerWaalsContact O-ND2 3.16Å; C586-N589 PolarHBondContact O-N 2.84Å; A587-N589 PolarHBondContact O-N 2.8Å; N589-N593 VanDerWaalsContact O-CG 3.31Å; N589-N593 PolarHBondContact O-N 2.65Å; N589-N593 PolarHBondContact O-ND2 3.42Å
590A32.9Very low31.2Very low43 Ų43111.1 Ų111.136%0.35560%0.601SS.*Hα-helixtrans-69.5-39.3172.700000111.8C586 A587 N593 L594C586-A590 PolarHBondContact O-N 3.31Å; A587-A590 PolarHBondContact O-N 2.94Å; A590-N593 PolarHBondContact O-N 3.27Å; A590-L594 PolarHBondContact O-N 3.26Å
591L35.4Very low30.7Very low61 Ų61107 Ų10732%0.31959%0.592SS.*Hα-helixtrans-67.8-42.1174.4-85.4163.4000113.1A587 L588 N593 L594 Q595A587-L591 WeakPolarHBondContact O-CB 3.23Å; A587-L591 PolarHBondContact O-N 3.23Å; L588-L591 PolarHBondContact O-N 2.96Å; L591-N593 PolarHBondContact O-N 3.13Å; L591-L594 PolarHBondContact O-N 2.85Å; L591-L594 VanDerWaalsContact O-N 3.15Å; L591-Q595 PolarHBondContact O-N 2.83Å
592F30.1Very low30.4Very low115 Ų115107.8 Ų107.850%0.50460%0.598SS.*Hα-helixtrans-60.8-35.1175.5-122.6-92.4000111.7L588 F596L588-F592 WeakPolarHBondContact O-CB 3.46Å; L588-F592 PolarHBondContact O-N 3.23Å; F592-F596 AromaticContact CD1-CD2 3.56Å; F592-F596 HydrophobicContact CD1-CD2 3.56Å; F592-F596 AromaticContact CD1-CE2 3.58Å; F592-F596 HydrophobicContact CD1-CE2 3.58Å; F592-F596 AromaticContact CE1-CD2 3.74Å; F592-F596 HydrophobicContact CE1-CD2 3.74Å; F592-F596 AromaticContact CE1-CE2 3.31Å; F592-F596 HydrophobicContact CE1-CE2 3.31Å; F592-F596 HydrophobicContact CE1-CZ 4.17Å; F592-F596 HydrophobicContact CG-CD2 4.34Å; F592-F596 HydrophobicContact CG-CE2 4.31Å; F592-F596 AromaticContact CZ-CE2 3.84Å; F592-F596 HydrophobicContact CZ-CE2 3.84Å; F592-F596 WeakPolarHBondContact O-CD2 3.22Å; F592-F596 PolarHBondContact O-N 3.14Å
593N30.6Very low29.8Very low135 Ų135107.2 Ų107.272%0.72259%0.594SS**Hα-helixtrans-76-23.2178.3-73.5-31.4000113.5N589 A590 L591N589-N593 VanDerWaalsContact O-CG 3.31Å; N589-N593 PolarHBondContact O-N 2.65Å; N589-N593 PolarHBondContact O-ND2 3.42Å; A590-N593 PolarHBondContact O-N 3.27Å; L591-N593 PolarHBondContact O-N 3.13Å
594L35.8Very low29.4Very low142 Ų142111 Ų11174%0.74362%0.618SS**Hα-helixtrans-83.6-30.2174.4-81.3160.4000112.8A590 L591A590-L594 PolarHBondContact O-N 3.26Å; L591-L594 PolarHBondContact O-N 2.85Å; L591-L594 VanDerWaalsContact O-N 3.15Å
595Q33.7Very low28.9Very low149 Ų149111.8 Ų111.870%0.69663%0.626SS**Hα-helixtrans-84.4-15.7-179.1-91.6177.7-12.300115.3L591L591-Q595 PolarHBondContact O-N 2.83Å
596F26.6Very low28.8Very low141 Ų141112.6 Ų112.662%0.61864%0.635SS**  trans-119.740.2-175.4-69.6-77.5000114.9F592F592-F596 AromaticContact CD1-CD2 3.56Å; F592-F596 HydrophobicContact CD1-CD2 3.56Å; F592-F596 AromaticContact CD1-CE2 3.58Å; F592-F596 HydrophobicContact CD1-CE2 3.58Å; F592-F596 AromaticContact CE1-CD2 3.74Å; F592-F596 HydrophobicContact CE1-CD2 3.74Å; F592-F596 AromaticContact CE1-CE2 3.31Å; F592-F596 HydrophobicContact CE1-CE2 3.31Å; F592-F596 HydrophobicContact CE1-CZ 4.17Å; F592-F596 HydrophobicContact CG-CD2 4.34Å; F592-F596 HydrophobicContact CG-CE2 4.31Å; F592-F596 AromaticContact CZ-CE2 3.84Å; F592-F596 HydrophobicContact CZ-CE2 3.84Å; F592-F596 WeakPolarHBondContact O-CD2 3.22Å; F592-F596 PolarHBondContact O-N 3.14Å
597A24.1Very low28.7Very low77 Ų77114 Ų11464%0.63665%0.646SS**SBendtrans-72.8124.2151.500000107.7F599A597-F599 PolarHBondContact O-N 3.23Å
598P22.8Very low28.8Very low132 Ų132121.6 Ų121.686%0.85768%0.677SS**  trans-67.6102.5-176.227.1-31.6000108.9
599F26.6Very low28.5Very low191 Ų191122.6 Ų122.684%0.83870%0.695SS**  trans-88.3112.7169.5-148.7-95.3000107.8A597A597-F599 PolarHBondContact O-N 3.23Å
600E22.4Very low29Very low164 Ų164124.2 Ų124.277%0.76671%0.709SS**  trans-54.2136.6173.3-73.2178.8144.200110.2S602E600-S602 VanDerWaalsContact C-N 3.33Å; E600-S602 PolarHBondContact O-N 3.14Å
601P23.3Very low29.1Very low118 Ų118129.6 Ų129.677%0.76673%0.732SS**  trans-75.989.117531.3-31.1000108.3L603P601-L603 PolarHBondContact O-N 2.62Å
602S22.2Very low29.5Very low100 Ų100131 Ų13170%0.69976%0.761SS**  trans-77.682.4164.465.20000108.8E600 P604E600-S602 VanDerWaalsContact C-N 3.33Å; E600-S602 PolarHBondContact O-N 3.14Å; S602-P604 VanDerWaalsContact O-CD 3.28Å; S602-P604 WeakPolarHBondContact O-CD 3.47Å
603L29.2Very low30.1Very low153 Ų153134.1 Ų134.180%0.80178%0.777SS**  trans-55.5120.1154.3-82143.5000108.2P601 C605P601-L603 PolarHBondContact O-N 2.62Å; L603-C605 PolarHBondContact O-N 2.95Å
604P24.7Very low30.7Very low122 Ų122131.5 Ų131.579%0.79276%0.76SS**  trans-75109.4157.7-5.624.6000106.5S602 V606S602-P604 VanDerWaalsContact O-CD 3.28Å; S602-P604 WeakPolarHBondContact O-CD 3.47Å; P604-V606 PolarHBondContact O-N 3.47Å
605C22.3Very low31.5Very low113 Ų113128.7 Ų128.776%0.76475%0.75SS**  trans-50.2124.6167.6-164.60000109.2L603 S607L603-C605 PolarHBondContact O-N 2.95Å; C605-S607 PolarHBondContact O-N 2.97Å; C605-S607 VanDerWaalsContact O-N 3.16Å
606V30.7Very low32.2Very low136 Ų136125 Ų12582%0.82475%0.746SS**  trans-63.1112.9164178.10000106.8P604P604-V606 PolarHBondContact O-N 3.47Å
607S27.7Very low32.6Very low107 Ų107122.9 Ų122.975%0.74875%0.745SS**  trans-126.8114.816162.50000108.3C605C605-S607 PolarHBondContact O-N 2.97Å; C605-S607 VanDerWaalsContact O-N 3.16Å
608E37.8Very low33.6Very low189 Ų189120.8 Ų120.888%0.88373%0.725SS**  trans-56.6132.5173.7-63.2173.3151.400111.2
609A29.6Very low35Very low92 Ų92118.9 Ų118.976%0.7671%0.707SS**  trans-153.7114.4150.100000109.9
610T40.2Very low36.2Very low129 Ų129114.2 Ų114.279%0.79169%0.69SS**  trans-28.5123.1163.950.40000115.4
611N35.5Very low37.2Very low156 Ų156111.4 Ų111.483%0.83468%0.679SS**  -171.5134.9128.4-85.9-27000108.6E613N611-E613 VanDerWaalsContact C-N 3.35Å; N611-E613 PolarHBondContact O-N 3.21Å
612G42.7Very low39.1Very low90 Ų90113.1 Ų113.193%0.92867%0.67SS**  trans-73.774.8-167.200000114.9
613E43.8Very low40.9Very low181 Ų181111.7 Ų111.785%0.84666%0.66SS**  trans-121.6122.8159.9-72.4-176.5169.700108.7N611N611-E613 VanDerWaalsContact C-N 3.35Å; N611-E613 PolarHBondContact O-N 3.21Å
614E43Very low42Very low79 Ų79107.5 Ų107.537%0.36963%0.633SS.*  trans-60.6133.6175.4-76.9-174161.800109.8A616 L619 R622E614-A616 PolarHBondContact O-N 2.85Å; E614-L619 HydrophobicContact CB-CD1 4.24Å; E614-L619 HydrophobicContact CB-CD2 4.42Å; E614-L619 HydrophobicContact CB-CG 3.95Å; E614-L619 VanDerWaalsContact OE2-CD2 3.32Å; E614-L619 WeakPolarHBondContact OE2-CD2 3.47Å; E614-R622 IonicContact OE1-CZ 2.79Å; E614-R622 IonicContact OE1-NH1 3.85Å; E614-R622 PolarHBondContact OE1-NH1 3.13Å; E614-R622 IonicContact OE1-NH2 2.69Å; E614-R622 PolarHBondContact OE1-NH2 3.1Å; E614-R622 IonicContact OE2-CZ 3.51Å; E614-R622 IonicContact OE2-NH1 2.66Å; E614-R622 PolarHBondContact OE2-NH1 3.03Å; E614-R622 IonicContact OE2-NH2 3.86Å
615P51.7Low43.8Very low83 Ų83104.2 Ų104.254%0.53962%0.617SS.*  trans-56.8135.8-179.820.5-29.4000109.3T617 S618 L619P615-T617 PolarHBondContact O-N 3.2Å; P615-S618 VanDerWaalsContact CD-OG 3.24Å; P615-S618 WeakPolarHBondContact CD-OG 3.41Å; P615-S618 WeakPolarHBondContact CG-OG 3.37Å; P615-S618 WeakPolarHBondContact O-CA 3.14Å; P615-S618 WeakPolarHBondContact O-CB 3.21Å; P615-S618 PolarHBondContact O-N 3.07Å; P615-S618 PolarHBondContact O-OG 3.13Å; P615-L619 PolarHBondContact O-N 3.39Å
616A49.9Very low46.1Very low73 Ų73100.9 Ų100.960%0.60360%0.597SS**Hα-helixtrans-51.8-29.6-174.700000113.3E614 L620E614-A616 PolarHBondContact O-N 2.85Å; A616-L620 WeakPolarHBondContact O-CB 3.38Å; A616-L620 WeakPolarHBondContact O-CD1 3.28Å; A616-L620 WeakPolarHBondContact O-CG 3.23Å; A616-L620 PolarHBondContact O-N 3.12Å; A616-L620 VanDerWaalsContact O-N 3.08Å
617T33.8Very low47.8Very low96 Ų9699 Ų9959%0.58958%0.575SS**Hα-helixtrans-62.1-39.7171.241.50000113.6P615 M621P615-T617 PolarHBondContact O-N 3.2Å; T617-M621 WeakPolarHBondContact O-CB 3.31Å; T617-M621 VanDerWaalsContact O-CG 3.26Å; T617-M621 WeakPolarHBondContact O-CG 3.5Å; T617-M621 PolarHBondContact O-N 3.29Å
618S44.9Very low49.3Very low32 Ų3296.2 Ų96.222%0.22455%0.548CS..Hα-helixtrans-73.2-35.5178.266.90000113.7P615 M621 R622P615-S618 VanDerWaalsContact CD-OG 3.24Å; P615-S618 WeakPolarHBondContact CD-OG 3.41Å; P615-S618 WeakPolarHBondContact CG-OG 3.37Å; P615-S618 WeakPolarHBondContact O-CA 3.14Å; P615-S618 WeakPolarHBondContact O-CB 3.21Å; P615-S618 PolarHBondContact O-N 3.07Å; P615-S618 PolarHBondContact O-OG 3.13Å; S618-M621 PolarHBondContact O-N 2.82Å; S618-R622 PolarHBondContact O-N 3.35Å
619L52.4Low50.9Low92 Ų9293 Ų9348%0.48253%0.533SS..Hα-helixtrans-67.7-41.7173.5-78.4168.1000111.4E614 P615 M621 R622 S623E614-L619 HydrophobicContact CB-CD1 4.24Å; E614-L619 HydrophobicContact CB-CD2 4.42Å; E614-L619 HydrophobicContact CB-CG 3.95Å; E614-L619 VanDerWaalsContact OE2-CD2 3.32Å; E614-L619 WeakPolarHBondContact OE2-CD2 3.47Å; P615-L619 PolarHBondContact O-N 3.39Å; L619-M621 VanDerWaalsContact C-N 3.34Å; L619-R622 PolarHBondContact O-N 2.85Å; L619-S623 PolarHBondContact O-N 2.9Å
620L51.6Low53Low93 Ų9394.6 Ų94.649%0.48753%0.525SS..Hα-helixtrans-62.4-40.8172.3-71.7169.5000111.5A616 S623 R624A616-L620 WeakPolarHBondContact O-CB 3.38Å; A616-L620 WeakPolarHBondContact O-CD1 3.28Å; A616-L620 WeakPolarHBondContact O-CG 3.23Å; A616-L620 PolarHBondContact O-N 3.12Å; A616-L620 VanDerWaalsContact O-N 3.08Å; L620-S623 PolarHBondContact O-N 3.5Å; L620-R624 VanDerWaalsContact O-CB 3.3Å; L620-R624 WeakPolarHBondContact O-CB 3.05Å; L620-R624 WeakPolarHBondContact O-CD 3.34Å; L620-R624 WeakPolarHBondContact O-CG 3.08Å; L620-R624 PolarHBondContact O-N 3.02Å
621M44.2Very low54.1Low106 Ų10691.2 Ų91.252%0.52250%0.498SS..Hα-helixtrans-61.4-41.9174.8-79.1-179.5174.600112.4F499 T617 S618 L619 R624 A625F499-M621 HydrophobicContact CE2-CE 4.3Å; F499-M621 HydrophobicContact CE2-CG 4.26Å; T617-M621 WeakPolarHBondContact O-CB 3.31Å; T617-M621 VanDerWaalsContact O-CG 3.26Å; T617-M621 WeakPolarHBondContact O-CG 3.5Å; T617-M621 PolarHBondContact O-N 3.29Å; S618-M621 PolarHBondContact O-N 2.82Å; L619-M621 VanDerWaalsContact C-N 3.34Å; M621-R624 PolarHBondContact O-N 3.24Å; M621-A625 VanDerWaalsContact O-CB 3.29Å; M621-A625 WeakPolarHBondContact O-CB 3.38Å; M621-A625 PolarHBondContact O-N 3.36Å
622R63.8Low55.6Low154 Ų15486 Ų8658%0.58147%0.471SS*.Hα-helixtrans-67.5-43.4176.5-75.2-174.4-176.6160.910.5113.1E614 S618 L619 R624 A625 A626E614-R622 IonicContact OE1-CZ 2.79Å; E614-R622 IonicContact OE1-NH1 3.85Å; E614-R622 PolarHBondContact OE1-NH1 3.13Å; E614-R622 IonicContact OE1-NH2 2.69Å; E614-R622 PolarHBondContact OE1-NH2 3.1Å; E614-R622 IonicContact OE2-CZ 3.51Å; E614-R622 IonicContact OE2-NH1 2.66Å; E614-R622 PolarHBondContact OE2-NH1 3.03Å; E614-R622 IonicContact OE2-NH2 3.86Å; S618-R622 PolarHBondContact O-N 3.35Å; L619-R622 PolarHBondContact O-N 2.85Å; R622-R624 VanDerWaalsContact C-N 3.27Å; R622-R624 PolarHBondContact O-N 3.21Å; R622-A625 PolarHBondContact O-N 3.21Å; R622-A626 WeakPolarHBondContact O-CB 3.29Å; R622-A626 PolarHBondContact O-N 3.43Å
623S60.3Low57.1Low69 Ų6986.8 Ų86.848%0.48345%0.451SS..Hα-helixtrans-65.4-32.9177.4177.20000112.1L619 L620 R627L619-S623 PolarHBondContact O-N 2.9Å; L620-S623 PolarHBondContact O-N 3.5Å; S623-R627 WeakPolarHBondContact O-CG 3.28Å; S623-R627 PolarHBondContact O-N 2.97Å
624R50.8Low58.3Low65 Ų6581.1 Ų81.125%0.24543%0.431CS..Hα-helixtrans-76.1-41.4175.7-72.8171.6-176.4-157.5-6.6112.6F499 D503 L620 M621 R622 A626 R627 W628F499-R624 VanDerWaalsContact CZ-NH1 3.27Å; D503-R624 IonicContact OD1-CZ 3.48Å; D503-R624 IonicContact OD1-NE 3.97Å; D503-R624 PolarHBondContact OD1-NE 3.41Å; D503-R624 IonicContact OD1-NH1 2.69Å; D503-R624 PolarHBondContact OD1-NH1 2.98Å; D503-R624 IonicContact OD1-NH2 3.51Å; D503-R624 IonicContact OD2-CZ 3.9Å; D503-R624 IonicContact OD2-NH1 3.14Å; D503-R624 IonicContact OD2-NH2 3.5Å; L620-R624 VanDerWaalsContact O-CB 3.3Å; L620-R624 WeakPolarHBondContact O-CB 3.05Å; L620-R624 WeakPolarHBondContact O-CD 3.34Å; L620-R624 WeakPolarHBondContact O-CG 3.08Å; L620-R624 PolarHBondContact O-N 3.02Å; M621-R624 PolarHBondContact O-N 3.24Å; R622-R624 VanDerWaalsContact C-N 3.27Å; R622-R624 PolarHBondContact O-N 3.21Å; R624-A626 VanDerWaalsContact C-N 3.31Å; R624-A626 PolarHBondContact O-N 3.28Å; R624-R627 PolarHBondContact O-N 2.94Å; R624-W628 PolarHBondContact O-N 3.09Å
625A63.1Low59.1Low54 Ų5480 Ų8045%0.44643%0.432SS..Hα-helixtrans-61.1-41.7173.400000111.4M621 R622 R627 W628 E629M621-A625 VanDerWaalsContact O-CB 3.29Å; M621-A625 WeakPolarHBondContact O-CB 3.38Å; M621-A625 PolarHBondContact O-N 3.36Å; R622-A625 PolarHBondContact O-N 3.21Å; A625-R627 PolarHBondContact O-N 3.06Å; A625-W628 PolarHBondContact O-N 3.34Å; A625-E629 WeakPolarHBondContact O-CB 3.49Å; A625-E629 PolarHBondContact O-N 3.26Å
626A71.4Confident60Low42 Ų4280.3 Ų80.335%0.34743%0.426SS..Hα-helixtrans-59.8-45.3174.300000112R622 R624 W628 E629 E630R622-A626 WeakPolarHBondContact O-CB 3.29Å; R622-A626 PolarHBondContact O-N 3.43Å; R624-A626 VanDerWaalsContact C-N 3.31Å; R624-A626 PolarHBondContact O-N 3.28Å; A626-W628 PolarHBondContact O-N 2.91Å; A626-E629 PolarHBondContact O-N 3.02Å; A626-E630 WeakPolarHBondContact O-CB 3.21Å; A626-E630 VanDerWaalsContact O-CG 3.26Å; A626-E630 WeakPolarHBondContact O-CG 3.41Å; A626-E630 PolarHBondContact O-N 3.45Å
627R66.8Low61.1Low97 Ų9782.8 Ų82.837%0.36643%0.426SS..Hα-helixtrans-62.9-39.4175.9-77.8-169.5-69.8152.20.5113.2S623 R624 A625 W631S623-R627 WeakPolarHBondContact O-CG 3.28Å; S623-R627 PolarHBondContact O-N 2.97Å; R624-R627 PolarHBondContact O-N 2.94Å; A625-R627 PolarHBondContact O-N 3.06Å; R627-W631 WeakPolarHBondContact O-CB 3.26Å; R627-W631 PolarHBondContact O-N 3.23Å
628W57.3Low62.9Low49 Ų4981.6 Ų81.619%0.18642%0.418CS..Hα-helixtrans-65.1-44.6175.6-172.3-91.2000111.1T502 I506 P520 L524 R624 A625 A626 W631 T632T502-W628 HydrophobicContact CG2-CD2 4.31Å; T502-W628 HydrophobicContact CG2-CE3 3.82Å; T502-W628 HydrophobicContact CG2-CH2 3.7Å; T502-W628 HydrophobicContact CG2-CZ2 4.21Å; T502-W628 HydrophobicContact CG2-CZ3 3.48Å; T502-W628 VanDerWaalsContact CG2-CZ3 3.48Å; I506-W628 HydrophobicContact CD1-CD2 4.41Å; I506-W628 HydrophobicContact CD1-CE3 3.41Å; I506-W628 VanDerWaalsContact CD1-CE3 3.41Å; I506-W628 HydrophobicContact CD1-CZ3 3.96Å; I506-W628 HydrophobicContact CG1-CE3 3.25Å; I506-W628 HydrophobicContact CG1-CZ3 3.41Å; I506-W628 VanDerWaalsContact CG1-CZ3 3.41Å; P520-W628 HydrophobicContact CB-CH2 4.25Å; P520-W628 HydrophobicContact CB-CZ2 3.73Å; P520-W628 HydrophobicContact CG-CZ2 4.35Å; L524-W628 HydrophobicContact CD1-CZ2 4.46Å; R624-W628 PolarHBondContact O-N 3.09Å; A625-W628 PolarHBondContact O-N 3.34Å; A626-W628 PolarHBondContact O-N 2.91Å; W628-W631 HydrophobicContact CE3-CE3 4.1Å; W628-W631 HydrophobicContact CE3-CZ3 4.26Å; W628-W631 HydrophobicContact CH2-CZ3 4.22Å; W628-W631 HydrophobicContact CZ3-CE3 4.07Å; W628-W631 AromaticContact CZ3-CZ3 3.75Å; W628-W631 HydrophobicContact CZ3-CZ3 3.75Å; W628-W631 PolarHBondContact O-N 3.07Å; W628-T632 WeakPolarHBondContact O-CB 3.49Å; W628-T632 PolarHBondContact O-N 3.03Å; W628-T632 PolarHBondContact O-OG1 3.37Å
629E72.2Confident64.1Low120 Ų12084.8 Ų84.856%0.56143%0.425SS*.Hα-helixtrans-67-40.5-179.6-164.9157.3-164.200111.8A625 A626 T632 Q633A625-E629 WeakPolarHBondContact O-CB 3.49Å; A625-E629 PolarHBondContact O-N 3.26Å; A626-E629 PolarHBondContact O-N 3.02Å; E629-T632 PolarHBondContact O-N 3.37Å; E629-Q633 WeakPolarHBondContact O-CB 3.34Å; E629-Q633 VanDerWaalsContact O-CG 3.26Å; E629-Q633 WeakPolarHBondContact O-CG 3.29Å; E629-Q633 PolarHBondContact O-N 3.41Å
630E74.4Confident65.2Low127 Ų12785.4 Ų85.459%0.59343%0.427SS*.Hα-helixtrans-59.1-45.1170.5-77.1171.5-172.300111.7A626 Q633 S634A626-E630 WeakPolarHBondContact O-CB 3.21Å; A626-E630 VanDerWaalsContact O-CG 3.26Å; A626-E630 WeakPolarHBondContact O-CG 3.41Å; A626-E630 PolarHBondContact O-N 3.45Å; E630-Q633 PolarHBondContact O-N 3.24Å; E630-S634 WeakPolarHBondContact O-CB 3.48Å; E630-S634 PolarHBondContact O-N 3.16Å
631W63.1Low66.3Low58 Ų5886.6 Ų86.622%0.2243%0.433CS..Hα-helixtrans-68.1-40.3179.1-173.237.3000112.4V505 V513 P520 R627 W628 S634 S635V505-W631 HydrophobicContact CG1-CH2 4.39Å; V505-W631 HydrophobicContact CG1-CZ3 4.49Å; V513-W631 HydrophobicContact CG1-CH2 3.94Å; V513-W631 HydrophobicContact CG1-CZ2 3.96Å; V513-W631 HydrophobicContact CG2-CH2 4.45Å; P520-W631 HydrophobicContact CG-CE3 4.1Å; P520-W631 HydrophobicContact CG-CH2 4.32Å; P520-W631 HydrophobicContact CG-CZ3 3.99Å; R627-W631 WeakPolarHBondContact O-CB 3.26Å; R627-W631 PolarHBondContact O-N 3.23Å; W628-W631 HydrophobicContact CE3-CE3 4.1Å; W628-W631 HydrophobicContact CE3-CZ3 4.26Å; W628-W631 HydrophobicContact CH2-CZ3 4.22Å; W628-W631 HydrophobicContact CZ3-CE3 4.07Å; W628-W631 AromaticContact CZ3-CZ3 3.75Å; W628-W631 HydrophobicContact CZ3-CZ3 3.75Å; W628-W631 PolarHBondContact O-N 3.07Å; W631-S634 PolarHBondContact O-N 3.25Å; W631-S635 WeakPolarHBondContact O-CB 3.37Å; W631-S635 PolarHBondContact O-N 2.7Å
632T66.6Low67.6Low45 Ų4587.3 Ų87.328%0.27644%0.435SS..Hα-helixtrans-63.5-44.8176.9-41.10000110.4W628 E629 S635 E636W628-T632 WeakPolarHBondContact O-CB 3.49Å; W628-T632 PolarHBondContact O-N 3.03Å; W628-T632 PolarHBondContact O-OG1 3.37Å; E629-T632 PolarHBondContact O-N 3.37Å; T632-S635 PolarHBondContact O-N 3.08Å; T632-E636 WeakPolarHBondContact O-CB 3.36Å; T632-E636 PolarHBondContact O-N 3.47Å
633Q74.2Confident68.1Low107 Ų10785.1 Ų85.150%0.543%0.431SS..Hα-helixtrans-62.5-46.7175.2-74.8174.813.500111.6E629 E630 S635 E636 E637E629-Q633 WeakPolarHBondContact O-CB 3.34Å; E629-Q633 VanDerWaalsContact O-CG 3.26Å; E629-Q633 WeakPolarHBondContact O-CG 3.29Å; E629-Q633 PolarHBondContact O-N 3.41Å; E630-Q633 PolarHBondContact O-N 3.24Å; Q633-S635 VanDerWaalsContact C-N 3.3Å; Q633-S635 PolarHBondContact O-N 2.93Å; Q633-E636 PolarHBondContact O-N 3.25Å; Q633-E637 WeakPolarHBondContact O-CB 3.39Å; Q633-E637 WeakPolarHBondContact O-CG 3.46Å; Q633-E637 PolarHBondContact O-N 3.46Å
634S68.8Low69.1Low62 Ų6286.7 Ų86.743%0.43443%0.434SS..Hα-helixtrans-61.8-38.2178.2-172.10000112.1E630 W631 V638E630-S634 WeakPolarHBondContact O-CB 3.48Å; E630-S634 PolarHBondContact O-N 3.16Å; W631-S634 PolarHBondContact O-N 3.25Å; S634-V638 VanDerWaalsContact O-CG2 3.3Å; S634-V638 WeakPolarHBondContact O-CG2 3.24Å; S634-V638 PolarHBondContact O-N 3.01Å; S634-V638 VanDerWaalsContact O-N 3.1Å
635S60Low70.2Confident56 Ų5689 Ų8939%0.39245%0.447SS..Hα-helixtrans-67.9-40.4177-177.20000111.8W631 T632 Q633 V638 R639W631-S635 WeakPolarHBondContact O-CB 3.37Å; W631-S635 PolarHBondContact O-N 2.7Å; T632-S635 PolarHBondContact O-N 3.08Å; Q633-S635 VanDerWaalsContact C-N 3.3Å; Q633-S635 PolarHBondContact O-N 2.93Å; S635-V638 PolarHBondContact O-N 3.23Å; S635-R639 PolarHBondContact O-N 3.18Å
636E69.7Low70.3Confident90 Ų9091.9 Ų91.942%0.42145%0.453SS..Hα-helixtrans-71.9-33.9178.4-165.3145.5-14900112.3T632 Q633 R639 M640T632-E636 WeakPolarHBondContact O-CB 3.36Å; T632-E636 PolarHBondContact O-N 3.47Å; Q633-E636 PolarHBondContact O-N 3.25Å; E636-R639 PolarHBondContact O-N 3.33Å; E636-R639 IonicContact OE1-CZ 3.74Å; E636-R639 IonicContact OE1-NH2 4Å; E636-R639 PolarHBondContact OE1-NH2 3.11Å; E636-M640 WeakPolarHBondContact O-CB 3.36Å; E636-M640 VanDerWaalsContact O-CG 3.23Å; E636-M640 WeakPolarHBondContact O-CG 3.36Å; E636-M640 PolarHBondContact O-N 3Å
637E74Confident70.6Confident125 Ų12592.3 Ų92.358%0.58446%0.456SS*.Hα-helixtrans-61.8-44.1170.2-77.2-179.8-17800112Q633 M640 L641Q633-E637 WeakPolarHBondContact O-CB 3.39Å; Q633-E637 WeakPolarHBondContact O-CG 3.46Å; Q633-E637 PolarHBondContact O-N 3.46Å; E637-M640 PolarHBondContact O-N 2.51Å; E637-L641 WeakPolarHBondContact O-CB 3.23Å; E637-L641 VanDerWaalsContact O-CG 3.32Å; E637-L641 WeakPolarHBondContact O-CG 3.48Å; E637-L641 PolarHBondContact O-N 3.17Å
638V70.9Confident71.3Confident71 Ų7191.3 Ų91.343%0.4346%0.458SS..Hα-helixtrans-61.9-46.4174.9171.60000110.6S634 S635 M640 L641 E642S634-V638 VanDerWaalsContact O-CG2 3.3Å; S634-V638 WeakPolarHBondContact O-CG2 3.24Å; S634-V638 PolarHBondContact O-N 3.01Å; S634-V638 VanDerWaalsContact O-N 3.1Å; S635-V638 PolarHBondContact O-N 3.23Å; V638-M640 VanDerWaalsContact C-N 3.34Å; V638-M640 PolarHBondContact O-N 3.19Å; V638-L641 WeakPolarHBondContact O-CB 3.42Å; V638-L641 PolarHBondContact O-N 3.34Å; V638-L641 VanDerWaalsContact O-N 3.16Å; V638-E642 HydrophobicContact CG1-CG 4.43Å; V638-E642 WeakPolarHBondContact O-CG 3.38Å; V638-E642 PolarHBondContact O-N 3.09Å
639R71.1Confident72Confident99 Ų9992.2 Ų92.237%0.37447%0.466SS..Hα-helixtrans-58.4-45.3176.7-168.5-171.673.3-167.6-11111.9S635 E636 L641 E642 E643S635-R639 PolarHBondContact O-N 3.18Å; E636-R639 PolarHBondContact O-N 3.33Å; E636-R639 IonicContact OE1-CZ 3.74Å; E636-R639 IonicContact OE1-NH2 4Å; E636-R639 PolarHBondContact OE1-NH2 3.11Å; R639-L641 VanDerWaalsContact C-N 3.33Å; R639-L641 PolarHBondContact O-N 3.38Å; R639-E642 PolarHBondContact O-N 3.22Å; R639-E643 IonicContact NE-OE1 3.05Å; R639-E643 WeakPolarHBondContact O-CB 3.4Å; R639-E643 WeakPolarHBondContact O-CG 3.4Å; R639-E643 PolarHBondContact O-N 2.85Å
640M74.6Confident72.4Confident105 Ų10590.4 Ų90.452%0.51746%0.464SS..Hα-helixtrans-63.1-39.2177.6-75.9-69.2-58.800112.1E636 E637 V638 L644E636-M640 WeakPolarHBondContact O-CB 3.36Å; E636-M640 VanDerWaalsContact O-CG 3.23Å; E636-M640 WeakPolarHBondContact O-CG 3.36Å; E636-M640 PolarHBondContact O-N 3Å; E637-M640 PolarHBondContact O-N 2.51Å; V638-M640 VanDerWaalsContact C-N 3.34Å; V638-M640 PolarHBondContact O-N 3.19Å; M640-L644 WeakPolarHBondContact O-CB 3.12Å; M640-L644 PolarHBondContact O-N 3.05Å
641L75.5Confident72.7Confident118 Ų11888.8 Ų88.862%0.61846%0.459SS*.Hα-helixtrans-66.5-40.9175.4-75.6170.6000111.8E637 V638 R639 L644 H645E637-L641 WeakPolarHBondContact O-CB 3.23Å; E637-L641 VanDerWaalsContact O-CG 3.32Å; E637-L641 WeakPolarHBondContact O-CG 3.48Å; E637-L641 PolarHBondContact O-N 3.17Å; V638-L641 WeakPolarHBondContact O-CB 3.42Å; V638-L641 PolarHBondContact O-N 3.34Å; V638-L641 VanDerWaalsContact O-N 3.16Å; R639-L641 VanDerWaalsContact C-N 3.33Å; R639-L641 PolarHBondContact O-N 3.38Å; L641-L644 PolarHBondContact O-N 3.34Å; L641-H645 VanDerWaalsContact O-CB 3.25Å; L641-H645 WeakPolarHBondContact O-CB 3.14Å; L641-H645 PolarHBondContact O-N 2.83Å
642E71.4Confident73.5Confident121 Ų12192.3 Ų92.357%0.56548%0.478SS*.Hα-helixtrans-63.9-47.5175.1-73.6179165.900111.6V638 R639 L644 H645 M646V638-E642 HydrophobicContact CG1-CG 4.43Å; V638-E642 WeakPolarHBondContact O-CG 3.38Å; V638-E642 PolarHBondContact O-N 3.09Å; R639-E642 PolarHBondContact O-N 3.22Å; E642-L644 VanDerWaalsContact C-N 3.33Å; E642-L644 PolarHBondContact O-N 3.48Å; E642-H645 WeakPolarHBondContact O-CB 3.27Å; E642-H645 PolarHBondContact O-N 2.79Å; E642-M646 WeakPolarHBondContact O-CB 3.22Å; E642-M646 WeakPolarHBondContact O-CG 3.11Å; E642-M646 PolarHBondContact O-N 2.86Å
643E73.1Confident74Confident107 Ų10796.6 Ų96.650%0.550%0.496SS..Hα-helixtrans-60.2-42.7175.4-77.6-178.7-173.900111.8R639 M646 A647R639-E643 IonicContact NE-OE1 3.05Å; R639-E643 WeakPolarHBondContact O-CB 3.4Å; R639-E643 WeakPolarHBondContact O-CG 3.4Å; R639-E643 PolarHBondContact O-N 2.85Å; E643-M646 PolarHBondContact O-N 2.82Å; E643-A647 VanDerWaalsContact O-CB 3.31Å; E643-A647 WeakPolarHBondContact O-CB 3.41Å; E643-A647 PolarHBondContact O-N 3.48Å
644L81.4Confident74.4Confident102 Ų10299.1 Ų99.153%0.53450%0.501SS..Hα-helixtrans-68.7-36.2177.7-170.3127.8000111.9M640 L641 E642 N648M640-L644 WeakPolarHBondContact O-CB 3.12Å; M640-L644 PolarHBondContact O-N 3.05Å; L641-L644 PolarHBondContact O-N 3.34Å; E642-L644 VanDerWaalsContact C-N 3.33Å; E642-L644 PolarHBondContact O-N 3.48Å; L644-N648 WeakPolarHBondContact CD2-ND2 3.5Å; L644-N648 WeakPolarHBondContact O-CB 3.47Å; L644-N648 PolarHBondContact O-N 2.79Å; L644-N648 PolarHBondContact O-ND2 3.41Å
645H74.3Confident75.1Confident114 Ų11499 Ų9953%0.52850%0.5SS..Hα-helixtrans-63.9-46.4172.8-174.266.2000111.1L641 E642 N648 L649L641-H645 VanDerWaalsContact O-CB 3.25Å; L641-H645 WeakPolarHBondContact O-CB 3.14Å; L641-H645 PolarHBondContact O-N 2.83Å; E642-H645 WeakPolarHBondContact O-CB 3.27Å; E642-H645 PolarHBondContact O-N 2.79Å; H645-N648 PolarHBondContact O-N 2.83Å; H645-L649 WeakPolarHBondContact O-CG 3.4Å; H645-L649 PolarHBondContact O-N 2.93Å
646M65.3Low76.2Confident115 Ų115101.9 Ų101.957%0.56750%0.503SS*.Hα-helixtrans-62.2-42.6175.7-74.1-60.3-66.900112.3E642 E643 L649 T650E642-M646 WeakPolarHBondContact O-CB 3.22Å; E642-M646 WeakPolarHBondContact O-CG 3.11Å; E642-M646 PolarHBondContact O-N 2.86Å; E643-M646 PolarHBondContact O-N 2.82Å; M646-L649 PolarHBondContact O-N 3.06Å; M646-L649 HydrophobicContact SD-CD1 4.39Å; M646-T650 WeakPolarHBondContact O-CB 3.02Å; M646-T650 PolarHBondContact O-N 2.75Å; M646-T650 PolarHBondContact O-OG1 3.03Å
647A78.9Confident76.8Confident50 Ų50101.9 Ų101.941%0.41351%0.506SS..Hα-helixtrans-62.6-44.2175.100000111.5E643 T650 D651E643-A647 VanDerWaalsContact O-CB 3.31Å; E643-A647 WeakPolarHBondContact O-CB 3.41Å; E643-A647 PolarHBondContact O-N 3.48Å; A647-T650 WeakPolarHBondContact O-CB 3.37Å; A647-T650 PolarHBondContact O-N 3.48Å; A647-D651 WeakPolarHBondContact O-CB 3.31Å; A647-D651 PolarHBondContact O-N 2.98Å
648N79.6Confident77.2Confident76 Ų76100.7 Ų100.741%0.40650%0.502SS..Hα-helixtrans-62.8-43.1176.4-82.6-43.1000112.6L644 H645 T650 D651 Q652L644-N648 WeakPolarHBondContact CD2-ND2 3.5Å; L644-N648 WeakPolarHBondContact O-CB 3.47Å; L644-N648 PolarHBondContact O-N 2.79Å; L644-N648 PolarHBondContact O-ND2 3.41Å; H645-N648 PolarHBondContact O-N 2.83Å; N648-T650 VanDerWaalsContact C-N 3.31Å; N648-T650 PolarHBondContact O-N 3.17Å; N648-D651 PolarHBondContact O-N 2.98Å; N648-Q652 WeakPolarHBondContact O-CB 3.45Å; N648-Q652 VanDerWaalsContact O-CG 3.28Å; N648-Q652 WeakPolarHBondContact O-CG 3.39Å; N648-Q652 PolarHBondContact O-N 2.98Å
649L74.1Confident77.6Confident69 Ų69105.2 Ų105.236%0.36152%0.516SS..Hα-helixtrans-60.8-43.4174.3-74.7171000110.9H645 M646 D651 Q652 M653H645-L649 WeakPolarHBondContact O-CG 3.4Å; H645-L649 PolarHBondContact O-N 2.93Å; M646-L649 PolarHBondContact O-N 3.06Å; M646-L649 HydrophobicContact SD-CD1 4.39Å; L649-D651 PolarHBondContact O-N 2.99Å; L649-Q652 PolarHBondContact O-N 2.99Å; L649-M653 WeakPolarHBondContact O-CB 3.4Å; L649-M653 WeakPolarHBondContact O-CG 3.36Å; L649-M653 PolarHBondContact O-N 3.4Å
650T79.2Confident77.9Confident82 Ų82102.1 Ų102.150%0.50351%0.509SS..Hα-helixtrans-63.6-41177.7-51.50000111.5M646 A647 N648 M653 R654M646-T650 WeakPolarHBondContact O-CB 3.02Å; M646-T650 PolarHBondContact O-N 2.75Å; M646-T650 PolarHBondContact O-OG1 3.03Å; A647-T650 WeakPolarHBondContact O-CB 3.37Å; A647-T650 PolarHBondContact O-N 3.48Å; N648-T650 VanDerWaalsContact C-N 3.31Å; N648-T650 PolarHBondContact O-N 3.17Å; T650-M653 PolarHBondContact O-N 2.76Å; T650-R654 VanDerWaalsContact O-CB 3.26Å; T650-R654 WeakPolarHBondContact O-CB 2.97Å; T650-R654 PolarHBondContact O-N 3.09Å
651D82Confident78.2Confident92 Ų9299.9 Ų99.949%0.49250%0.501SS..Hα-helixtrans-69.4-36.8176.7-89.5-13.8000112.9A647 N648 L649 S655A647-D651 WeakPolarHBondContact O-CB 3.31Å; A647-D651 PolarHBondContact O-N 2.98Å; N648-D651 PolarHBondContact O-N 2.98Å; L649-D651 PolarHBondContact O-N 2.99Å; D651-S655 WeakPolarHBondContact O-CB 3.1Å; D651-S655 PolarHBondContact O-N 2.9Å; D651-S655 PolarHBondContact O-OG 3.26Å
652Q79Confident78.7Confident133 Ų13398.7 Ų98.762%0.62149%0.493SS*.Hα-helixtrans-63.8-46.2172.4-74.7177.617.600111N648 L649 S655 Y656N648-Q652 WeakPolarHBondContact O-CB 3.45Å; N648-Q652 VanDerWaalsContact O-CG 3.28Å; N648-Q652 WeakPolarHBondContact O-CG 3.39Å; N648-Q652 PolarHBondContact O-N 2.98Å; L649-Q652 PolarHBondContact O-N 2.99Å; Q652-S655 PolarHBondContact O-N 3.27Å; Q652-Y656 WeakPolarHBondContact O-CB 3.48Å; Q652-Y656 PolarHBondContact O-N 3.1Å
653M78.1Confident79.4Confident134 Ų13495.7 Ų95.766%0.6648%0.484SS*.Hα-helixtrans-62.8-44.8175.9-75.3-175.3139.500111.9L649 T650 S655 Y656 L657L649-M653 WeakPolarHBondContact O-CB 3.4Å; L649-M653 WeakPolarHBondContact O-CG 3.36Å; L649-M653 PolarHBondContact O-N 3.4Å; T650-M653 PolarHBondContact O-N 2.76Å; M653-S655 VanDerWaalsContact C-N 3.34Å; M653-S655 PolarHBondContact O-N 3.18Å; M653-Y656 PolarHBondContact O-N 3.16Å; M653-L657 WeakPolarHBondContact O-CB 3.48Å; M653-L657 WeakPolarHBondContact O-CG 3.36Å; M653-L657 PolarHBondContact O-N 2.98Å
654R82.4Confident79.9Confident161 Ų16191.9 Ų91.961%0.60847%0.468SS*.Hα-helixtrans-63.1-40.7176.6-172.3177.3-179.2161.31.7111.6T650 L657 M658T650-R654 VanDerWaalsContact O-CB 3.26Å; T650-R654 WeakPolarHBondContact O-CB 2.97Å; T650-R654 PolarHBondContact O-N 3.09Å; R654-L657 PolarHBondContact O-N 3.3Å; R654-M658 WeakPolarHBondContact O-CB 3.45Å; R654-M658 VanDerWaalsContact O-CG 3.24Å; R654-M658 WeakPolarHBondContact O-CG 3.5Å; R654-M658 PolarHBondContact O-N 3.38Å
655S83.4Confident80Confident59 Ų5989.3 Ų89.341%0.41346%0.455SS..Hα-helixtrans-64.9-41175.3-67.70000112.1D651 Q652 M653 K659D651-S655 WeakPolarHBondContact O-CB 3.1Å; D651-S655 PolarHBondContact O-N 2.9Å; D651-S655 PolarHBondContact O-OG 3.26Å; Q652-S655 PolarHBondContact O-N 3.27Å; M653-S655 VanDerWaalsContact C-N 3.34Å; M653-S655 PolarHBondContact O-N 3.18Å; S655-K659 VanDerWaalsContact O-CB 3.3Å; S655-K659 WeakPolarHBondContact O-CB 3.36Å; S655-K659 VanDerWaalsContact O-CG 3.31Å; S655-K659 WeakPolarHBondContact O-CG 3.24Å; S655-K659 PolarHBondContact O-N 2.91Å
656Y81.9Confident80.5Confident116 Ų11685.1 Ų85.146%0.45544%0.443SS..Hα-helixtrans-64.8-46.5174.6178.7-97.4000111.4Q652 M653 M658 K659 S660 V661 H694Q652-Y656 WeakPolarHBondContact O-CB 3.48Å; Q652-Y656 PolarHBondContact O-N 3.1Å; M653-Y656 PolarHBondContact O-N 3.16Å; Y656-M658 PolarHBondContact O-N 2.53Å; Y656-K659 PolarHBondContact O-N 3.24Å; Y656-S660 WeakPolarHBondContact CD2-OG 3.38Å; Y656-S660 WeakPolarHBondContact CE2-OG 3.37Å; Y656-S660 VanDerWaalsContact O-CB 3.24Å; Y656-S660 WeakPolarHBondContact O-CB 3.32Å; Y656-S660 PolarHBondContact O-N 3.5Å; Y656-S660 PolarHBondContact O-OG 3.39Å; Y656-V661 HydrophobicContact CE1-CG2 4.42Å; Y656-H694 PolarHBondContact OH-NE2 3.48Å
657L82.1Confident81.4Confident91 Ų9186.3 Ų86.348%0.47645%0.445SS..Iπ-helixtrans-58.9-46175.6-76.9164.3000111.5M653 R654 V661 M662M653-L657 WeakPolarHBondContact O-CB 3.48Å; M653-L657 WeakPolarHBondContact O-CG 3.36Å; M653-L657 PolarHBondContact O-N 2.98Å; R654-L657 PolarHBondContact O-N 3.3Å; L657-V661 HydrophobicContact CD2-CB 4.29Å; L657-V661 HydrophobicContact CD2-CG2 4.16Å; L657-V661 WeakPolarHBondContact O-CB 3.45Å; L657-V661 PolarHBondContact O-N 2.99Å; L657-V661 VanDerWaalsContact O-N 3.09Å; L657-M662 WeakPolarHBondContact O-CG 3.38Å; L657-M662 PolarHBondContact O-N 3.46Å
658M82.5Confident81.7Confident100 Ų10083.9 Ų83.949%0.49343%0.425SS..Iπ-helixtrans-68.3-33.4-179.9-74.2-68.9173.400113.6R654 Y656 M662 P663R654-M658 WeakPolarHBondContact O-CB 3.45Å; R654-M658 VanDerWaalsContact O-CG 3.24Å; R654-M658 WeakPolarHBondContact O-CG 3.5Å; R654-M658 PolarHBondContact O-N 3.38Å; Y656-M658 PolarHBondContact O-N 2.53Å; M658-M662 HydrophobicContact CE-CE 4.43Å; M658-M662 HydrophobicContact SD-CB 4.4Å; M658-M662 HydrophobicContact SD-CE 4.41Å; M658-M662 HydrophobicContact SD-CG 3.9Å; M658-P663 WeakPolarHBondContact O-CD 3.36Å
659K80.1Confident82Confident166 Ų16684.3 Ų84.372%0.72243%0.427SS*.Iπ-helixtrans-87.7-41.8-178.7-73.3178.1-179.9175.90113.3S655 Y656 P663S655-K659 VanDerWaalsContact O-CB 3.3Å; S655-K659 WeakPolarHBondContact O-CB 3.36Å; S655-K659 VanDerWaalsContact O-CG 3.31Å; S655-K659 WeakPolarHBondContact O-CG 3.24Å; S655-K659 PolarHBondContact O-N 2.91Å; Y656-K659 PolarHBondContact O-N 3.24Å; K659-P663 WeakPolarHBondContact O-CG 3.37Å
660S77.3Confident82.6Confident33 Ų3385.4 Ų85.423%0.23143%0.432CS..Iπ-helixtrans-98.5-36.7-168.9-52.10000112.5Y656Y656-S660 WeakPolarHBondContact CD2-OG 3.38Å; Y656-S660 WeakPolarHBondContact CE2-OG 3.37Å; Y656-S660 VanDerWaalsContact O-CB 3.24Å; Y656-S660 WeakPolarHBondContact O-CB 3.32Å; Y656-S660 PolarHBondContact O-N 3.5Å; Y656-S660 PolarHBondContact O-OG 3.39Å
661V80.9Confident82.7Confident58 Ų5884.6 Ų84.635%0.35242%0.423SS..Iπ-helixtrans-104.1-48.4-169.7-175.10000112Y656 L657 P663 T664 L665Y656-V661 HydrophobicContact CE1-CG2 4.42Å; L657-V661 HydrophobicContact CD2-CB 4.29Å; L657-V661 HydrophobicContact CD2-CG2 4.16Å; L657-V661 WeakPolarHBondContact O-CB 3.45Å; L657-V661 PolarHBondContact O-N 2.99Å; L657-V661 VanDerWaalsContact O-N 3.09Å; V661-P663 VanDerWaalsContact C-CD 3.49Å; V661-T664 PolarHBondContact O-N 2.77Å; V661-L665 WeakPolarHBondContact O-CB 3.42Å; V661-L665 PolarHBondContact O-N 3.21Å
662M85.3Confident82.8Confident93 Ų9381 Ų8146%0.45840%0.404SS..Hα-helixtrans-59.8-36.5-175.5-74.7-67-85.900114.9L657 M658 L665 G666L657-M662 WeakPolarHBondContact O-CG 3.38Å; L657-M662 PolarHBondContact O-N 3.46Å; M658-M662 HydrophobicContact CE-CE 4.43Å; M658-M662 HydrophobicContact SD-CB 4.4Å; M658-M662 HydrophobicContact SD-CE 4.41Å; M658-M662 HydrophobicContact SD-CG 3.9Å; M662-L665 HydrophobicContact SD-CD2 4.32Å; M662-G666 WeakPolarHBondContact O-CA 3.47Å; M662-G666 PolarHBondContact O-N 2.93Å
663P86.2Confident83Confident58 Ų5879.2 Ų79.238%0.37741%0.406SS..Hα-helixtrans-67.6-37.5178.1-23.136.2000112.8M658 K659 V661 K667M658-P663 WeakPolarHBondContact O-CD 3.36Å; K659-P663 WeakPolarHBondContact O-CG 3.37Å; V661-P663 VanDerWaalsContact C-CD 3.49Å; P663-K667 WeakPolarHBondContact O-CD 3.26Å; P663-K667 VanDerWaalsContact O-CG 3.24Å; P663-K667 WeakPolarHBondContact O-CG 3.5Å; P663-K667 PolarHBondContact O-N 3.41Å
664T83.4Confident83.3Confident27 Ų2781.4 Ų81.417%0.16641%0.406CS..Hα-helixtrans-76.1-43.1178.6-50.20000110.7V661 K667 G668 L688 N691V661-T664 PolarHBondContact O-N 2.77Å; T664-K667 PolarHBondContact O-N 3.47Å; T664-G668 PolarHBondContact O-N 3.36Å; T664-L688 HydrophobicContact CG2-CD2 4.03Å; T664-N691 HydrophobicContact CG2-CB 3.84Å; T664-N691 WeakPolarHBondContact CG2-O 3.19Å
665L84.9Confident83.2Confident48 Ų4877.2 Ų77.225%0.25140%0.399SS..Hα-helixtrans-62.3-44.9174.5-174.766.8000112.2V661 M662 K667 G668 L669 L684 L688V661-L665 WeakPolarHBondContact O-CB 3.42Å; V661-L665 PolarHBondContact O-N 3.21Å; M662-L665 HydrophobicContact SD-CD2 4.32Å; L665-K667 VanDerWaalsContact C-N 3.35Å; L665-K667 PolarHBondContact O-N 2.91Å; L665-G668 PolarHBondContact O-N 3.36Å; L665-L669 HydrophobicContact CD1-CD1 4.47Å; L665-L669 HydrophobicContact CG-CD1 4.04Å; L665-L669 WeakPolarHBondContact O-CB 3.19Å; L665-L669 WeakPolarHBondContact O-CG 3.18Å; L665-L669 PolarHBondContact O-N 3.19Å; L665-L684 HydrophobicContact CD1-CD2 4.21Å; L665-L688 HydrophobicContact CB-CD2 4.4Å; L665-L688 HydrophobicContact CD1-CD1 3.78Å; L665-L688 HydrophobicContact CD1-CD2 4.24Å
666G84.5Confident83.2Confident27 Ų2782.3 Ų82.328%0.27842%0.416SS..Hα-helixtrans-61.4-41.6176.800000112.3M662 I670M662-G666 WeakPolarHBondContact O-CA 3.47Å; M662-G666 PolarHBondContact O-N 2.93Å; G666-I670 WeakPolarHBondContact O-CB 3.49Å; G666-I670 WeakPolarHBondContact O-CD1 3.44Å; G666-I670 WeakPolarHBondContact O-CG1 3.29Å; G666-I670 PolarHBondContact O-N 3.48Å
667K83.6Confident83.2Confident139 Ų13978.5 Ų78.560%0.60441%0.406SS*.Hα-helixtrans-64.6-42.7173.7-74.2172-174.9177.10112.1P663 T664 L665 I670 E671 F687P663-K667 WeakPolarHBondContact O-CD 3.26Å; P663-K667 VanDerWaalsContact O-CG 3.24Å; P663-K667 WeakPolarHBondContact O-CG 3.5Å; P663-K667 PolarHBondContact O-N 3.41Å; T664-K667 PolarHBondContact O-N 3.47Å; L665-K667 VanDerWaalsContact C-N 3.35Å; L665-K667 PolarHBondContact O-N 2.91Å; K667-I670 PolarHBondContact O-N 2.99Å; K667-E671 PolarHBondContact O-N 3.33Å; K667-F687 HydrophobicContact CB-CE1 4.43Å; K667-F687 HydrophobicContact CB-CZ 4.49Å
668G85.5Confident83Confident0 Ų079.3 Ų79.30%043%0.426CS..Hα-helixtrans-63.1-42.1177.300000112.7T664 L665 E671 C672T664-G668 PolarHBondContact O-N 3.36Å; L665-G668 PolarHBondContact O-N 3.36Å; G668-E671 PolarHBondContact O-N 2.64Å; G668-C672 VanDerWaalsContact O-CB 3.29Å; G668-C672 WeakPolarHBondContact O-CB 3.43Å; G668-C672 PolarHBondContact O-N 3.14Å
669L85.2Confident83.1Confident84 Ų8480.8 Ų80.844%0.4443%0.431SS..Hα-helixtrans-64.6-43175.2-74.8167000111.8L665 C672 C673 L684L665-L669 HydrophobicContact CD1-CD1 4.47Å; L665-L669 HydrophobicContact CG-CD1 4.04Å; L665-L669 WeakPolarHBondContact O-CB 3.19Å; L665-L669 WeakPolarHBondContact O-CG 3.18Å; L665-L669 PolarHBondContact O-N 3.19Å; L669-C672 PolarHBondContact O-N 3.46Å; L669-C673 PolarHBondContact O-N 3.03Å; L669-C673 PolarHBondContact O-SG 3.39Å; L669-L684 HydrophobicContact CD2-CD1 4.4Å; L669-L684 HydrophobicContact CD2-CD2 3.74Å; L669-L684 HydrophobicContact CG-CD1 4.28Å; L669-L684 HydrophobicContact CG-CD2 4.26Å
670I87.1Confident83.2Confident93 Ų9376.2 Ų76.248%0.47742%0.419SS..Hα-helixtrans-62.9-43176.3-69.7165000111.1G666 K667 C673 R674G666-I670 WeakPolarHBondContact O-CB 3.49Å; G666-I670 WeakPolarHBondContact O-CD1 3.44Å; G666-I670 WeakPolarHBondContact O-CG1 3.29Å; G666-I670 PolarHBondContact O-N 3.48Å; K667-I670 PolarHBondContact O-N 2.99Å; I670-C673 PolarHBondContact O-N 3.18Å; I670-R674 WeakPolarHBondContact O-CG 3.46Å; I670-R674 PolarHBondContact O-N 3.12Å; I670-R674 VanDerWaalsContact O-N 3.11Å
671E81.5Confident83.4Confident65 Ų6581.5 Ų81.530%0.30444%0.443SS..Hα-helixtrans-67.1-40.9176.6-79.8-57.3135.600112K667 G668 C673 R674 T675 F687K667-E671 PolarHBondContact O-N 3.33Å; G668-E671 PolarHBondContact O-N 2.64Å; E671-C673 VanDerWaalsContact C-N 3.3Å; E671-C673 PolarHBondContact O-N 3.42Å; E671-R674 WeakPolarHBondContact O-CB 3.03Å; E671-R674 PolarHBondContact O-N 3.16Å; E671-R674 IonicContact OE1-CZ 2.81Å; E671-R674 IonicContact OE1-NH1 3.23Å; E671-R674 PolarHBondContact OE1-NH1 2.62Å; E671-T675 PolarHBondContact O-N 3.48Å; E671-T675 PolarHBondContact O-OG1 3.45Å; E671-F687 HydrophobicContact CB-CE2 4.24Å; E671-F687 HydrophobicContact CG-CE2 4.17Å; E671-F687 HydrophobicContact CG-CZ 4.44Å
672C84.3Confident83.5Confident15 Ų1583.5 Ų83.510%0.10145%0.452CS..Hα-helixtrans-60.2-40174.1-169.40000112G668 L669 R674 Q676 P677 F683G668-C672 VanDerWaalsContact O-CB 3.29Å; G668-C672 WeakPolarHBondContact O-CB 3.43Å; G668-C672 PolarHBondContact O-N 3.14Å; L669-C672 PolarHBondContact O-N 3.46Å; C672-R674 VanDerWaalsContact C-N 3.3Å; C672-R674 PolarHBondContact O-N 3.08Å; C672-Q676 PolarHBondContact O-N 3.34Å; C672-P677 WeakPolarHBondContact O-CD 3.31Å; C672-F683 HydrophobicContact CB-CD1 3.89Å; C672-F683 HydrophobicContact CB-CE1 4.07Å
673C82.8Confident83.5Confident97 Ų9781.8 Ų81.866%0.65544%0.442SS*.Hα-helixtrans-67.9-27.6175.1-70.70000113.3L669 I670 E671L669-C673 PolarHBondContact O-N 3.03Å; L669-C673 PolarHBondContact O-SG 3.39Å; I670-C673 PolarHBondContact O-N 3.18Å; E671-C673 VanDerWaalsContact C-N 3.3Å; E671-C673 PolarHBondContact O-N 3.42Å
674R83.7Confident83.4Confident179 Ų17980.2 Ų80.268%0.67543%0.431SS*.Hα-helixtrans-79.6-41177.1-76.1174.5177.1165.3-0.9112.7I670 E671 C672I670-R674 WeakPolarHBondContact O-CG 3.46Å; I670-R674 PolarHBondContact O-N 3.12Å; I670-R674 VanDerWaalsContact O-N 3.11Å; E671-R674 WeakPolarHBondContact O-CB 3.03Å; E671-R674 PolarHBondContact O-N 3.16Å; E671-R674 IonicContact OE1-CZ 2.81Å; E671-R674 IonicContact OE1-NH1 3.23Å; E671-R674 PolarHBondContact OE1-NH1 2.62Å; C672-R674 VanDerWaalsContact C-N 3.3Å; C672-R674 PolarHBondContact O-N 3.08Å
675T82Confident83.3Confident73 Ų7380.8 Ų80.845%0.44844%0.438SS..Hα-helixtrans-84.2-22.7-175.853.20000113E671 F683E671-T675 PolarHBondContact O-N 3.48Å; E671-T675 PolarHBondContact O-OG1 3.45Å; T675-F683 HydrophobicContact CG2-CZ 4.26Å
676Q82Confident83.2Confident166 Ų16683.2 Ų83.278%0.77645%0.448SS*.  trans41.560.4-176-70.4-171.2-14.700112.8C672C672-Q676 PolarHBondContact O-N 3.34Å
677P82.5Confident83.2Confident36 Ų3684.1 Ų84.123%0.23444%0.444CS..  trans-68.4154.4179.631.6-34.5000110.6C672 E679 F683C672-P677 WeakPolarHBondContact O-CD 3.31Å; P677-E679 PolarHBondContact O-N 2.73Å; P677-F683 HydrophobicContact CB-CB 4.15Å; P677-F683 HydrophobicContact CB-CD2 4.35Å; P677-F683 HydrophobicContact CB-CG 4.24Å; P677-F683 HydrophobicContact CG-CB 3.7Å; P677-F683 HydrophobicContact CG-CD1 4.02Å; P677-F683 HydrophobicContact CG-CD2 4.28Å; P677-F683 HydrophobicContact CG-CG 3.74Å
678A77.8Confident83.2Confident109 Ų10980.1 Ų80.190%0.90143%0.429SS*.SBendtrans-61.4-30.217900000112.8
679E84.3Confident83.1Confident131 Ų13188 Ų8861%0.61246%0.464SS*.SBendtrans-123.292.5175.9-74.4172.3170.700109.9P677 L681 D682 F683P677-E679 PolarHBondContact O-N 2.73Å; E679-L681 VanDerWaalsContact C-N 3.34Å; E679-L681 PolarHBondContact O-N 3.45Å; E679-D682 HydrophobicContact CB-CB 4.44Å; E679-F683 PolarHBondContact O-N 3.42Å
680P81.8Confident82.8Confident70 Ų7092.8 Ų92.846%0.45548%0.476SS..Hα-helixtrans-65-32.9-174.9-24.234.6000114.5L684P680-L684 WeakPolarHBondContact O-CB 3.45Å; P680-L684 PolarHBondContact O-N 2.84Å; P680-L684 VanDerWaalsContact O-N 3.1Å
681L82.2Confident82.2Confident143 Ų14392.1 Ų92.175%0.74947%0.474SS*.Hα-helixtrans-72.9-45.6-176.4-69.4172.3000111.6E679 L684 A685E679-L681 VanDerWaalsContact C-N 3.34Å; E679-L681 PolarHBondContact O-N 3.45Å; L681-L684 PolarHBondContact O-N 3.47Å; L681-A685 WeakPolarHBondContact O-CB 3.13Å; L681-A685 PolarHBondContact O-N 3.31Å
682D83.9Confident81.9Confident100 Ų10091.8 Ų91.854%0.53547%0.474SS..Hα-helixtrans-67.9-38.6179.4-70.1-30.9000111.7E679 L684 A685 E686E679-D682 HydrophobicContact CB-CB 4.44Å; D682-L684 PolarHBondContact O-N 3.48Å; D682-A685 PolarHBondContact O-N 2.82Å; D682-E686 WeakPolarHBondContact O-CB 3.39Å; D682-E686 PolarHBondContact O-N 3.4Å
683F83.9Confident81Confident58 Ų5894.7 Ų94.725%0.25449%0.493SS..Hα-helixtrans-61.1-43.9172.7179.4-93.8000112.1C672 T675 P677 E679 F687C672-F683 HydrophobicContact CB-CD1 3.89Å; C672-F683 HydrophobicContact CB-CE1 4.07Å; T675-F683 HydrophobicContact CG2-CZ 4.26Å; P677-F683 HydrophobicContact CB-CB 4.15Å; P677-F683 HydrophobicContact CB-CD2 4.35Å; P677-F683 HydrophobicContact CB-CG 4.24Å; P677-F683 HydrophobicContact CG-CB 3.7Å; P677-F683 HydrophobicContact CG-CD1 4.02Å; P677-F683 HydrophobicContact CG-CD2 4.28Å; P677-F683 HydrophobicContact CG-CG 3.74Å; E679-F683 PolarHBondContact O-N 3.42Å; F683-F687 VanDerWaalsContact O-CB 3.26Å; F683-F687 WeakPolarHBondContact O-CB 3.48Å; F683-F687 PolarHBondContact O-N 3.18Å
684L83.8Confident80.2Confident25 Ų2596 Ų9613%0.13149%0.489CS..Hα-helixtrans-67-40178.4-174.365.4000111.4L665 L669 P680 L681 D682 F687 L688L665-L684 HydrophobicContact CD1-CD2 4.21Å; L669-L684 HydrophobicContact CD2-CD1 4.4Å; L669-L684 HydrophobicContact CD2-CD2 3.74Å; L669-L684 HydrophobicContact CG-CD1 4.28Å; L669-L684 HydrophobicContact CG-CD2 4.26Å; P680-L684 WeakPolarHBondContact O-CB 3.45Å; P680-L684 PolarHBondContact O-N 2.84Å; P680-L684 VanDerWaalsContact O-N 3.1Å; L681-L684 PolarHBondContact O-N 3.47Å; D682-L684 PolarHBondContact O-N 3.48Å; L684-F687 PolarHBondContact O-N 3.17Å; L684-L688 HydrophobicContact CG-CD1 4.09Å; L684-L688 WeakPolarHBondContact O-CB 3.48Å; L684-L688 WeakPolarHBondContact O-CG 3.18Å; L684-L688 PolarHBondContact O-N 3.02Å
685A82.8Confident78.9Confident39 Ų3993 Ų9332%0.32249%0.486SS..Hα-helixtrans-62.5-49.617600000111.4L681 D682 F687 L688 F689L681-A685 WeakPolarHBondContact O-CB 3.13Å; L681-A685 PolarHBondContact O-N 3.31Å; D682-A685 PolarHBondContact O-N 2.82Å; A685-F687 VanDerWaalsContact C-N 3.29Å; A685-F687 PolarHBondContact O-N 3.33Å; A685-L688 PolarHBondContact O-N 3.47Å; A685-L688 VanDerWaalsContact O-N 3.15Å; A685-F689 WeakPolarHBondContact O-CD2 3.49Å; A685-F689 PolarHBondContact O-N 3.14Å
686E83.1Confident77.5Confident98 Ų98101.7 Ų101.746%0.45852%0.521SS..Hα-helixtrans-61.7-38.2177.5-162-174.9-171.700111.7D682 F689 R690D682-E686 WeakPolarHBondContact O-CB 3.39Å; D682-E686 PolarHBondContact O-N 3.4Å; E686-F689 PolarHBondContact O-N 2.94Å; E686-R690 WeakPolarHBondContact O-CG 3.42Å; E686-R690 PolarHBondContact O-N 2.82Å; E686-R690 IonicContact OE1-CZ 3.65Å; E686-R690 VanDerWaalsContact OE1-CZ 3.31Å; E686-R690 IonicContact OE1-NE 3.76Å; E686-R690 IonicContact OE1-NH1 2.98Å; E686-R690 IonicContact OE1-NH2 2.62Å; E686-R690 PolarHBondContact OE1-NH2 3.1Å
687F83.2Confident77.3Confident46 Ų4698.5 Ų98.520%0.20251%0.508CS..Hα-helixtrans-63.4-41.2174.9-174.3-84.2000112.4K667 E671 F683 L684 A685 N691K667-F687 HydrophobicContact CB-CE1 4.43Å; K667-F687 HydrophobicContact CB-CZ 4.49Å; E671-F687 HydrophobicContact CB-CE2 4.24Å; E671-F687 HydrophobicContact CG-CE2 4.17Å; E671-F687 HydrophobicContact CG-CZ 4.44Å; F683-F687 VanDerWaalsContact O-CB 3.26Å; F683-F687 WeakPolarHBondContact O-CB 3.48Å; F683-F687 PolarHBondContact O-N 3.18Å; L684-F687 PolarHBondContact O-N 3.17Å; A685-F687 VanDerWaalsContact C-N 3.29Å; A685-F687 PolarHBondContact O-N 3.33Å; F687-N691 WeakPolarHBondContact O-CB 3.43Å; F687-N691 PolarHBondContact O-N 2.96Å; F687-N691 PolarHBondContact O-ND2 3.47Å
688L83.9Confident77Confident55 Ų55101.7 Ų101.729%0.28852%0.523SS..Hα-helixtrans-70.2-40.3178.4-70.7166.9000111.8T664 L665 L684 A685 R690 N691 N692T664-L688 HydrophobicContact CG2-CD2 4.03Å; L665-L688 HydrophobicContact CB-CD2 4.4Å; L665-L688 HydrophobicContact CD1-CD1 3.78Å; L665-L688 HydrophobicContact CD1-CD2 4.24Å; L684-L688 HydrophobicContact CG-CD1 4.09Å; L684-L688 WeakPolarHBondContact O-CB 3.48Å; L684-L688 WeakPolarHBondContact O-CG 3.18Å; L684-L688 PolarHBondContact O-N 3.02Å; A685-L688 PolarHBondContact O-N 3.47Å; A685-L688 VanDerWaalsContact O-N 3.15Å; L688-R690 VanDerWaalsContact C-N 3.35Å; L688-R690 PolarHBondContact O-N 3.39Å; L688-N691 CarbonylContact O-C 3.5Å; L688-N691 PolarHBondContact O-N 2.95Å; L688-N692 PolarHBondContact O-N 3.07Å; L688-N692 VanDerWaalsContact O-N 3.13Å
689F82.6Confident76.9Confident165 Ų165101.3 Ų101.372%0.72450%0.502SS*.Hα-helixtrans-62-40.6174.4-79.3-63.2000112.3A685 E686 N691A685-F689 WeakPolarHBondContact O-CD2 3.49Å; A685-F689 PolarHBondContact O-N 3.14Å; E686-F689 PolarHBondContact O-N 2.94Å; F689-N691 VanDerWaalsContact C-N 3.31Å; F689-N691 PolarHBondContact O-N 2.97Å
690R79.9Confident76.5Confident185 Ų18599.6 Ų99.670%0.69850%0.495SS*.Hα-helixtrans-71.3-24.1178.3-74.4-179.6179.1165.86.4114.1E686 L688E686-R690 WeakPolarHBondContact O-CG 3.42Å; E686-R690 PolarHBondContact O-N 2.82Å; E686-R690 IonicContact OE1-CZ 3.65Å; E686-R690 VanDerWaalsContact OE1-CZ 3.31Å; E686-R690 IonicContact OE1-NE 3.76Å; E686-R690 IonicContact OE1-NH1 2.98Å; E686-R690 IonicContact OE1-NH2 2.62Å; E686-R690 PolarHBondContact OE1-NH2 3.1Å; L688-R690 VanDerWaalsContact C-N 3.35Å; L688-R690 PolarHBondContact O-N 3.39Å
691N75.3Confident76.2Confident80 Ų80101.4 Ų101.443%0.42850%0.498SS..THydrogen-bonded Turntrans-11628.1-175.8-64.1-73.4000112.3T664 F687 L688 F689 P693T664-N691 HydrophobicContact CG2-CB 3.84Å; T664-N691 WeakPolarHBondContact CG2-O 3.19Å; F687-N691 WeakPolarHBondContact O-CB 3.43Å; F687-N691 PolarHBondContact O-N 2.96Å; F687-N691 PolarHBondContact O-ND2 3.47Å; L688-N691 CarbonylContact O-C 3.5Å; L688-N691 PolarHBondContact O-N 2.95Å; F689-N691 VanDerWaalsContact C-N 3.31Å; F689-N691 PolarHBondContact O-N 2.97Å; N691-P693 WeakPolarHBondContact O-CD 3.47Å
692N75.2Confident75.8Confident58 Ų5898.7 Ų98.731%0.3148%0.481SS..  trans-63.2122.5179.6-174.89.7000109.9L688 H694 D695L688-N692 PolarHBondContact O-N 3.07Å; L688-N692 VanDerWaalsContact O-N 3.13Å; N692-H694 PolarHBondContact O-N 2.92Å; N692-D695 WeakPolarHBondContact CB-OD2 3.41Å; N692-D695 PolarHBondContact ND2-OD2 3.31Å; N692-D695 PolarHBondContact O-N 3.34Å
693P65.4Low75.2Confident76 Ų7698.6 Ų98.649%0.49448%0.477SS..THydrogen-bonded Turntrans-66-5.8-177.724.7-34.3000114.7N691N691-P693 WeakPolarHBondContact O-CD 3.47Å
694H64.1Low74.5Confident125 Ų125101.7 Ų101.758%0.57949%0.494SS*.THydrogen-bonded Turntrans-102.5-1.7-179.5-66.5-63.8000115Y656 N692Y656-H694 PolarHBondContact OH-NE2 3.48Å; N692-H694 PolarHBondContact O-N 2.92Å
695D57.6Low73.8Confident115 Ų115108.1 Ų108.162%0.61553%0.525SS*.  trans-99.621.8-177.2-77.4-47.6000114.3N692N692-D695 WeakPolarHBondContact CB-OD2 3.41Å; N692-D695 PolarHBondContact ND2-OD2 3.31Å; N692-D695 PolarHBondContact O-N 3.34Å
696H51.9Low72.9Confident255 Ų255114.4 Ų114.4100%1.18154%0.543SS*.  trans-131.50174.8-81.8-33.9000114.4

Retrieved 696 of 696 residues in 741.2 ms (Link to these results)

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