A0A3Q0KGJ6_SCHMA Loading...

Copine-3

Calcium-dependent phospholipid-binding protein that plays a role in ERBB2-mediated tumor cell migration in response to growth factor heregulin stimulation.

AlphaFold DB , UniProt , Accession A0A3Q0KGJ6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 577 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
1M28Very low53.3Low234 Ų234102.8 Ų102.8100%1.15352%0.523SS*.  072.80-84.9-167.6-82.600104.8Q3M1-Q3 PolarHBondContact O-N 2.75Å
2D29.3Very low56.1Low145 Ų14599.8 Ų99.878%0.77551%0.506SS*.  trans-66.2123.9160.5-65.5-49.5000104.9D4D2-D4 PolarHBondContact O-N 3.45Å
3Q28.7Very low58.7Low181 Ų18192.1 Ų92.185%0.84647%0.467SS*.  trans-68.194.4166.4-75.3-178.9-2000104.1M1 I5M1-Q3 PolarHBondContact O-N 2.75Å; Q3-I5 VanDerWaalsContact C-N 3.31Å; Q3-I5 WeakPolarHBondContact O-CG1 2.81Å; Q3-I5 PolarHBondContact O-N 3.06Å
4D36.2Very low60.7Low134 Ų13487 Ų8772%0.71744%0.444SS*.  trans-53.4101.9169.4-68-27.9000106.4D2 S6D2-D4 PolarHBondContact O-N 3.45Å; D4-S6 PolarHBondContact O-N 3.5Å
5I35.7Very low62.8Low117 Ų11781.5 Ų81.560%0.642%0.416SS*.  trans-72.479.6173.4-56.2172.5000105Q3 Y7Q3-I5 VanDerWaalsContact C-N 3.31Å; Q3-I5 WeakPolarHBondContact O-CG1 2.81Å; Q3-I5 PolarHBondContact O-N 3.06Å; I5-Y7 HydrophobicContact CB-CE2 4.47Å; I5-Y7 HydrophobicContact CG2-CD1 3.95Å; I5-Y7 HydrophobicContact CG2-CD2 4.27Å; I5-Y7 HydrophobicContact CG2-CE1 3.62Å; I5-Y7 HydrophobicContact CG2-CE2 3.96Å; I5-Y7 HydrophobicContact CG2-CG 4.26Å; I5-Y7 PolarHBondContact O-N 2.97Å; I5-Y7 VanDerWaalsContact O-N 3.12Å
6S43.8Very low64.3Low37 Ų3776.9 Ų76.926%0.25939%0.394SS..  trans-64.1109.5161.1170.40000105.5D4 S8 H71 E73D4-S6 PolarHBondContact O-N 3.5Å; S6-S8 PolarHBondContact O-N 3.11Å; S6-H71 PolarHBondContact OG-ND1 3.4Å; S6-E73 PolarHBondContact OG-OE1 2.91Å; S6-E73 VanDerWaalsContact OG-OE1 3.08Å
7Y58Low66Low167 Ų16772.4 Ų72.466%0.65537%0.371SS*.  trans-73.975.4172.2-66.8-78.8000108.3I5I5-Y7 HydrophobicContact CB-CE2 4.47Å; I5-Y7 HydrophobicContact CG2-CD1 3.95Å; I5-Y7 HydrophobicContact CG2-CD2 4.27Å; I5-Y7 HydrophobicContact CG2-CE1 3.62Å; I5-Y7 HydrophobicContact CG2-CE2 3.96Å; I5-Y7 HydrophobicContact CG2-CG 4.26Å; I5-Y7 PolarHBondContact O-N 2.97Å; I5-Y7 VanDerWaalsContact O-N 3.12Å
8S69.6Low67.6Low49 Ų4972.4 Ų72.434%0.34337%0.366SS..  trans-67.3145167.168.50000109S6 E69 Y70 H71S6-S8 PolarHBondContact O-N 3.11Å; S8-E69 WeakPolarHBondContact CB-OE2 3.47Å; S8-E69 PolarHBondContact OG-OE2 2.8Å; S8-Y70 WeakPolarHBondContact CA-O 3.23Å; S8-H71 VanDerWaalsContact CB-CE1 3.41Å; S8-H71 WeakPolarHBondContact CB-CE1 3.49Å
9T81.1Confident68.9Low23 Ų2374.2 Ų74.214%0.14138%0.376CS..EExtended strand (participates in β ladder)trans-114.9141165.4-155.50000109.6V11 Y70 E135 L283T9-V11 HydrophobicContact CG2-CG1 4.07Å; T9-Y70 HydrophobicContact CG2-CD1 3.86Å; T9-Y70 HydrophobicContact CG2-CG 4.39Å; T9-Y70 PolarHBondContact N-O 2.87Å; T9-Y70 WeakPolarHBondContact O-CB 3.45Å; T9-Y70 PolarHBondContact O-N 3.31Å; T9-E135 WeakPolarHBondContact CB-OE1 3.41Å; T9-E135 HydrophobicContact CG2-CG 3.94Å; T9-E135 VanDerWaalsContact OG1-CD 3.29Å; T9-E135 WeakPolarHBondContact OG1-CG 2.81Å; T9-E135 PolarHBondContact OG1-OE1 2.78Å; T9-L283 HydrophobicContact CG2-CD1 3.65Å
10T87.6Confident70.1Confident43 Ų4370.8 Ų70.826%0.26436%0.359SS..EExtended strand (participates in β ladder)trans-79.2132.8176-48.90000108.5V67 E69 V136T10-V67 HydrophobicContact CG2-CG1 3.37Å; T10-E69 PolarHBondContact OG1-OE1 3.04Å; T10-V136 HydrophobicContact CG2-CB 4.11Å; T10-V136 HydrophobicContact CG2-CG2 3.87Å; T10-V136 WeakPolarHBondContact O-CB 3.3Å; T10-V136 PolarHBondContact O-N 2.84Å
11V88.8Confident70.9Confident1 Ų168 Ų681%0.00635%0.346CS..EExtended strand (participates in β ladder)trans-120.4145.2175.4-62.30000111T9 V67 M68 Y70 L105 E134 L283T9-V11 HydrophobicContact CG2-CG1 4.07Å; V11-V67 WeakPolarHBondContact O-CA 3.27Å; V11-M68 HydrophobicContact CG2-CG 3.87Å; V11-M68 WeakPolarHBondContact CG2-O 3.23Å; V11-M68 PolarHBondContact N-O 2.89Å; V11-M68 PolarHBondContact O-N 3.4Å; V11-Y70 HydrophobicContact CG1-CG 4.49Å; V11-L105 HydrophobicContact CG2-CD1 3.99Å; V11-L105 HydrophobicContact CG2-CD2 4.03Å; V11-L105 HydrophobicContact CG2-CG 4.45Å; V11-E134 CarbonylContact C-O 3.58Å; V11-E134 VanDerWaalsContact CA-O 3.31Å; V11-E134 WeakPolarHBondContact CA-O 3.41Å; V11-L283 HydrophobicContact CG1-CD1 3.91Å
12E86.5Confident73.4Confident66 Ų6661.2 Ų61.231%0.30831%0.314SS..EExtended strand (participates in β ladder)trans-104.4124.4172.2-95174.8-15400109.7K65 V67 A133 E134 V136E12-K65 HydrophobicContact CB-CB 4.36Å; E12-K65 HydrophobicContact CG-CB 3.99Å; E12-K65 HydrophobicContact CG-CG 4.48Å; E12-V67 HydrophobicContact CG-CG2 3.83Å; E12-A133 WeakPolarHBondContact O-CA 3.06Å; E12-E134 PolarHBondContact N-O 2.97Å; E12-E134 PolarHBondContact O-N 2.85Å; E12-V136 HydrophobicContact CB-CG2 3.94Å; E12-V136 HydrophobicContact CG-CG2 3.51Å
13L90Very high75.4Confident0 Ų057.2 Ų57.20%030%0.295CS..EExtended strand (participates in β ladder)trans-95.9123.8172.5-51.4-176.7000110.3K65 I66 M68 L78 F80 L105 I108 I131 S132 A133L13-K65 WeakPolarHBondContact O-CA 3.48Å; L13-I66 HydrophobicContact CB-CB 4.16Å; L13-I66 PolarHBondContact N-O 3.06Å; L13-I66 PolarHBondContact O-N 2.84Å; L13-M68 HydrophobicContact CD1-SD 3.99Å; L13-L78 HydrophobicContact CD1-CD1 4.01Å; L13-F80 HydrophobicContact CD1-CE1 4.44Å; L13-F80 HydrophobicContact CD1-CZ 4.1Å; L13-L105 HydrophobicContact CD1-CD1 4.26Å; L13-L105 HydrophobicContact CD2-CD1 3.87Å; L13-I108 HydrophobicContact CD2-CG2 4.21Å; L13-I131 HydrophobicContact CB-CG2 4.48Å; L13-S132 CarbonylContact C-O 3.57Å; L13-S132 VanDerWaalsContact CA-O 3.3Å; L13-S132 WeakPolarHBondContact CA-O 3.36Å; L13-A133 HydrophobicContact CD2-CB 3.63Å
14S87.2Confident77.1Confident21 Ų2150.2 Ų50.215%0.14727%0.272CS..EExtended strand (participates in β ladder)trans-98.3133.2167-59.30000109.8K65 I131 S132S14-K65 WeakPolarHBondContact OG-CD 3.43Å; S14-K65 WeakPolarHBondContact OG-CE 3.49Å; S14-K65 PolarHBondContact OG-NZ 2.71Å; S14-I131 WeakPolarHBondContact O-CA 3.36Å; S14-S132 WeakPolarHBondContact CB-OG 3.34Å; S14-S132 PolarHBondContact N-O 2.79Å; S14-S132 PolarHBondContact O-N 3.19Å
15I92.1Very high78.3Confident4 Ų450.9 Ų50.92%0.02128%0.28CS..EExtended strand (participates in β ladder)trans-120.2140-174.8-57.5169.3000109.6V33 V35 T51 F62 I66 F80 I129I15-V33 HydrophobicContact CD1-CG1 4.27Å; I15-V33 HydrophobicContact CG2-CB 4.37Å; I15-V33 HydrophobicContact CG2-CG1 4.32Å; I15-V33 HydrophobicContact CG2-CG2 4.02Å; I15-V35 HydrophobicContact CD1-CG2 3.72Å; I15-T51 HydrophobicContact CD1-CG2 4.07Å; I15-F62 HydrophobicContact CB-CD2 4.23Å; I15-F62 HydrophobicContact CG2-CD2 4Å; I15-F62 HydrophobicContact CG2-CE2 4.35Å; I15-F62 WeakPolarHBondContact O-CD2 3.41Å; I15-F62 PolarHBondContact O-N 3.28Å; I15-I66 HydrophobicContact CD1-CG1 3.78Å; I15-F80 HydrophobicContact CD1-CD1 3.92Å; I15-F80 HydrophobicContact CD1-CE1 3.82Å; I15-F80 HydrophobicContact CG1-CD1 4.46Å; I15-F80 HydrophobicContact CG1-CE1 4.21Å; I15-I129 HydrophobicContact CG2-CD1 3.87Å; I15-I129 HydrophobicContact CG2-CG1 4.03Å
16A86.4Confident79.6Confident9 Ų953.5 Ų53.57%0.07430%0.295CS..EExtended strand (participates in β ladder)trans-145.3149.7172.100000109.8P60 D61 I129 I130A16-P60 CarbonylContact C-O 3.6Å; A16-P60 VanDerWaalsContact CA-O 3.28Å; A16-P60 WeakPolarHBondContact CA-O 3.05Å; A16-D61 WeakPolarHBondContact CB-OD1 3.36Å; A16-I129 CarbonylContact O-C 3.56Å; A16-I129 WeakPolarHBondContact O-CA 3.42Å; A16-I129 WeakPolarHBondContact O-CG1 3.37Å; A16-I130 HydrophobicContact CB-CB 4.26Å; A16-I130 PolarHBondContact N-O 3.4Å; A16-I130 PolarHBondContact O-N 3.34Å
17C93Very high81.1Confident0 Ų055.4 Ų55.40%031%0.308CS..EExtended strand (participates in β ladder)trans-120154.1172.4-57.20000110.9L20 N59 P60 S128C17-L20 HydrophobicContact CB-CD1 3.96Å; C17-L20 HydrophobicContact CB-CD2 3.69Å; C17-L20 HydrophobicContact CB-CG 3.84Å; C17-N59 CarbonylContact O-C 3.55Å; C17-N59 WeakPolarHBondContact O-CA 3.32Å; C17-P60 HydrophobicContact CB-CG 3.74Å; C17-P60 PolarHBondContact N-O 2.9Å; C17-S128 CarbonylContact C-O 3.56Å; C17-S128 VanDerWaalsContact CA-O 3.26Å; C17-S128 WeakPolarHBondContact CA-O 3.45Å
18R94.6Very high82.2Confident72 Ų7251.7 Ų51.727%0.27230%0.295SS..EExtended strand (participates in β ladder)trans-135.2138.7176.6-59.8-65.8-179.7-95.22.4110.7L20 N59 P60 D61 G127 S128 I130R18-L20 VanDerWaalsContact C-N 3.32Å; R18-L20 PolarHBondContact O-N 3.46Å; R18-N59 VanDerWaalsContact CA-OD1 3.28Å; R18-N59 WeakPolarHBondContact CA-OD1 3.39Å; R18-N59 PolarHBondContact NH1-O 3.03Å; R18-P60 PolarHBondContact NH1-O 3.44Å; R18-D61 IonicContact CZ-OD1 3.82Å; R18-D61 VanDerWaalsContact CZ-OD1 3.29Å; R18-D61 IonicContact CZ-OD2 3.7Å; R18-D61 IonicContact NH1-OD1 3.65Å; R18-D61 PolarHBondContact NH1-OD1 2.94Å; R18-D61 IonicContact NH1-OD2 2.72Å; R18-D61 IonicContact NH2-OD1 3.89Å; R18-D61 PolarHBondContact NH2-OD1 3.04Å; R18-D61 IonicContact NH2-OD2 2.65Å; R18-D61 PolarHBondContact NH2-OD2 2.8Å; R18-G127 CarbonylContact O-C 3.57Å; R18-G127 VanDerWaalsContact O-CA 3.32Å; R18-G127 WeakPolarHBondContact O-CA 3.23Å; R18-S128 PolarHBondContact N-O 3.25Å; R18-S128 PolarHBondContact O-N 3.13Å; R18-S128 PolarHBondContact O-OG 2.94Å; R18-I130 HydrophobicContact CG-CD1 3.83Å
19N92.2Very high83Confident107 Ų10749.9 Ų49.957%0.57228%0.282SS*.SBendtrans53.842.8177.1-53.8-41.6000113.6L58 N59 G127N19-L58 PolarHBondContact N-O 2.94Å; N19-L58 VanDerWaalsContact N-O 3.12Å; N19-N59 PolarHBondContact N-OD1 2.92Å; N19-G127 WeakPolarHBondContact O-CA 3.37Å; N19-G127 PolarHBondContact O-N 3.04Å
20L92.9Very high83.4Confident5 Ų550 Ų503%0.02628%0.282CS..  trans-54.8149.3175.1-66.1178.5000111.2C17 R18 P31 L58 P60 V82 L98 L118C17-L20 HydrophobicContact CB-CD1 3.96Å; C17-L20 HydrophobicContact CB-CD2 3.69Å; C17-L20 HydrophobicContact CB-CG 3.84Å; R18-L20 VanDerWaalsContact C-N 3.32Å; R18-L20 PolarHBondContact O-N 3.46Å; L20-P31 HydrophobicContact CD1-CB 3.7Å; L20-P31 HydrophobicContact CD1-CG 4.22Å; L20-L58 HydrophobicContact CB-CB 4.47Å; L20-L58 HydrophobicContact CB-CD2 4.25Å; L20-L58 PolarHBondContact N-O 2.97Å; L20-L58 WeakPolarHBondContact O-CD2 3.23Å; L20-P60 HydrophobicContact CD1-CG 3.98Å; L20-V82 HydrophobicContact CD1-CG1 4.24Å; L20-V82 HydrophobicContact CD2-CG1 4.11Å; L20-L98 HydrophobicContact CD1-CD1 4.43Å; L20-L118 HydrophobicContact CD2-CD1 3.46Å; L20-L118 VanDerWaalsContact CD2-CD1 3.46Å
21C87.6Confident83.6Confident12 Ų1247.9 Ų47.98%0.08127%0.269CS..  trans-64.8136.3178.356.70000111.6T23C21-T23 PolarHBondContact O-N 2.8Å
22D80Confident83.9Confident92 Ų9248.1 Ų48.149%0.49227%0.27SS..  trans-89.5102173.6-163.8-6.3000108.9G24D22-G24 PolarHBondContact OD1-N 2.59Å
23T70.6Confident84.4Confident61 Ų6145 Ų4537%0.37426%0.255SS..  trans-89.7-9.2178.654.80000112.6C21 L98 P122C21-T23 PolarHBondContact O-N 2.8Å; T23-L98 HydrophobicContact CG2-CD2 3.91Å; T23-P122 HydrophobicContact CG2-CB 4.44Å; T23-P122 HydrophobicContact CG2-CG 3.59Å
24G65.5Low84.8Confident34 Ų3445 Ų4535%0.35126%0.255SS..  trans-94144.8-171.400000114D22 S27D22-G24 PolarHBondContact OD1-N 2.59Å; G24-S27 WeakPolarHBondContact CA-O 3.37Å
25V60.9Low85.3Confident149 Ų14944 Ų4490%0.90325%0.248SC*.SBendtrans-80-24.9170.4-1790000111.7
26L63.6Low85.5Confident172 Ų17245.2 Ų45.290%0.90125%0.254SS*.SBendtrans-124.4-24.9-167.2-80.9143.4000114.5
27S74.9Confident86Confident77 Ų7747.5 Ų47.554%0.53826%0.263SS..SBendtrans-154.7154.2-179.256.90000110.4G24G24-S27 WeakPolarHBondContact CA-O 3.37Å
28K82Confident86Confident89 Ų8950 Ų5039%0.38727%0.274SS..  trans-67.9159.7172.8-56.6159.6171.6178.70109.3N56 L58K28-N56 WeakPolarHBondContact CA-OD1 3.11Å; K28-N56 WeakPolarHBondContact CB-OD1 3.28Å; K28-N56 WeakPolarHBondContact CD-O 3.45Å; K28-N56 WeakPolarHBondContact CD-OD1 3.38Å; K28-N56 WeakPolarHBondContact CG-OD1 3.45Å; K28-N56 PolarHBondContact N-OD1 2.97Å; K28-L58 HydrophobicContact CB-CD2 3.91Å; K28-L58 HydrophobicContact CB-CG 4.27Å; K28-L58 HydrophobicContact CD-CD1 4.36Å; K28-L58 HydrophobicContact CD-CG 3.98Å; K28-L58 HydrophobicContact CG-CD1 4.33Å; K28-L58 HydrophobicContact CG-CD2 4.15Å; K28-L58 HydrophobicContact CG-CG 4.06Å
29P85Confident85.5Confident11 Ų1148 Ų487%0.07127%0.271CS..  trans-60.6155.4172.825.3-36.5000112.6P31 N56 H57 L58 L98P29-P31 VanDerWaalsContact C-CD 3.47Å; P29-P31 WeakPolarHBondContact O-CD 3.23Å; P29-N56 WeakPolarHBondContact O-CA 3.42Å; P29-N56 PolarHBondContact O-N 3.06Å; P29-H57 PolarHBondContact O-N 2.71Å; P29-L58 HydrophobicContact CG-CD2 3.86Å; P29-L98 HydrophobicContact CB-CD1 3.85Å; P29-L98 HydrophobicContact CB-CD2 4.41Å; P29-L98 HydrophobicContact CG-CD1 3.97Å
30D90.7Very high84.5Confident24 Ų2446.7 Ų46.713%0.12826%0.261CS..  trans-9688.5166.8-743.5000108.4I53 I54 H55 N56 V85 W87D30-I53 HydrophobicContact CB-CG2 3.92Å; D30-I54 CarbonylContact C-O 3.52Å; D30-I54 VanDerWaalsContact CA-O 3.27Å; D30-I54 WeakPolarHBondContact CA-O 3.31Å; D30-H55 WeakPolarHBondContact OD1-CA 3.17Å; D30-H55 IonicContact OD2-CE1 2.69Å; D30-H55 IonicContact OD2-CG 3.33Å; D30-H55 IonicContact OD2-ND1 2.57Å; D30-H55 PolarHBondContact OD2-ND1 3.07Å; D30-N56 PolarHBondContact OD1-N 2.91Å; D30-V85 HydrophobicContact CB-CB 4.32Å; D30-V85 PolarHBondContact O-N 3.3Å; D30-W87 PolarHBondContact OD2-NE1 3.44Å
31P92.3Very high83.5Confident0 Ų049.4 Ų49.40%028%0.278CS..EExtended strand (participates in β ladder)trans-66141.6-172.326.5-41.4000114.9L20 P29 I53 I54 H57 P60 F62 Y83L20-P31 HydrophobicContact CD1-CB 3.7Å; L20-P31 HydrophobicContact CD1-CG 4.22Å; P29-P31 VanDerWaalsContact C-CD 3.47Å; P29-P31 WeakPolarHBondContact O-CD 3.23Å; P31-I53 WeakPolarHBondContact O-CA 3.48Å; P31-I54 WeakPolarHBondContact CD-O 3.41Å; P31-I54 HydrophobicContact CG-CB 4.34Å; P31-I54 PolarHBondContact O-N 2.97Å; P31-I54 VanDerWaalsContact O-N 3.09Å; P31-H57 WeakPolarHBondContact CD-O 3.19Å; P31-H57 HydrophobicContact CG-CB 4.46Å; P31-H57 VanDerWaalsContact CG-O 3.28Å; P31-H57 WeakPolarHBondContact CG-O 3.39Å; P31-P60 HydrophobicContact CB-CG 3.95Å; P31-P60 HydrophobicContact CG-CB 3.85Å; P31-P60 HydrophobicContact CG-CG 3.66Å; P31-F62 HydrophobicContact CB-CZ 4.17Å; P31-Y83 CarbonylContact C-O 3.54Å; P31-Y83 VanDerWaalsContact CA-O 3.28Å; P31-Y83 WeakPolarHBondContact CA-O 3.31Å
32L94.4Very high83Confident5 Ų554.3 Ų54.33%0.02630%0.304CS..EExtended strand (participates in β ladder)trans-135.7140.5169171.168.6000108.3V34 R50 T51 I53 V82 Y83 V85L32-V34 HydrophobicContact CD2-CG2 4.22Å; L32-V34 HydrophobicContact CG-CG2 4.37Å; L32-R50 HydrophobicContact CD1-CB 4.22Å; L32-T51 WeakPolarHBondContact CD1-O 3.08Å; L32-I53 HydrophobicContact CB-CG1 4.36Å; L32-I53 HydrophobicContact CD1-CG1 4.24Å; L32-V82 WeakPolarHBondContact O-CA 3.43Å; L32-Y83 PolarHBondContact N-O 3.16Å; L32-Y83 PolarHBondContact O-N 3.26Å; L32-V85 HydrophobicContact CB-CG2 3.81Å; L32-V85 HydrophobicContact CD2-CG2 4.22Å
33V96.3Very high83.1Confident0 Ų053.5 Ų53.50%030%0.3CS..EExtended strand (participates in β ladder)trans-110.2126.7169.9-175.30000109.7I15 V35 R50 T51 F62 F80 V81 V82 I129I15-V33 HydrophobicContact CD1-CG1 4.27Å; I15-V33 HydrophobicContact CG2-CB 4.37Å; I15-V33 HydrophobicContact CG2-CG1 4.32Å; I15-V33 HydrophobicContact CG2-CG2 4.02Å; V33-V35 HydrophobicContact CG1-CG2 4.34Å; V33-R50 CarbonylContact O-C 3.56Å; V33-R50 VanDerWaalsContact O-CA 3.25Å; V33-R50 WeakPolarHBondContact O-CA 3.37Å; V33-T51 HydrophobicContact CB-CG2 3.94Å; V33-T51 PolarHBondContact N-OG1 3.39Å; V33-T51 PolarHBondContact O-N 3.2Å; V33-F62 HydrophobicContact CG2-CD2 4.27Å; V33-F62 HydrophobicContact CG2-CE2 3.52Å; V33-F62 HydrophobicContact CG2-CZ 3.75Å; V33-F80 HydrophobicContact CG1-CB 4.26Å; V33-F80 HydrophobicContact CG1-CD1 4.3Å; V33-V81 WeakPolarHBondContact CA-O 3.13Å; V33-V82 HydrophobicContact CG2-CG1 4.42Å; V33-V82 HydrophobicContact CG2-CG2 4.14Å; V33-I129 HydrophobicContact CG1-CD1 4.34Å
34V97.9Very high84.1Confident0 Ų056.3 Ų56.30%031%0.308CS..EExtended strand (participates in β ladder)trans-104.5126.1170.1-172.40000108L32 F36 E47 R50 V81 Y83 L92L32-V34 HydrophobicContact CD2-CG2 4.22Å; L32-V34 HydrophobicContact CG-CG2 4.37Å; V34-F36 HydrophobicContact CB-CE2 3.75Å; V34-F36 HydrophobicContact CB-CZ 4.19Å; V34-F36 HydrophobicContact CG1-CD2 4.11Å; V34-F36 HydrophobicContact CG1-CE1 4.23Å; V34-F36 HydrophobicContact CG1-CE2 3.39Å; V34-F36 HydrophobicContact CG1-CZ 3.46Å; V34-F36 VanDerWaalsContact CG1-CZ 3.46Å; V34-E47 HydrophobicContact CG1-CG 3.66Å; V34-R50 HydrophobicContact CG2-CB 4.15Å; V34-V81 PolarHBondContact N-O 2.87Å; V34-V81 PolarHBondContact O-N 3.46Å; V34-Y83 HydrophobicContact CB-CE2 4.25Å; V34-Y83 HydrophobicContact CG2-CD2 3.86Å; V34-Y83 HydrophobicContact CG2-CE2 3.9Å; V34-L92 HydrophobicContact CG1-CD1 4.34Å; V34-L92 HydrophobicContact CG2-CD1 4.25Å; V34-L92 HydrophobicContact CG2-CD2 3.78Å
35V97.9Very high85.5Confident0 Ų058.3 Ų58.30%031%0.305CS..EExtended strand (participates in β ladder)trans-101.4125179.6-174.40000108.5I15 V33 L48 D49 I66 L78 F80I15-V35 HydrophobicContact CD1-CG2 3.72Å; V33-V35 HydrophobicContact CG1-CG2 4.34Å; V35-L48 HydrophobicContact CG1-CD2 4.31Å; V35-L48 WeakPolarHBondContact O-CB 3.44Å; V35-L48 PolarHBondContact O-N 3.39Å; V35-D49 PolarHBondContact N-O 2.94Å; V35-D49 PolarHBondContact O-N 3.38Å; V35-I66 HydrophobicContact CG2-CD1 4.32Å; V35-I66 HydrophobicContact CG2-CG1 3.97Å; V35-L78 HydrophobicContact CG1-CD2 4.49Å; V35-F80 HydrophobicContact CG1-CD1 4.3Å; V35-F80 HydrophobicContact CG1-CE1 3.99Å; V35-F80 HydrophobicContact CG1-CZ 4.26Å; V35-F80 HydrophobicContact CG2-CD1 3.69Å; V35-F80 HydrophobicContact CG2-CE1 3.78Å
36F97.5Very high87.1Confident30 Ų3054.8 Ų54.813%0.13228%0.284CS..EExtended strand (participates in β ladder)trans-111.5137.9174.6-59.9-97.1000109.8V34 W45 V46 E47 L78 N79 V81 L92V34-F36 HydrophobicContact CB-CE2 3.75Å; V34-F36 HydrophobicContact CB-CZ 4.19Å; V34-F36 HydrophobicContact CG1-CD2 4.11Å; V34-F36 HydrophobicContact CG1-CE1 4.23Å; V34-F36 HydrophobicContact CG1-CE2 3.39Å; V34-F36 HydrophobicContact CG1-CZ 3.46Å; V34-F36 VanDerWaalsContact CG1-CZ 3.46Å; F36-W45 HydrophobicContact CB-CB 4.03Å; F36-W45 HydrophobicContact CB-CD2 4.45Å; F36-W45 HydrophobicContact CB-CE3 3.87Å; F36-W45 HydrophobicContact CD1-CB 4.21Å; F36-W45 HydrophobicContact CG-CB 4.34Å; F36-V46 CarbonylContact C-O 3.53Å; F36-V46 VanDerWaalsContact CA-O 3.23Å; F36-V46 WeakPolarHBondContact CA-O 3.42Å; F36-E47 HydrophobicContact CD1-CB 4.01Å; F36-E47 HydrophobicContact CE1-CB 3.83Å; F36-E47 HydrophobicContact CE1-CG 4.45Å; F36-L78 CarbonylContact O-C 3.45Å; F36-L78 WeakPolarHBondContact O-CA 3.41Å; F36-N79 HydrophobicContact CB-CB 4.34Å; F36-N79 PolarHBondContact N-O 2.88Å; F36-N79 PolarHBondContact O-N 3.3Å; F36-V81 HydrophobicContact CD2-CB 4.35Å; F36-V81 HydrophobicContact CD2-CG2 3.61Å; F36-V81 HydrophobicContact CE2-CB 3.93Å; F36-V81 HydrophobicContact CE2-CG2 3.56Å; F36-L92 HydrophobicContact CZ-CD1 4.44Å
37E96.2Very high88.6Confident57 Ų5750 Ų5027%0.26626%0.257SS..EExtended strand (participates in β ladder)trans-101.7139.3166.4-176.1172.7-147.700108.9S39 V46 L78E37-S39 PolarHBondContact O-N 3.08Å; E37-V46 PolarHBondContact N-O 3.1Å; E37-V46 PolarHBondContact O-N 3.2Å; E37-L78 HydrophobicContact CB-CD2 4.05Å; E37-L78 HydrophobicContact CG-CD2 4.24Å
38K93.5Very high89.6Confident52 Ų5249.1 Ų49.123%0.22625%0.246CC..EExtended strand (participates in β ladder)trans-76108.6175.2-161.7164.1-171.9164.10109.3N43 Q44 W45 R77K38-N43 VanDerWaalsContact CE-O 3.28Å; K38-N43 WeakPolarHBondContact CE-O 3.45Å; K38-N43 WeakPolarHBondContact CE-OD1 3.26Å; K38-Q44 CarbonylContact C-O 3.58Å; K38-W45 HydrophobicContact CB-CD2 4.39Å; K38-W45 HydrophobicContact CB-CE3 3.83Å; K38-W45 HydrophobicContact CB-CH2 4.03Å; K38-W45 HydrophobicContact CB-CZ3 3.64Å; K38-W45 HydrophobicContact CD-CH2 4.27Å; K38-W45 HydrophobicContact CD-CZ2 4.12Å; K38-W45 HydrophobicContact CG-CD2 4.49Å; K38-W45 HydrophobicContact CG-CE3 4.42Å; K38-W45 HydrophobicContact CG-CZ3 4.47Å; K38-R77 HydrophobicContact CB-CB 3.95Å; K38-R77 PolarHBondContact N-O 2.97Å
39S84.6Confident90.2Very high31 Ų3147.2 Ų47.222%0.21724%0.24CC..  trans-68.5153.4179.973.20000112.6E37 N43 Q44E37-S39 PolarHBondContact O-N 3.08Å; S39-N43 VanDerWaalsContact O-CA 3.29Å; S39-N43 WeakPolarHBondContact O-CA 3.39Å; S39-N43 PolarHBondContact O-N 2.85Å; S39-N43 VanDerWaalsContact O-N 3.08Å; S39-Q44 PolarHBondContact N-O 3.25Å; S39-Q44 PolarHBondContact OG-O 2.95Å; S39-Q44 VanDerWaalsContact OG-O 3.06Å
40F70.8Confident90.7Very high80 Ų8050.4 Ų50.435%0.35125%0.251SS..THydrogen-bonded Turntrans-118.5140.4175.4-173.7-86.8000109.9Q500 E501F40-Q500 HydrophobicContact CE2-CB 3.89Å; F40-E501 HydrophobicContact CE1-CB 3.98Å; F40-E501 VanDerWaalsContact CE1-CD 3.44Å; F40-E501 HydrophobicContact CE1-CG 4.16Å; F40-E501 WeakPolarHBondContact CE1-OE2 3.26Å; F40-E501 HydrophobicContact CE2-CB 4.47Å; F40-E501 HydrophobicContact CZ-CB 3.45Å; F40-E501 VanDerWaalsContact CZ-CB 3.45Å; F40-E501 HydrophobicContact CZ-CG 4.13Å; F40-E501 WeakPolarHBondContact CZ-OE2 3.32Å
41P70.6Confident90.7Very high62 Ų6249.6 Ų49.640%0.40325%0.247SC..THydrogen-bonded Turncis-85.6-9.50.933.7-35.3000115.3N43P41-N43 PolarHBondContact O-N 3.04Å; P41-N43 VanDerWaalsContact O-N 3.1Å
42D77.4Confident90.6Very high115 Ų11552.5 Ų52.562%0.61526%0.26SS*.THydrogen-bonded Turntrans-73.9-5.2-165.3-60-39.5000114.2Q44D42-Q44 HydrophobicContact CB-CG 3.94Å; D42-Q44 PolarHBondContact O-N 2.78Å; D42-Q44 VanDerWaalsContact O-N 3.14Å; D42-Q44 PolarHBondContact O-NE2 3.15Å; D42-Q44 VanDerWaalsContact O-NE2 3.07Å
43N83.6Confident90.4Very high75 Ų7555.1 Ų55.140%0.40127%0.274SS..  trans5528.5-179.5-91.3-44.6000113K38 S39 P41K38-N43 VanDerWaalsContact CE-O 3.28Å; K38-N43 WeakPolarHBondContact CE-O 3.45Å; K38-N43 WeakPolarHBondContact CE-OD1 3.26Å; S39-N43 VanDerWaalsContact O-CA 3.29Å; S39-N43 WeakPolarHBondContact O-CA 3.39Å; S39-N43 PolarHBondContact O-N 2.85Å; S39-N43 VanDerWaalsContact O-N 3.08Å; P41-N43 PolarHBondContact O-N 3.04Å; P41-N43 VanDerWaalsContact O-N 3.1Å
44Q91.4Very high89.6Confident120 Ų12056.9 Ų56.956%0.56128%0.283SS*.  trans-92.8144.7179.8-62.3-54.4-51.500110.2K38 S39 D42 V46K38-Q44 CarbonylContact C-O 3.58Å; S39-Q44 PolarHBondContact N-O 3.25Å; S39-Q44 PolarHBondContact OG-O 2.95Å; S39-Q44 VanDerWaalsContact OG-O 3.06Å; D42-Q44 HydrophobicContact CB-CG 3.94Å; D42-Q44 PolarHBondContact O-N 2.78Å; D42-Q44 VanDerWaalsContact O-N 3.14Å; D42-Q44 PolarHBondContact O-NE2 3.15Å; D42-Q44 VanDerWaalsContact O-NE2 3.07Å; Q44-V46 PolarHBondContact O-N 3.08Å
45W94.9Very high89.1Confident76 Ų7662.6 Ų62.629%0.28831%0.309SS..EExtended strand (participates in β ladder)trans-74.3117168.4-68112.7000108.8F36 K38 R77 N79 E102F36-W45 HydrophobicContact CB-CB 4.03Å; F36-W45 HydrophobicContact CB-CD2 4.45Å; F36-W45 HydrophobicContact CB-CE3 3.87Å; F36-W45 HydrophobicContact CD1-CB 4.21Å; F36-W45 HydrophobicContact CG-CB 4.34Å; K38-W45 HydrophobicContact CB-CD2 4.39Å; K38-W45 HydrophobicContact CB-CE3 3.83Å; K38-W45 HydrophobicContact CB-CH2 4.03Å; K38-W45 HydrophobicContact CB-CZ3 3.64Å; K38-W45 HydrophobicContact CD-CH2 4.27Å; K38-W45 HydrophobicContact CD-CZ2 4.12Å; K38-W45 HydrophobicContact CG-CD2 4.49Å; K38-W45 HydrophobicContact CG-CE3 4.42Å; K38-W45 HydrophobicContact CG-CZ3 4.47Å; W45-R77 HydrophobicContact CH2-CB 4.23Å; W45-R77 WeakPolarHBondContact CZ3-O 3.06Å; W45-N79 HydrophobicContact CD2-CB 4.04Å; W45-N79 HydrophobicContact CE3-CB 3.72Å; W45-N79 HydrophobicContact CH2-CB 3.62Å; W45-N79 HydrophobicContact CZ2-CB 3.95Å; W45-N79 HydrophobicContact CZ3-CB 3.49Å; W45-N79 VanDerWaalsContact CZ3-CB 3.49Å; W45-E102 HydrophobicContact CH2-CG 4.37Å; W45-E102 HydrophobicContact CZ2-CG 4.18Å
46V94.7Very high88.4Confident74 Ų7466.5 Ų66.545%0.44833%0.33SS..EExtended strand (participates in β ladder)trans-107.7130.3175.8175.60000107.8F36 E37 Q44 L48F36-V46 CarbonylContact C-O 3.53Å; F36-V46 VanDerWaalsContact CA-O 3.23Å; F36-V46 WeakPolarHBondContact CA-O 3.42Å; E37-V46 PolarHBondContact N-O 3.1Å; E37-V46 PolarHBondContact O-N 3.2Å; Q44-V46 PolarHBondContact O-N 3.08Å; V46-L48 PolarHBondContact O-N 3.16Å
47E95.2Very high87.7Confident71 Ų7168.8 Ų68.833%0.33234%0.341SS..EExtended strand (participates in β ladder)trans-62.8121.6176.3-175.9175.8156.300109V34 F36 R50V34-E47 HydrophobicContact CG1-CG 3.66Å; F36-E47 HydrophobicContact CD1-CB 4.01Å; F36-E47 HydrophobicContact CE1-CB 3.83Å; F36-E47 HydrophobicContact CE1-CG 4.45Å; E47-R50 IonicContact OE1-CZ 3.14Å; E47-R50 IonicContact OE1-NE 3.1Å; E47-R50 PolarHBondContact OE1-NE 2.93Å; E47-R50 IonicContact OE1-NH2 3.29Å; E47-R50 PolarHBondContact OE1-NH2 2.94Å; E47-R50 IonicContact OE2-CZ 2.7Å; E47-R50 IonicContact OE2-NH2 3.25Å; E47-R50 PolarHBondContact OE2-NH2 3.22Å
48L95Very high87.3Confident60 Ų6067.7 Ų67.731%0.31434%0.336SS..EExtended strand (participates in β ladder)trans-85.1-58.3176179.267.1000109.3V35 V46 I66 M68V35-L48 HydrophobicContact CG1-CD2 4.31Å; V35-L48 WeakPolarHBondContact O-CB 3.44Å; V35-L48 PolarHBondContact O-N 3.39Å; V46-L48 PolarHBondContact O-N 3.16Å; L48-I66 HydrophobicContact CD2-CG2 3.77Å; L48-I66 HydrophobicContact CG-CG2 4.3Å; L48-M68 HydrophobicContact CD2-CB 4.2Å; L48-M68 HydrophobicContact CD2-CE 4.14Å; L48-M68 HydrophobicContact CD2-SD 3.89Å
49D95.5Very high86.9Confident49 Ų4968 Ų6826%0.26234%0.341SS..EExtended strand (participates in β ladder)trans-165175.5176.9-161.22.3000110.2V35 K64 I66V35-D49 PolarHBondContact N-O 2.94Å; V35-D49 PolarHBondContact O-N 3.38Å; D49-K64 IonicContact OD1-NZ 3.48Å; D49-K64 PolarHBondContact OD1-NZ 3.17Å; D49-K64 WeakPolarHBondContact OD2-CE 3.46Å; D49-K64 IonicContact OD2-NZ 3.61Å; D49-K64 PolarHBondContact OD2-NZ 3.03Å; D49-I66 HydrophobicContact CB-CD1 3.9Å; D49-I66 HydrophobicContact CB-CG2 4.15Å
50R95.3Very high87Confident78 Ų7866.5 Ų66.529%0.29433%0.33SS..EExtended strand (participates in β ladder)trans-135.9150.4177.664.4-177.967.8-172.90.5111.9L32 V33 V34 E47 K64L32-R50 HydrophobicContact CD1-CB 4.22Å; V33-R50 CarbonylContact O-C 3.56Å; V33-R50 VanDerWaalsContact O-CA 3.25Å; V33-R50 WeakPolarHBondContact O-CA 3.37Å; V34-R50 HydrophobicContact CG2-CB 4.15Å; E47-R50 IonicContact OE1-CZ 3.14Å; E47-R50 IonicContact OE1-NE 3.1Å; E47-R50 PolarHBondContact OE1-NE 2.93Å; E47-R50 IonicContact OE1-NH2 3.29Å; E47-R50 PolarHBondContact OE1-NH2 2.94Å; E47-R50 IonicContact OE2-CZ 2.7Å; E47-R50 IonicContact OE2-NH2 3.25Å; E47-R50 PolarHBondContact OE2-NH2 3.22Å; R50-K64 VanDerWaalsContact O-CD 3.28Å; R50-K64 WeakPolarHBondContact O-CD 3.38Å; R50-K64 VanDerWaalsContact O-CE 3.27Å; R50-K64 WeakPolarHBondContact O-CE 3.47Å; R50-K64 PolarHBondContact O-NZ 3.36Å
51T90.3Very high87.4Confident7 Ų767.4 Ų67.44%0.04334%0.339CS..  trans-71.4177.8175.165.10000111.7I15 L32 V33 F62I15-T51 HydrophobicContact CD1-CG2 4.07Å; L32-T51 WeakPolarHBondContact CD1-O 3.08Å; V33-T51 HydrophobicContact CB-CG2 3.94Å; V33-T51 PolarHBondContact N-OG1 3.39Å; V33-T51 PolarHBondContact O-N 3.2Å; T51-F62 HydrophobicContact CG2-CB 3.88Å; T51-F62 HydrophobicContact CG2-CD1 4.09Å; T51-F62 HydrophobicContact CG2-CD2 4.22Å; T51-F62 HydrophobicContact CG2-CG 3.8Å; T51-F62 VanDerWaalsContact OG1-CD1 3.3Å; T51-F62 WeakPolarHBondContact OG1-CD1 3.38Å; T51-F62 WeakPolarHBondContact OG1-CE1 3.46Å
52E88.7Confident88.1Confident61 Ų6164.8 Ų64.829%0.28532%0.321SS..  trans-71.4168.8159.276.4-75.7-175.600112I54 F62 A63 K64E52-I54 HydrophobicContact CG-CG1 4.49Å; E52-F62 WeakPolarHBondContact O-CD1 3.29Å; E52-F62 WeakPolarHBondContact O-CE1 3.37Å; E52-F62 VanDerWaalsContact OE1-CA 3.29Å; E52-F62 WeakPolarHBondContact OE1-CA 3.49Å; E52-A63 PolarHBondContact OE1-N 2.89Å; E52-K64 WeakPolarHBondContact OE2-CB 3.32Å; E52-K64 PolarHBondContact OE2-N 2.92Å
53I91.8Very high87.9Confident60 Ų6063 Ų6331%0.30832%0.322SS..  trans-95131176.4-52.8166.8000108.5D30 P31 L32 V85 W87D30-I53 HydrophobicContact CB-CG2 3.92Å; P31-I53 WeakPolarHBondContact O-CA 3.48Å; L32-I53 HydrophobicContact CB-CG1 4.36Å; L32-I53 HydrophobicContact CD1-CG1 4.24Å; I53-V85 HydrophobicContact CD1-CB 4.37Å; I53-V85 HydrophobicContact CD1-CG1 4.03Å; I53-V85 HydrophobicContact CD1-CG2 3.83Å; I53-V85 HydrophobicContact CG1-CG2 3.87Å; I53-V85 HydrophobicContact CG2-CB 4.17Å; I53-V85 HydrophobicContact CG2-CG2 3.86Å; I53-W87 HydrophobicContact CD1-CH2 4.1Å; I53-W87 HydrophobicContact CD1-CZ2 4.38Å; I53-W87 HydrophobicContact CG2-CZ2 3.97Å
54I79.7Confident88Confident37 Ų3763.1 Ų63.119%0.1932%0.319CS..  trans-110.6127.7174.8-63.6176.2000108.9D30 P31 E52 H57 P60 D61 F62D30-I54 CarbonylContact C-O 3.52Å; D30-I54 VanDerWaalsContact CA-O 3.27Å; D30-I54 WeakPolarHBondContact CA-O 3.31Å; P31-I54 WeakPolarHBondContact CD-O 3.41Å; P31-I54 HydrophobicContact CG-CB 4.34Å; P31-I54 PolarHBondContact O-N 2.97Å; P31-I54 VanDerWaalsContact O-N 3.09Å; E52-I54 HydrophobicContact CG-CG1 4.49Å; I54-H57 HydrophobicContact CG2-CB 3.67Å; I54-P60 HydrophobicContact CB-CB 4.32Å; I54-P60 HydrophobicContact CD1-CB 3.71Å; I54-D61 VanDerWaalsContact CD1-O 3.26Å; I54-D61 WeakPolarHBondContact CD1-O 3.34Å; I54-F62 HydrophobicContact CD1-CD1 3.74Å; I54-F62 HydrophobicContact CD1-CE1 3.99Å; I54-F62 HydrophobicContact CD1-CG 4.35Å; I54-F62 HydrophobicContact CG1-CD1 4.16Å; I54-F62 HydrophobicContact CG1-CE1 4.19Å
55H85.8Confident87.6Confident120 Ų12061 Ų6156%0.55631%0.308SS*.THydrogen-bonded Turntrans-76136.7-175.4-64.9-68.7000113.8D30 H57 W87D30-H55 WeakPolarHBondContact OD1-CA 3.17Å; D30-H55 IonicContact OD2-CE1 2.69Å; D30-H55 IonicContact OD2-CG 3.33Å; D30-H55 IonicContact OD2-ND1 2.57Å; D30-H55 PolarHBondContact OD2-ND1 3.07Å; H55-H57 VanDerWaalsContact C-N 3.34Å; H55-H57 PolarHBondContact O-N 2.94Å; H55-W87 AromaticContact CE1-CE2 3.8Å; H55-W87 AromaticContact CE1-CH2 3.61Å; H55-W87 AromaticContact CE1-CZ2 3.07Å; H55-W87 WeakPolarHBondContact CE1-CZ2 3.48Å; H55-W87 AromaticContact ND1-CZ2 3.57Å
56N83.1Confident87.5Confident82 Ų8257.4 Ų57.444%0.43929%0.294SS..THydrogen-bonded Turntrans50.147.7165.3-169.332.7000113.2K28 P29 D30K28-N56 WeakPolarHBondContact CA-OD1 3.11Å; K28-N56 WeakPolarHBondContact CB-OD1 3.28Å; K28-N56 WeakPolarHBondContact CD-O 3.45Å; K28-N56 WeakPolarHBondContact CD-OD1 3.38Å; K28-N56 WeakPolarHBondContact CG-OD1 3.45Å; K28-N56 PolarHBondContact N-OD1 2.97Å; P29-N56 WeakPolarHBondContact O-CA 3.42Å; P29-N56 PolarHBondContact O-N 3.06Å; D30-N56 PolarHBondContact OD1-N 2.91Å
57H82.9Confident87.2Confident77 Ų7757.7 Ų57.736%0.35630%0.296SS..  trans-134.4122.5-167.2-152-90.1000112.6P29 P31 I54 H55 N59 P60P29-H57 PolarHBondContact O-N 2.71Å; P31-H57 WeakPolarHBondContact CD-O 3.19Å; P31-H57 HydrophobicContact CG-CB 4.46Å; P31-H57 VanDerWaalsContact CG-O 3.28Å; P31-H57 WeakPolarHBondContact CG-O 3.39Å; I54-H57 HydrophobicContact CG2-CB 3.67Å; H55-H57 VanDerWaalsContact C-N 3.34Å; H55-H57 PolarHBondContact O-N 2.94Å; H57-N59 PolarHBondContact CE1-O 3.13Å; H57-N59 PolarHBondContact ND1-N 2.81Å; H57-N59 PolarHBondContact ND1-O 2.8Å; H57-P60 VanDerWaalsContact ND1-CA 3.34Å; H57-P60 WeakPolarHBondContact ND1-CA 3.16Å
58L88.9Confident87Confident34 Ų3454.9 Ų54.918%0.17828%0.283CS..SBendtrans-91.4-9.1177.8-58.5-178.1000113.5N19 L20 K28 P29N19-L58 PolarHBondContact N-O 2.94Å; N19-L58 VanDerWaalsContact N-O 3.12Å; L20-L58 HydrophobicContact CB-CB 4.47Å; L20-L58 HydrophobicContact CB-CD2 4.25Å; L20-L58 PolarHBondContact N-O 2.97Å; L20-L58 WeakPolarHBondContact O-CD2 3.23Å; K28-L58 HydrophobicContact CB-CD2 3.91Å; K28-L58 HydrophobicContact CB-CG 4.27Å; K28-L58 HydrophobicContact CD-CD1 4.36Å; K28-L58 HydrophobicContact CD-CG 3.98Å; K28-L58 HydrophobicContact CG-CD1 4.33Å; K28-L58 HydrophobicContact CG-CD2 4.15Å; K28-L58 HydrophobicContact CG-CG 4.06Å; P29-L58 HydrophobicContact CG-CD2 3.86Å
59N85.5Confident86.9Confident59 Ų5955.5 Ų55.532%0.31628%0.284SS..SBendtrans-128.543.8-175.7-63.4-69.2000113.2C17 R18 N19 H57C17-N59 CarbonylContact O-C 3.55Å; C17-N59 WeakPolarHBondContact O-CA 3.32Å; R18-N59 VanDerWaalsContact CA-OD1 3.28Å; R18-N59 WeakPolarHBondContact CA-OD1 3.39Å; R18-N59 PolarHBondContact NH1-O 3.03Å; N19-N59 PolarHBondContact N-OD1 2.92Å; H57-N59 PolarHBondContact CE1-O 3.13Å; H57-N59 PolarHBondContact ND1-N 2.81Å; H57-N59 PolarHBondContact ND1-O 2.8Å
60P86.3Confident86.7Confident0 Ų053.6 Ų53.60%027%0.274CS..  trans-61142.1-169.528.6-38000112.4A16 C17 R18 L20 P31 I54 H57 F62A16-P60 CarbonylContact C-O 3.6Å; A16-P60 VanDerWaalsContact CA-O 3.28Å; A16-P60 WeakPolarHBondContact CA-O 3.05Å; C17-P60 HydrophobicContact CB-CG 3.74Å; C17-P60 PolarHBondContact N-O 2.9Å; R18-P60 PolarHBondContact NH1-O 3.44Å; L20-P60 HydrophobicContact CD1-CG 3.98Å; P31-P60 HydrophobicContact CB-CG 3.95Å; P31-P60 HydrophobicContact CG-CB 3.85Å; P31-P60 HydrophobicContact CG-CG 3.66Å; I54-P60 HydrophobicContact CB-CB 4.32Å; I54-P60 HydrophobicContact CD1-CB 3.71Å; H57-P60 VanDerWaalsContact ND1-CA 3.34Å; H57-P60 WeakPolarHBondContact ND1-CA 3.16Å; P60-F62 HydrophobicContact CB-CD2 4.47Å; P60-F62 HydrophobicContact CB-CE1 4.09Å; P60-F62 HydrophobicContact CB-CE2 3.85Å; P60-F62 HydrophobicContact CB-CZ 3.64Å; P60-F62 HydrophobicContact CG-CE2 3.71Å; P60-F62 HydrophobicContact CG-CZ 3.61Å
61D79.6Confident86.5Confident98 Ų9851.7 Ų51.752%0.52427%0.268SS..BIsolated β-bridgetrans-114.1115.6163.5-69.4-58.6000106.8A16 R18 I54A16-D61 WeakPolarHBondContact CB-OD1 3.36Å; R18-D61 IonicContact CZ-OD1 3.82Å; R18-D61 VanDerWaalsContact CZ-OD1 3.29Å; R18-D61 IonicContact CZ-OD2 3.7Å; R18-D61 IonicContact NH1-OD1 3.65Å; R18-D61 PolarHBondContact NH1-OD1 2.94Å; R18-D61 IonicContact NH1-OD2 2.72Å; R18-D61 IonicContact NH2-OD1 3.89Å; R18-D61 PolarHBondContact NH2-OD1 3.04Å; R18-D61 IonicContact NH2-OD2 2.65Å; R18-D61 PolarHBondContact NH2-OD2 2.8Å; I54-D61 VanDerWaalsContact CD1-O 3.26Å; I54-D61 WeakPolarHBondContact CD1-O 3.34Å
62F84Confident86.5Confident7 Ų751.6 Ų51.63%0.03127%0.267CS..  trans-88.3131.1-174.8-58.4-83.3000110.7I15 P31 V33 T51 E52 I54 P60I15-F62 HydrophobicContact CB-CD2 4.23Å; I15-F62 HydrophobicContact CG2-CD2 4Å; I15-F62 HydrophobicContact CG2-CE2 4.35Å; I15-F62 WeakPolarHBondContact O-CD2 3.41Å; I15-F62 PolarHBondContact O-N 3.28Å; P31-F62 HydrophobicContact CB-CZ 4.17Å; V33-F62 HydrophobicContact CG2-CD2 4.27Å; V33-F62 HydrophobicContact CG2-CE2 3.52Å; V33-F62 HydrophobicContact CG2-CZ 3.75Å; T51-F62 HydrophobicContact CG2-CB 3.88Å; T51-F62 HydrophobicContact CG2-CD1 4.09Å; T51-F62 HydrophobicContact CG2-CD2 4.22Å; T51-F62 HydrophobicContact CG2-CG 3.8Å; T51-F62 VanDerWaalsContact OG1-CD1 3.3Å; T51-F62 WeakPolarHBondContact OG1-CD1 3.38Å; T51-F62 WeakPolarHBondContact OG1-CE1 3.46Å; E52-F62 WeakPolarHBondContact O-CD1 3.29Å; E52-F62 WeakPolarHBondContact O-CE1 3.37Å; E52-F62 VanDerWaalsContact OE1-CA 3.29Å; E52-F62 WeakPolarHBondContact OE1-CA 3.49Å; I54-F62 HydrophobicContact CD1-CD1 3.74Å; I54-F62 HydrophobicContact CD1-CE1 3.99Å; I54-F62 HydrophobicContact CD1-CG 4.35Å; I54-F62 HydrophobicContact CG1-CD1 4.16Å; I54-F62 HydrophobicContact CG1-CE1 4.19Å; P60-F62 HydrophobicContact CB-CD2 4.47Å; P60-F62 HydrophobicContact CB-CE1 4.09Å; P60-F62 HydrophobicContact CB-CE2 3.85Å; P60-F62 HydrophobicContact CB-CZ 3.64Å; P60-F62 HydrophobicContact CG-CE2 3.71Å; P60-F62 HydrophobicContact CG-CZ 3.61Å
63A74.7Confident86.6Confident77 Ų7749.4 Ų49.464%0.63626%0.257SS*.  trans-75.6-39.3177.700000111.6E52 K65E52-A63 PolarHBondContact OE1-N 2.89Å; A63-K65 PolarHBondContact O-N 2.86Å
64K84Confident86.4Confident79 Ų7948.4 Ų48.434%0.34325%0.251SS..  trans-66.5129179.5-176.2173.7170.7-167.40110.6D49 R50 E52D49-K64 IonicContact OD1-NZ 3.48Å; D49-K64 PolarHBondContact OD1-NZ 3.17Å; D49-K64 WeakPolarHBondContact OD2-CE 3.46Å; D49-K64 IonicContact OD2-NZ 3.61Å; D49-K64 PolarHBondContact OD2-NZ 3.03Å; R50-K64 VanDerWaalsContact O-CD 3.28Å; R50-K64 WeakPolarHBondContact O-CD 3.38Å; R50-K64 VanDerWaalsContact O-CE 3.27Å; R50-K64 WeakPolarHBondContact O-CE 3.47Å; R50-K64 PolarHBondContact O-NZ 3.36Å; E52-K64 WeakPolarHBondContact OE2-CB 3.32Å; E52-K64 PolarHBondContact OE2-N 2.92Å
65K84.4Confident86.8Confident75 Ų7550.1 Ų50.133%0.32626%0.258SS..  trans-91.9145.9174.2-50.1-54.8179.1-172.50110.3E12 L13 S14 A63E12-K65 HydrophobicContact CB-CB 4.36Å; E12-K65 HydrophobicContact CG-CB 3.99Å; E12-K65 HydrophobicContact CG-CG 4.48Å; L13-K65 WeakPolarHBondContact O-CA 3.48Å; S14-K65 WeakPolarHBondContact OG-CD 3.43Å; S14-K65 WeakPolarHBondContact OG-CE 3.49Å; S14-K65 PolarHBondContact OG-NZ 2.71Å; A63-K65 PolarHBondContact O-N 2.86Å
66I91.3Very high87.2Confident0 Ų045 Ų450%023%0.234CC..EExtended strand (participates in β ladder)trans-98.3114.5171.9-47.1-62.5000107L13 I15 V35 L48 D49L13-I66 HydrophobicContact CB-CB 4.16Å; L13-I66 PolarHBondContact N-O 3.06Å; L13-I66 PolarHBondContact O-N 2.84Å; I15-I66 HydrophobicContact CD1-CG1 3.78Å; V35-I66 HydrophobicContact CG2-CD1 4.32Å; V35-I66 HydrophobicContact CG2-CG1 3.97Å; L48-I66 HydrophobicContact CD2-CG2 3.77Å; L48-I66 HydrophobicContact CG-CG2 4.3Å; D49-I66 HydrophobicContact CB-CD1 3.9Å; D49-I66 HydrophobicContact CB-CG2 4.15Å
67V89.5Confident87.7Confident80 Ų8045.5 Ų45.549%0.48523%0.23SC..EExtended strand (participates in β ladder)trans-98.4127.8-176.7-175.10000109T10 V11 E12T10-V67 HydrophobicContact CG2-CG1 3.37Å; V11-V67 WeakPolarHBondContact O-CA 3.27Å; E12-V67 HydrophobicContact CG-CG2 3.83Å
68M91.7Very high88.4Confident13 Ų1341.8 Ų41.86%0.06421%0.213CC..EExtended strand (participates in β ladder)trans-149.6160.2177.363.9-175.5-57.200112.4V11 L13 L48 L78 L105V11-M68 HydrophobicContact CG2-CG 3.87Å; V11-M68 WeakPolarHBondContact CG2-O 3.23Å; V11-M68 PolarHBondContact N-O 2.89Å; V11-M68 PolarHBondContact O-N 3.4Å; L13-M68 HydrophobicContact CD1-SD 3.99Å; L48-M68 HydrophobicContact CD2-CB 4.2Å; L48-M68 HydrophobicContact CD2-CE 4.14Å; L48-M68 HydrophobicContact CD2-SD 3.89Å; M68-L78 HydrophobicContact CE-CD2 3.99Å; M68-L78 HydrophobicContact SD-CD1 4.02Å; M68-L78 HydrophobicContact SD-CD2 4.25Å; M68-L105 HydrophobicContact CE-CD2 3.75Å; M68-L105 HydrophobicContact CG-CD1 4.43Å; M68-L105 HydrophobicContact CG-CD2 4.04Å; M68-L105 HydrophobicContact SD-CD1 3.85Å; M68-L105 HydrophobicContact SD-CD2 3.85Å; M68-L105 HydrophobicContact SD-CG 4.39Å
69E91.5Very high88.9Confident72 Ų7241 Ų4134%0.33621%0.209SC..EExtended strand (participates in β ladder)trans-79.8133.7173.2-65.5-60.5126.500110.1S8 T10 Q76S8-E69 WeakPolarHBondContact CB-OE2 3.47Å; S8-E69 PolarHBondContact OG-OE2 2.8Å; T10-E69 PolarHBondContact OG1-OE1 3.04Å; E69-Q76 PolarHBondContact O-NE2 3.39Å
70Y90.8Very high89.5Confident10 Ų1038.1 Ų38.14%0.03919%0.194CC..EExtended strand (participates in β ladder)trans-100.5131.2173.7165.5-93.7000110.2S8 T9 V11 F72 L105 A109 L283 Y338S8-Y70 WeakPolarHBondContact CA-O 3.23Å; T9-Y70 HydrophobicContact CG2-CD1 3.86Å; T9-Y70 HydrophobicContact CG2-CG 4.39Å; T9-Y70 PolarHBondContact N-O 2.87Å; T9-Y70 WeakPolarHBondContact O-CB 3.45Å; T9-Y70 PolarHBondContact O-N 3.31Å; V11-Y70 HydrophobicContact CG1-CG 4.49Å; Y70-F72 HydrophobicContact CE1-CB 4.08Å; Y70-L105 HydrophobicContact CD2-CD2 3.95Å; Y70-L105 HydrophobicContact CD2-CG 4.04Å; Y70-L105 HydrophobicContact CG-CD2 4.46Å; Y70-A109 HydrophobicContact CD2-CB 4.01Å; Y70-A109 HydrophobicContact CE2-CB 3.89Å; Y70-L283 HydrophobicContact CD1-CD1 3.92Å; Y70-L283 HydrophobicContact CD1-CD2 4.36Å; Y70-L283 HydrophobicContact CD1-CG 4.26Å; Y70-L283 HydrophobicContact CE1-CD1 4.08Å; Y70-L283 HydrophobicContact CE1-CD2 3.7Å; Y70-L283 HydrophobicContact CE1-CG 3.92Å; Y70-L283 HydrophobicContact CE2-CD2 4.24Å; Y70-L283 HydrophobicContact CG-CD1 4.26Å; Y70-Y338 WeakPolarHBondContact CE2-OH 3.37Å; Y70-Y338 WeakPolarHBondContact OH-CE1 3.18Å; Y70-Y338 PolarHBondContact OH-OH 2.84Å
71H91.5Very high90Very high37 Ų3738.5 Ų38.517%0.17120%0.196CC..  trans-124.3109.7177.4-62.1-78.4000108.7S6 S8 E73 E74S6-H71 PolarHBondContact OG-ND1 3.4Å; S8-H71 VanDerWaalsContact CB-CE1 3.41Å; S8-H71 WeakPolarHBondContact CB-CE1 3.49Å; H71-E73 IonicContact ND1-OE1 3.14Å; H71-E73 PolarHBondContact O-N 3.43Å; H71-E74 HydrophobicContact CB-CB 4.09Å; H71-E74 HydrophobicContact CB-CG 4.06Å; H71-E74 PolarHBondContact O-N 3.1Å
72F90.7Very high90.8Very high5 Ų533.9 Ų33.92%0.02217%0.171CC..THydrogen-bonded Turntrans-56.9-36.8178.8167.2-106.6000111.7Y70 E74 F282 L292 I334 I335 Y338 L511 I514 P515Y70-F72 HydrophobicContact CE1-CB 4.08Å; F72-E74 PolarHBondContact O-N 3.39Å; F72-F282 AromaticContact CD2-CE1 3.53Å; F72-F282 HydrophobicContact CD2-CE1 3.53Å; F72-F282 AromaticContact CD2-CZ 3.51Å; F72-F282 HydrophobicContact CD2-CZ 3.51Å; F72-F282 HydrophobicContact CE2-CE1 4.03Å; F72-F282 HydrophobicContact CE2-CE2 4.39Å; F72-F282 AromaticContact CE2-CZ 3.51Å; F72-F282 HydrophobicContact CE2-CZ 3.51Å; F72-F282 HydrophobicContact CG-CE1 4.2Å; F72-F282 HydrophobicContact CG-CZ 4.33Å; F72-F282 HydrophobicContact CZ-CZ 4.31Å; F72-L292 HydrophobicContact CE2-CD1 3.83Å; F72-L292 HydrophobicContact CZ-CD1 3.99Å; F72-I334 WeakPolarHBondContact O-CG2 3.26Å; F72-I335 HydrophobicContact CE2-CD1 4.4Å; F72-I335 HydrophobicContact CZ-CD1 3.7Å; F72-Y338 HydrophobicContact CD2-CD2 4.31Å; F72-Y338 HydrophobicContact CD2-CE1 4.02Å; F72-Y338 AromaticContact CD2-CE2 3.73Å; F72-Y338 HydrophobicContact CD2-CE2 3.73Å; F72-Y338 AromaticContact CD2-CZ 3.58Å; F72-Y338 HydrophobicContact CE2-CD1 4.38Å; F72-Y338 AromaticContact CE2-CD2 3.78Å; F72-Y338 HydrophobicContact CE2-CD2 3.78Å; F72-Y338 HydrophobicContact CE2-CE1 4.28Å; F72-Y338 AromaticContact CE2-CE2 3.63Å; F72-Y338 HydrophobicContact CE2-CE2 3.63Å; F72-Y338 HydrophobicContact CE2-CG 4.17Å; F72-Y338 AromaticContact CE2-CZ 3.91Å; F72-L511 HydrophobicContact CD1-CB 4.1Å; F72-L511 HydrophobicContact CE1-CB 3.77Å; F72-L511 HydrophobicContact CE1-CD1 4.39Å; F72-L511 HydrophobicContact CE1-CD2 4.27Å; F72-L511 HydrophobicContact CE1-CG 4.37Å; F72-I514 HydrophobicContact CE1-CB 3.73Å; F72-I514 HydrophobicContact CE1-CG1 4.35Å; F72-I514 HydrophobicContact CE1-CG2 3.89Å; F72-I514 HydrophobicContact CZ-CB 4.27Å; F72-I514 HydrophobicContact CZ-CG2 3.9Å; F72-P515 HydrophobicContact CB-CG 4.01Å; F72-P515 HydrophobicContact CD1-CG 3.66Å; F72-P515 HydrophobicContact CE1-CG 4.36Å; F72-P515 HydrophobicContact CG-CG 3.89Å
73E90.8Very high91.3Very high15 Ų1535.1 Ų35.17%0.0718%0.176CC..THydrogen-bonded Turntrans-81.64.2-173.574.1-78.2-166.500114.6S6 H71 I334 T507 K508 L511S6-E73 PolarHBondContact OG-OE1 2.91Å; S6-E73 VanDerWaalsContact OG-OE1 3.08Å; H71-E73 IonicContact ND1-OE1 3.14Å; H71-E73 PolarHBondContact O-N 3.43Å; E73-I334 VanDerWaalsContact O-CD1 3.24Å; E73-I334 WeakPolarHBondContact O-CD1 3.28Å; E73-T507 WeakPolarHBondContact O-CB 3.5Å; E73-T507 PolarHBondContact O-OG1 3.22Å; E73-K508 HydrophobicContact CG-CB 3.96Å; E73-K508 HydrophobicContact CG-CG 3.87Å; E73-L511 HydrophobicContact CB-CB 3.9Å
74E88.6Confident92.2Very high39 Ų3931.6 Ų31.618%0.18215%0.146CC..SBendtrans-129.1139.8178.4-57.6-164.5168.200112.1H71 F72 Q76 R504H71-E74 HydrophobicContact CB-CB 4.09Å; H71-E74 HydrophobicContact CB-CG 4.06Å; H71-E74 PolarHBondContact O-N 3.1Å; F72-E74 PolarHBondContact O-N 3.39Å; E74-Q76 HydrophobicContact CB-CG 4.27Å; E74-Q76 PolarHBondContact O-N 3.37Å; E74-Q76 VanDerWaalsContact O-N 3.13Å; E74-R504 HydrophobicContact CG-CG 4.35Å; E74-R504 IonicContact OE1-CZ 2.72Å; E74-R504 IonicContact OE1-NH1 3.63Å; E74-R504 PolarHBondContact OE1-NH1 2.76Å
75Q88Confident92.4Very high73 Ų7328.7 Ų28.734%0.34114%0.135SC..  trans-8581.8169.3-166.8178.353.400110.2R77 T104 E333 I334Q75-R77 HydrophobicContact CG-CG 4.47Å; Q75-R77 PolarHBondContact O-N 2.91Å; Q75-R77 VanDerWaalsContact O-N 3.1Å; Q75-T104 HydrophobicContact CG-CG2 3.62Å; Q75-E333 PolarHBondContact NE2-O 2.69Å; Q75-E333 VanDerWaalsContact NE2-O 3.09Å; Q75-I334 HydrophobicContact CB-CG1 4.19Å
76Q92.6Very high92.3Very high12 Ų1227.8 Ų27.86%0.05613%0.134CC..  trans-70.9103.3178.5-66173.9-100.300110.6E69 E74 T104 L105E69-Q76 PolarHBondContact O-NE2 3.39Å; E74-Q76 HydrophobicContact CB-CG 4.27Å; E74-Q76 PolarHBondContact O-N 3.37Å; E74-Q76 VanDerWaalsContact O-N 3.13Å; Q76-T104 CarbonylContact O-C 3.54Å; Q76-T104 VanDerWaalsContact O-CA 3.25Å; Q76-T104 WeakPolarHBondContact O-CA 3.29Å; Q76-L105 HydrophobicContact CB-CB 3.88Å; Q76-L105 PolarHBondContact O-N 2.57Å
77R94.9Very high91.9Very high93 Ų9335 Ų3535%0.35116%0.162SC..EExtended strand (participates in β ladder)trans-86.4128.8-176.7-68.1179.162.5169.14.5111.3K38 W45 Q75 E102 T104K38-R77 HydrophobicContact CB-CB 3.95Å; K38-R77 PolarHBondContact N-O 2.97Å; W45-R77 HydrophobicContact CH2-CB 4.23Å; W45-R77 WeakPolarHBondContact CZ3-O 3.06Å; Q75-R77 HydrophobicContact CG-CG 4.47Å; Q75-R77 PolarHBondContact O-N 2.91Å; Q75-R77 VanDerWaalsContact O-N 3.1Å; R77-E102 IonicContact NH2-OE2 3.6Å; R77-E102 PolarHBondContact NH2-OE2 2.88Å; R77-E102 VanDerWaalsContact NH2-OE2 3.14Å; R77-T104 HydrophobicContact CG-CG2 4.4Å
78L97.6Very high91.7Very high0 Ų040.1 Ų40.10%018%0.177CC..EExtended strand (participates in β ladder)trans-118.5144-178.8-61.7179.7000111.3L13 V35 F36 E37 M68 F80 E102 T103 L105 I108L13-L78 HydrophobicContact CD1-CD1 4.01Å; V35-L78 HydrophobicContact CG1-CD2 4.49Å; F36-L78 CarbonylContact O-C 3.45Å; F36-L78 WeakPolarHBondContact O-CA 3.41Å; E37-L78 HydrophobicContact CB-CD2 4.05Å; E37-L78 HydrophobicContact CG-CD2 4.24Å; M68-L78 HydrophobicContact CE-CD2 3.99Å; M68-L78 HydrophobicContact SD-CD1 4.02Å; M68-L78 HydrophobicContact SD-CD2 4.25Å; L78-F80 HydrophobicContact CB-CD2 4.33Å; L78-F80 HydrophobicContact CB-CE2 3.61Å; L78-F80 HydrophobicContact CB-CZ 4.22Å; L78-F80 HydrophobicContact CD1-CE2 4.08Å; L78-F80 HydrophobicContact CD1-CZ 3.93Å; L78-E102 WeakPolarHBondContact O-CA 3.44Å; L78-T103 PolarHBondContact N-O 2.89Å; L78-T103 PolarHBondContact O-N 2.82Å; L78-T103 VanDerWaalsContact O-O 3.13Å; L78-L105 HydrophobicContact CD1-CB 4.23Å; L78-L105 HydrophobicContact CD1-CD1 4.14Å; L78-I108 HydrophobicContact CD1-CD1 3.99Å
79N98Very high91.2Very high16 Ų1640.9 Ų40.99%0.08618%0.184CC..EExtended strand (participates in β ladder)trans-126.5116.1171.5-17824.6000109.3F36 W45 N100 C101 E102F36-N79 HydrophobicContact CB-CB 4.34Å; F36-N79 PolarHBondContact N-O 2.88Å; F36-N79 PolarHBondContact O-N 3.3Å; W45-N79 HydrophobicContact CD2-CB 4.04Å; W45-N79 HydrophobicContact CE3-CB 3.72Å; W45-N79 HydrophobicContact CH2-CB 3.62Å; W45-N79 HydrophobicContact CZ2-CB 3.95Å; W45-N79 HydrophobicContact CZ3-CB 3.49Å; W45-N79 VanDerWaalsContact CZ3-CB 3.49Å; N79-N100 PolarHBondContact OD1-ND2 2.96Å; N79-C101 WeakPolarHBondContact CA-O 3.2Å; N79-C101 PolarHBondContact OD1-O 2.92Å; N79-E102 HydrophobicContact CB-CG 4.15Å
80F98.2Very high90.7Very high0 Ų045 Ų450%021%0.208CC..EExtended strand (participates in β ladder)trans-97114178.2-63-99.9000108.3L13 I15 V33 V35 L78 N100 C101 T103 I108 I129 I131L13-F80 HydrophobicContact CD1-CE1 4.44Å; L13-F80 HydrophobicContact CD1-CZ 4.1Å; I15-F80 HydrophobicContact CD1-CD1 3.92Å; I15-F80 HydrophobicContact CD1-CE1 3.82Å; I15-F80 HydrophobicContact CG1-CD1 4.46Å; I15-F80 HydrophobicContact CG1-CE1 4.21Å; V33-F80 HydrophobicContact CG1-CB 4.26Å; V33-F80 HydrophobicContact CG1-CD1 4.3Å; V35-F80 HydrophobicContact CG1-CD1 4.3Å; V35-F80 HydrophobicContact CG1-CE1 3.99Å; V35-F80 HydrophobicContact CG1-CZ 4.26Å; V35-F80 HydrophobicContact CG2-CD1 3.69Å; V35-F80 HydrophobicContact CG2-CE1 3.78Å; L78-F80 HydrophobicContact CB-CD2 4.33Å; L78-F80 HydrophobicContact CB-CE2 3.61Å; L78-F80 HydrophobicContact CB-CZ 4.22Å; L78-F80 HydrophobicContact CD1-CE2 4.08Å; L78-F80 HydrophobicContact CD1-CZ 3.93Å; F80-N100 CarbonylContact O-C 3.51Å; F80-N100 WeakPolarHBondContact O-CA 3.45Å; F80-N100 WeakPolarHBondContact O-CB 3.38Å; F80-C101 PolarHBondContact N-O 3.08Å; F80-C101 PolarHBondContact O-N 3.03Å; F80-T103 HydrophobicContact CD2-CG2 4.14Å; F80-T103 HydrophobicContact CE2-CG2 3.71Å; F80-I108 HydrophobicContact CE2-CD1 4.06Å; F80-I108 HydrophobicContact CZ-CD1 3.99Å; F80-I129 HydrophobicContact CB-CD1 3.6Å; F80-I129 HydrophobicContact CD1-CD1 4.12Å; F80-I129 HydrophobicContact CG-CD1 4.06Å; F80-I131 HydrophobicContact CD1-CD1 3.98Å; F80-I131 HydrophobicContact CD1-CG1 4.29Å; F80-I131 HydrophobicContact CD2-CD1 3.61Å; F80-I131 HydrophobicContact CE1-CD1 3.88Å; F80-I131 HydrophobicContact CE1-CG1 4.09Å; F80-I131 HydrophobicContact CE1-CG2 4.2Å; F80-I131 HydrophobicContact CE2-CD1 3.51Å; F80-I131 HydrophobicContact CG-CD1 3.86Å; F80-I131 HydrophobicContact CZ-CD1 3.65Å; F80-I131 HydrophobicContact CZ-CG1 4.22Å; F80-I131 HydrophobicContact CZ-CG2 4.04Å
81V98Very high90.4Very high8 Ų850.4 Ų50.45%0.04823%0.232CC..EExtended strand (participates in β ladder)trans-113.4118.8-174-170.90000108.5V33 V34 F36 Y83 F97 N100V33-V81 WeakPolarHBondContact CA-O 3.13Å; V34-V81 PolarHBondContact N-O 2.87Å; V34-V81 PolarHBondContact O-N 3.46Å; F36-V81 HydrophobicContact CD2-CB 4.35Å; F36-V81 HydrophobicContact CD2-CG2 3.61Å; F36-V81 HydrophobicContact CE2-CB 3.93Å; F36-V81 HydrophobicContact CE2-CG2 3.56Å; V81-Y83 HydrophobicContact CB-CE2 3.89Å; V81-Y83 HydrophobicContact CG1-CD2 4.08Å; V81-Y83 HydrophobicContact CG1-CE1 4.37Å; V81-Y83 HydrophobicContact CG1-CE2 3.31Å; V81-Y83 VanDerWaalsContact CG1-CZ 3.5Å; V81-F97 HydrophobicContact CG1-CD2 3.8Å; V81-F97 HydrophobicContact CG1-CE2 3.5Å; V81-N100 HydrophobicContact CG2-CB 4.16Å
82V96.6Very high90Very high0 Ų049.9 Ų49.90%023%0.23CC..EExtended strand (participates in β ladder)trans-97.4128.3-177.4-167.40000109.4L20 L32 V33 L98 G99 L118L20-V82 HydrophobicContact CD1-CG1 4.24Å; L20-V82 HydrophobicContact CD2-CG1 4.11Å; L32-V82 WeakPolarHBondContact O-CA 3.43Å; V33-V82 HydrophobicContact CG2-CG1 4.42Å; V33-V82 HydrophobicContact CG2-CG2 4.14Å; V82-L98 HydrophobicContact CB-CB 4.31Å; V82-L98 HydrophobicContact CG1-CB 4.26Å; V82-L98 HydrophobicContact CG1-CD1 4.17Å; V82-L98 PolarHBondContact O-N 3.15Å; V82-G99 PolarHBondContact N-O 2.81Å; V82-L118 HydrophobicContact CB-CD1 4.36Å; V82-L118 HydrophobicContact CG2-CD1 3.76Å; V82-L118 HydrophobicContact CG2-CD2 3.66Å; V82-L118 HydrophobicContact CG2-CG 4.39Å
83Y94.8Very high89.8Confident34 Ų3456.2 Ų56.213%0.13326%0.26CS..EExtended strand (participates in β ladder)trans-120.8147.4178.1-68.2-84000111.3P31 L32 V34 V81 L92 H95 D96 F97P31-Y83 CarbonylContact C-O 3.54Å; P31-Y83 VanDerWaalsContact CA-O 3.28Å; P31-Y83 WeakPolarHBondContact CA-O 3.31Å; L32-Y83 PolarHBondContact N-O 3.16Å; L32-Y83 PolarHBondContact O-N 3.26Å; V34-Y83 HydrophobicContact CB-CE2 4.25Å; V34-Y83 HydrophobicContact CG2-CD2 3.86Å; V34-Y83 HydrophobicContact CG2-CE2 3.9Å; V81-Y83 HydrophobicContact CB-CE2 3.89Å; V81-Y83 HydrophobicContact CG1-CD2 4.08Å; V81-Y83 HydrophobicContact CG1-CE1 4.37Å; V81-Y83 HydrophobicContact CG1-CE2 3.31Å; V81-Y83 VanDerWaalsContact CG1-CZ 3.5Å; Y83-L92 HydrophobicContact CD2-CD2 4.49Å; Y83-L92 HydrophobicContact CE2-CD2 4.4Å; Y83-H95 HydrophobicContact CD1-CB 3.83Å; Y83-H95 HydrophobicContact CG-CB 4.18Å; Y83-D96 CarbonylContact C-O 3.5Å; Y83-D96 VanDerWaalsContact CA-O 3.24Å; Y83-D96 WeakPolarHBondContact CA-O 3.18Å; Y83-F97 HydrophobicContact CD1-CB 4.48Å; Y83-F97 HydrophobicContact CE1-CB 4.35Å; Y83-F97 HydrophobicContact CE1-CD2 4.29Å
84G92.2Very high89.7Confident2 Ų261.3 Ų61.32%0.02128%0.282CS..EExtended strand (participates in β ladder)trans-93.8119.1160.300000109.2D86 H95 D96G84-D86 PolarHBondContact O-N 2.98Å; G84-H95 WeakPolarHBondContact O-CB 3.14Å; G84-D96 PolarHBondContact N-O 3.41Å; G84-D96 PolarHBondContact O-N 2.88Å
85V88Confident89.7Confident18 Ų1860.3 Ų60.311%0.10928%0.277CS..  trans-72.5122.9-172.5174.50000111.9D30 L32 I53 W87D30-V85 HydrophobicContact CB-CB 4.32Å; D30-V85 PolarHBondContact O-N 3.3Å; L32-V85 HydrophobicContact CB-CG2 3.81Å; L32-V85 HydrophobicContact CD2-CG2 4.22Å; I53-V85 HydrophobicContact CD1-CB 4.37Å; I53-V85 HydrophobicContact CD1-CG1 4.03Å; I53-V85 HydrophobicContact CD1-CG2 3.83Å; I53-V85 HydrophobicContact CG1-CG2 3.87Å; I53-V85 HydrophobicContact CG2-CB 4.17Å; I53-V85 HydrophobicContact CG2-CG2 3.86Å; V85-W87 HydrophobicContact CG1-CD2 4.44Å
86D82.4Confident89.8Confident57 Ų5761.1 Ų61.131%0.30528%0.284SS..  trans-85.5105.9160-175.6-1.6000109.7G84 K88 S89 H95G84-D86 PolarHBondContact O-N 2.98Å; D86-K88 PolarHBondContact O-N 3.28Å; D86-K88 VanDerWaalsContact OD1-CB 3.29Å; D86-K88 WeakPolarHBondContact OD1-CB 3.12Å; D86-K88 VanDerWaalsContact OD1-CG 3.31Å; D86-K88 WeakPolarHBondContact OD1-CG 3.26Å; D86-K88 PolarHBondContact OD1-N 2.93Å; D86-S89 PolarHBondContact O-N 2.8Å; D86-S89 VanDerWaalsContact O-N 3.11Å; D86-S89 VanDerWaalsContact O-O 3.11Å; D86-H95 PolarHBondContact N-ND1 2.86Å
87W83.1Confident89.8Confident152 Ų15264 Ų6458%0.57630%0.296SS*.THydrogen-bonded Turntrans-59.1-7.9178.5-68.291.4000115D30 I53 H55 V85 S89D30-W87 PolarHBondContact OD2-NE1 3.44Å; I53-W87 HydrophobicContact CD1-CH2 4.1Å; I53-W87 HydrophobicContact CD1-CZ2 4.38Å; I53-W87 HydrophobicContact CG2-CZ2 3.97Å; H55-W87 AromaticContact CE1-CE2 3.8Å; H55-W87 AromaticContact CE1-CH2 3.61Å; H55-W87 AromaticContact CE1-CZ2 3.07Å; H55-W87 WeakPolarHBondContact CE1-CZ2 3.48Å; H55-W87 AromaticContact ND1-CZ2 3.57Å; V85-W87 HydrophobicContact CG1-CD2 4.44Å; W87-S89 VanDerWaalsContact C-N 3.32Å
88K84.8Confident89.8Confident187 Ų18759.6 Ų59.681%0.81328%0.28SS*.THydrogen-bonded Turntrans-81.2-9.1175.9-62.3170.4-173.8163.20113.5D86D86-K88 PolarHBondContact O-N 3.28Å; D86-K88 VanDerWaalsContact OD1-CB 3.29Å; D86-K88 WeakPolarHBondContact OD1-CB 3.12Å; D86-K88 VanDerWaalsContact OD1-CG 3.31Å; D86-K88 WeakPolarHBondContact OD1-CG 3.26Å; D86-K88 PolarHBondContact OD1-N 2.93Å
89S82.3Confident89.7Confident29 Ų2959.6 Ų59.620%0.20328%0.28CS..  trans-151.1139.5-177.5-168.40000112.6D86 W87 K91 K94 H95D86-S89 PolarHBondContact O-N 2.8Å; D86-S89 VanDerWaalsContact O-N 3.11Å; D86-S89 VanDerWaalsContact O-O 3.11Å; W87-S89 VanDerWaalsContact C-N 3.32Å; S89-K91 PolarHBondContact O-N 2.73Å; S89-K91 PolarHBondContact OG-N 2.84Å; S89-K94 WeakPolarHBondContact OG-CG 3.36Å; S89-H95 PolarHBondContact O-CE1 2.79Å
90D80.8Confident89.7Confident158 Ų15859.5 Ų59.585%0.84528%0.279SS*.SBendtrans-81.6-1.2170.9-54.5-48.1000113.3
91K84.1Confident89.7Confident124 Ų12459.9 Ų59.954%0.53928%0.281SS..  trans-89.7126.4-173.7-61.1-164.8-178.3-172.10110.9S89 E93 K94S89-K91 PolarHBondContact O-N 2.73Å; S89-K91 PolarHBondContact OG-N 2.84Å; K91-E93 WeakPolarHBondContact CD-OE1 3.19Å; K91-E93 PolarHBondContact O-N 2.94Å; K91-K94 HydrophobicContact CB-CG 4.15Å; K91-K94 WeakPolarHBondContact O-CB 3.32Å; K91-K94 PolarHBondContact O-N 2.84Å
92L84.2Confident89.6Confident26 Ų2664 Ų6414%0.13630%0.3CS..G310 helixtrans-56-36.8-177.5-69.6-179.8000112.9V34 F36 Y83 K94 H95V34-L92 HydrophobicContact CG1-CD1 4.34Å; V34-L92 HydrophobicContact CG2-CD1 4.25Å; V34-L92 HydrophobicContact CG2-CD2 3.78Å; F36-L92 HydrophobicContact CZ-CD1 4.44Å; Y83-L92 HydrophobicContact CD2-CD2 4.49Å; Y83-L92 HydrophobicContact CE2-CD2 4.4Å; L92-K94 PolarHBondContact O-N 2.88Å; L92-K94 VanDerWaalsContact O-N 3.1Å; L92-H95 PolarHBondContact O-N 2.73Å; L92-H95 VanDerWaalsContact O-N 3.08Å
93E86.7Confident89.6Confident137 Ų13764.6 Ų64.664%0.6430%0.304SS*.G310 helixtrans-67.9-8178.970.9-88.9-163.700114.5K91K91-E93 WeakPolarHBondContact CD-OE1 3.19Å; K91-E93 PolarHBondContact O-N 2.94Å
94K87.2Confident89.6Confident122 Ų12263.6 Ų63.653%0.5330%0.301SS..G310 helixtrans-98.1-13.5174.8-61.6-58.2-174.8-174.80113S89 K91 L92S89-K94 WeakPolarHBondContact OG-CG 3.36Å; K91-K94 HydrophobicContact CB-CG 4.15Å; K91-K94 WeakPolarHBondContact O-CB 3.32Å; K91-K94 PolarHBondContact O-N 2.84Å; L92-K94 PolarHBondContact O-N 2.88Å; L92-K94 VanDerWaalsContact O-N 3.1Å
95H88.7Confident89.7Confident19 Ų1963.5 Ų63.59%0.08830%0.3CS..SBendtrans-79.8150.8174.7-57.4-32.2000110.7Y83 G84 D86 S89 L92 F97Y83-H95 HydrophobicContact CD1-CB 3.83Å; Y83-H95 HydrophobicContact CG-CB 4.18Å; G84-H95 WeakPolarHBondContact O-CB 3.14Å; D86-H95 PolarHBondContact N-ND1 2.86Å; S89-H95 PolarHBondContact O-CE1 2.79Å; L92-H95 PolarHBondContact O-N 2.73Å; L92-H95 VanDerWaalsContact O-N 3.08Å; H95-F97 PolarHBondContact O-N 2.83Å
96D90.5Very high90Very high90 Ų9062.7 Ų62.748%0.48130%0.296SS..EExtended strand (participates in β ladder)trans-72.5117.5178.3-70.6-30.6000109.3Y83 G84 L98Y83-D96 CarbonylContact C-O 3.5Å; Y83-D96 VanDerWaalsContact CA-O 3.24Å; Y83-D96 WeakPolarHBondContact CA-O 3.18Å; G84-D96 PolarHBondContact N-O 3.41Å; G84-D96 PolarHBondContact O-N 2.88Å; D96-L98 PolarHBondContact O-N 2.87Å
97F93.4Very high90.5Very high73 Ų7362.5 Ų62.532%0.3229%0.293SS..EExtended strand (participates in β ladder)trans-72.1119.8175.1176.2-122.9000110.2V81 Y83 H95 G99 N100 N120 P122V81-F97 HydrophobicContact CG1-CD2 3.8Å; V81-F97 HydrophobicContact CG1-CE2 3.5Å; Y83-F97 HydrophobicContact CD1-CB 4.48Å; Y83-F97 HydrophobicContact CE1-CB 4.35Å; Y83-F97 HydrophobicContact CE1-CD2 4.29Å; H95-F97 PolarHBondContact O-N 2.83Å; F97-G99 WeakPolarHBondContact CE2-O 3.38Å; F97-G99 VanDerWaalsContact CZ-C 3.49Å; F97-N100 HydrophobicContact CE2-CB 4.09Å; F97-N100 HydrophobicContact CZ-CB 4.02Å; F97-N120 HydrophobicContact CE1-CB 4Å; F97-N120 WeakPolarHBondContact CE1-O 3.45Å; F97-N120 HydrophobicContact CZ-CB 4.23Å; F97-P122 WeakPolarHBondContact O-CD 3.47Å
98L94Very high91Very high0 Ų055.3 Ų55.30%027%0.266CS..EExtended strand (participates in β ladder)trans-99-21.5-177.1-58.6-179.1000113.1L20 T23 P29 V82 D96 C126L20-L98 HydrophobicContact CD1-CD1 4.43Å; T23-L98 HydrophobicContact CG2-CD2 3.91Å; P29-L98 HydrophobicContact CB-CD1 3.85Å; P29-L98 HydrophobicContact CB-CD2 4.41Å; P29-L98 HydrophobicContact CG-CD1 3.97Å; V82-L98 HydrophobicContact CB-CB 4.31Å; V82-L98 HydrophobicContact CG1-CB 4.26Å; V82-L98 HydrophobicContact CG1-CD1 4.17Å; V82-L98 PolarHBondContact O-N 3.15Å; D96-L98 PolarHBondContact O-N 2.87Å; L98-C126 WeakPolarHBondContact O-CB 3.31Å; L98-C126 PolarHBondContact O-SG 3.46Å
99G96Very high91.2Very high0 Ų046.4 Ų46.40%023%0.227CC..EExtended strand (participates in β ladder)trans146.2170176.300000112.3V82 F97 K119V82-G99 PolarHBondContact N-O 2.81Å; F97-G99 WeakPolarHBondContact CE2-O 3.38Å; F97-G99 VanDerWaalsContact CZ-C 3.49Å; G99-K119 CarbonylContact C-O 3.53Å; G99-K119 WeakPolarHBondContact CA-O 3.41Å
100N97.6Very high91.5Very high14 Ų1445.8 Ų45.88%0.07522%0.223CC..EExtended strand (participates in β ladder)trans-138.2164178.379.2-52.3000113.7N79 F80 V81 F97 K119 N120N79-N100 PolarHBondContact OD1-ND2 2.96Å; F80-N100 CarbonylContact O-C 3.51Å; F80-N100 WeakPolarHBondContact O-CA 3.45Å; F80-N100 WeakPolarHBondContact O-CB 3.38Å; V81-N100 HydrophobicContact CG2-CB 4.16Å; F97-N100 HydrophobicContact CE2-CB 4.09Å; F97-N100 HydrophobicContact CZ-CB 4.02Å; N100-K119 PolarHBondContact N-O 3.49Å; N100-K119 PolarHBondContact O-N 2.85Å; N100-K119 PolarHBondContact OD1-O 3.5Å; N100-N120 PolarHBondContact OD1-ND2 2.74Å
101C97.3Very high91.8Very high7 Ų741.6 Ų41.65%0.04721%0.206CC..EExtended strand (participates in β ladder)trans-136.1127.3171.6175.30000110.1N79 F80 K116 L118 I129N79-C101 WeakPolarHBondContact CA-O 3.2Å; N79-C101 PolarHBondContact OD1-O 2.92Å; F80-C101 PolarHBondContact N-O 3.08Å; F80-C101 PolarHBondContact O-N 3.03Å; C101-K116 HydrophobicContact CB-CB 4.42Å; C101-K116 WeakPolarHBondContact SG-CB 3.44Å; C101-L118 HydrophobicContact CB-CD2 4.3Å; C101-I129 HydrophobicContact CB-CG2 3.75Å
102E97.2Very high91.8Very high96 Ų9636.4 Ų36.445%0.44919%0.188SC..EExtended strand (participates in β ladder)trans-97.1137.9167.8-69.2-172.2-152.300110.4W45 R77 L78 N79W45-E102 HydrophobicContact CH2-CG 4.37Å; W45-E102 HydrophobicContact CZ2-CG 4.18Å; R77-E102 IonicContact NH2-OE2 3.6Å; R77-E102 PolarHBondContact NH2-OE2 2.88Å; R77-E102 VanDerWaalsContact NH2-OE2 3.14Å; L78-E102 WeakPolarHBondContact O-CA 3.44Å; N79-E102 HydrophobicContact CB-CG 4.15Å
103T96Very high91.9Very high11 Ų1141.6 Ų41.67%0.06721%0.209CC..EExtended strand (participates in β ladder)trans-158-175.6176.9-179.10000108.6L78 F80 E107 I108 I114 I131L78-T103 PolarHBondContact N-O 2.89Å; L78-T103 PolarHBondContact O-N 2.82Å; L78-T103 VanDerWaalsContact O-O 3.13Å; F80-T103 HydrophobicContact CD2-CG2 4.14Å; F80-T103 HydrophobicContact CE2-CG2 3.71Å; T103-E107 PolarHBondContact OG1-OE2 3.37Å; T103-I108 HydrophobicContact CG2-CD1 3.77Å; T103-I108 HydrophobicContact CG2-CG1 4.1Å; T103-I114 HydrophobicContact CG2-CD1 4.07Å; T103-I131 HydrophobicContact CG2-CD1 4.41Å
104T95.3Very high92.2Very high13 Ų1335.8 Ų35.88%0.0818%0.182CC..EExtended strand (participates in β ladder)trans-115.9153.4174.5670000110.3Q75 Q76 R77 G106 E107 I108 D337Q75-T104 HydrophobicContact CG-CG2 3.62Å; Q76-T104 CarbonylContact O-C 3.54Å; Q76-T104 VanDerWaalsContact O-CA 3.25Å; Q76-T104 WeakPolarHBondContact O-CA 3.29Å; R77-T104 HydrophobicContact CG-CG2 4.4Å; T104-G106 PolarHBondContact O-N 2.85Å; T104-E107 PolarHBondContact O-N 3.26Å; T104-E107 WeakPolarHBondContact OG1-CB 3.47Å; T104-E107 PolarHBondContact OG1-N 3.19Å; T104-I108 WeakPolarHBondContact O-CG1 3.48Å; T104-I108 PolarHBondContact O-N 3.49Å; T104-D337 VanDerWaalsContact CB-OD2 3.28Å; T104-D337 WeakPolarHBondContact CB-OD2 3.28Å; T104-D337 VanDerWaalsContact OG1-CG 3.25Å; T104-D337 PolarHBondContact OG1-OD2 2.85Å
105L95.2Very high92.5Very high0 Ų033.6 Ų33.60%018%0.183CC..Hα-helixtrans-62.8-34.5171.5-17161.9000111.1V11 L13 M68 Y70 Q76 L78 I108 A109V11-L105 HydrophobicContact CG2-CD1 3.99Å; V11-L105 HydrophobicContact CG2-CD2 4.03Å; V11-L105 HydrophobicContact CG2-CG 4.45Å; L13-L105 HydrophobicContact CD1-CD1 4.26Å; L13-L105 HydrophobicContact CD2-CD1 3.87Å; M68-L105 HydrophobicContact CE-CD2 3.75Å; M68-L105 HydrophobicContact CG-CD1 4.43Å; M68-L105 HydrophobicContact CG-CD2 4.04Å; M68-L105 HydrophobicContact SD-CD1 3.85Å; M68-L105 HydrophobicContact SD-CD2 3.85Å; M68-L105 HydrophobicContact SD-CG 4.39Å; Y70-L105 HydrophobicContact CD2-CD2 3.95Å; Y70-L105 HydrophobicContact CD2-CG 4.04Å; Y70-L105 HydrophobicContact CG-CD2 4.46Å; Q76-L105 HydrophobicContact CB-CB 3.88Å; Q76-L105 PolarHBondContact O-N 2.57Å; L78-L105 HydrophobicContact CD1-CB 4.23Å; L78-L105 HydrophobicContact CD1-CD1 4.14Å; L105-I108 PolarHBondContact O-N 2.97Å; L105-A109 WeakPolarHBondContact O-CB 3.47Å; L105-A109 PolarHBondContact O-N 2.81Å
106G93Very high92.9Very high2 Ų236 Ų362%0.02119%0.193CC..Hα-helixtrans-54.8-51.1173.700000112.4T104 I108 A109 S110T104-G106 PolarHBondContact O-N 2.85Å; G106-I108 PolarHBondContact O-N 3.2Å; G106-A109 PolarHBondContact O-N 2.82Å; G106-S110 VanDerWaalsContact O-CB 3.25Å; G106-S110 WeakPolarHBondContact O-CB 3.42Å; G106-S110 PolarHBondContact O-N 2.9Å; G106-S110 PolarHBondContact O-OG 3.21Å
107E93.5Very high93.2Very high53 Ų5337.4 Ų37.425%0.24820%0.2CC..Hα-helixtrans-61.3-43178.6-175.6-174.9-175.200112.2T103 T104 S110 S111 I114 K116T103-E107 PolarHBondContact OG1-OE2 3.37Å; T104-E107 PolarHBondContact O-N 3.26Å; T104-E107 WeakPolarHBondContact OG1-CB 3.47Å; T104-E107 PolarHBondContact OG1-N 3.19Å; E107-S110 PolarHBondContact O-OG 3.38Å; E107-S111 VanDerWaalsContact O-CB 3.3Å; E107-S111 WeakPolarHBondContact O-CB 3.47Å; E107-S111 PolarHBondContact O-N 3.49Å; E107-S111 PolarHBondContact O-OG 2.82Å; E107-I114 HydrophobicContact CG-CG2 4.42Å; E107-K116 WeakPolarHBondContact OE1-CE 3.17Å; E107-K116 IonicContact OE1-NZ 2.64Å; E107-K116 PolarHBondContact OE1-NZ 2.94Å; E107-K116 IonicContact OE2-NZ 2.93Å; E107-K116 PolarHBondContact OE2-NZ 2.84Å
108I92.8Very high93.4Very high0 Ų034.3 Ų34.30%019%0.187CC..Hα-helixtrans-67.1-47.2178.5-56.9160.2000110.2L13 L78 F80 T103 T104 L105 G106 G112 I114 I131 A133L13-I108 HydrophobicContact CD2-CG2 4.21Å; L78-I108 HydrophobicContact CD1-CD1 3.99Å; F80-I108 HydrophobicContact CE2-CD1 4.06Å; F80-I108 HydrophobicContact CZ-CD1 3.99Å; T103-I108 HydrophobicContact CG2-CD1 3.77Å; T103-I108 HydrophobicContact CG2-CG1 4.1Å; T104-I108 WeakPolarHBondContact O-CG1 3.48Å; T104-I108 PolarHBondContact O-N 3.49Å; L105-I108 PolarHBondContact O-N 2.97Å; G106-I108 PolarHBondContact O-N 3.2Å; I108-G112 CarbonylContact O-C 3.51Å; I108-G112 WeakPolarHBondContact O-CA 3.33Å; I108-G112 PolarHBondContact O-N 3.16Å; I108-I114 HydrophobicContact CD1-CD1 4.49Å; I108-I114 HydrophobicContact CG1-CD1 3.54Å; I108-I114 HydrophobicContact CG1-CG1 4.04Å; I108-I131 HydrophobicContact CD1-CG2 3.96Å; I108-I131 HydrophobicContact CG1-CG2 4.33Å; I108-I131 HydrophobicContact CG2-CB 4.44Å; I108-I131 HydrophobicContact CG2-CG2 3.78Å; I108-A133 HydrophobicContact CB-CB 4.5Å; I108-A133 HydrophobicContact CG2-CB 3.61Å
109A89.6Confident93.5Very high0 Ų041 Ų410%022%0.216CC..Hα-helixtrans-68.6-39.4-175.700000111.8Y70 L105 G106 L283 Q287Y70-A109 HydrophobicContact CD2-CB 4.01Å; Y70-A109 HydrophobicContact CE2-CB 3.89Å; L105-A109 WeakPolarHBondContact O-CB 3.47Å; L105-A109 PolarHBondContact O-N 2.81Å; G106-A109 PolarHBondContact O-N 2.82Å; A109-L283 HydrophobicContact CB-CD1 4.41Å; A109-L283 HydrophobicContact CB-CD2 3.87Å; A109-Q287 WeakPolarHBondContact O-CG 3.29Å; A109-Q287 PolarHBondContact O-NE2 2.56Å
110S88.9Confident93.5Very high16 Ų1647 Ų4711%0.11225%0.248CC..Hα-helixtrans-67.9-42.9177.766.40000111.9G106 E107 G112 D337G106-S110 VanDerWaalsContact O-CB 3.25Å; G106-S110 WeakPolarHBondContact O-CB 3.42Å; G106-S110 PolarHBondContact O-N 2.9Å; G106-S110 PolarHBondContact O-OG 3.21Å; E107-S110 PolarHBondContact O-OG 3.38Å; S110-G112 VanDerWaalsContact C-N 3.32Å; S110-G112 PolarHBondContact O-N 3.5Å; S110-D337 WeakPolarHBondContact CB-O 3.4Å; S110-D337 PolarHBondContact OG-O 2.86Å
111S87.1Confident93.2Very high70 Ų7047.2 Ų47.249%0.4925%0.253SS..Hα-helixtrans-77.7-18.5179.8-57.90000113.2E107 K113E107-S111 VanDerWaalsContact O-CB 3.3Å; E107-S111 WeakPolarHBondContact O-CB 3.47Å; E107-S111 PolarHBondContact O-N 3.49Å; E107-S111 PolarHBondContact O-OG 2.82Å; S111-K113 PolarHBondContact O-N 2.96Å
112G84.3Confident92.8Very high16 Ų1650.9 Ų50.917%0.16528%0.277CS..SBendtrans68.4-34.3-168.700000113.7I108 S110 S132 A133I108-G112 CarbonylContact O-C 3.51Å; I108-G112 WeakPolarHBondContact O-CA 3.33Å; I108-G112 PolarHBondContact O-N 3.16Å; S110-G112 VanDerWaalsContact C-N 3.32Å; S110-G112 PolarHBondContact O-N 3.5Å; G112-S132 CarbonylContact O-C 3.59Å; G112-S132 WeakPolarHBondContact O-CA 3.45Å; G112-S132 VanDerWaalsContact O-CB 3.3Å; G112-S132 WeakPolarHBondContact O-CB 3.25Å; G112-A133 PolarHBondContact O-N 3Å
113K85.8Confident92.3Very high134 Ų13449 Ų4958%0.58327%0.274SS*.EExtended strand (participates in β ladder)trans-152.1130.4176.7-177.9176.2-177174.20111.7S111 I130 I131S111-K113 PolarHBondContact O-N 2.96Å; K113-I130 HydrophobicContact CD-CG2 4.34Å; K113-I130 HydrophobicContact CG-CG2 4.18Å; K113-I131 CarbonylContact C-O 3.12Å; K113-I131 WeakPolarHBondContact CA-O 3.36Å
114I92.8Very high91.8Very high15 Ų1557.1 Ų57.18%0.07732%0.317CS..EExtended strand (participates in β ladder)trans-121.5157.3174.365.1166.5000111.5T103 E107 I108 K116 I130 I131T103-I114 HydrophobicContact CG2-CD1 4.07Å; E107-I114 HydrophobicContact CG-CG2 4.42Å; I108-I114 HydrophobicContact CD1-CD1 4.49Å; I108-I114 HydrophobicContact CG1-CD1 3.54Å; I108-I114 HydrophobicContact CG1-CG1 4.04Å; I114-K116 HydrophobicContact CD1-CG 4.11Å; I114-I130 WeakPolarHBondContact O-CA 3.45Å; I114-I131 HydrophobicContact CD1-CD1 4.28Å; I114-I131 HydrophobicContact CG1-CB 4.1Å; I114-I131 HydrophobicContact CG1-CD1 4.49Å; I114-I131 PolarHBondContact N-O 3.22Å; I114-I131 PolarHBondContact O-N 3.03Å
115S94.2Very high91.5Very high77 Ų7761.6 Ų61.654%0.53834%0.341SS..EExtended strand (participates in β ladder)trans-131.6129.6167.9-175.40000109.7I129S115-I129 CarbonylContact C-O 3.54Å; S115-I129 WeakPolarHBondContact CA-O 3.24Å
116K96.5Very high91.4Very high68 Ų6861.8 Ų61.830%0.29634%0.342SS..EExtended strand (participates in β ladder)trans-133.5146.7-176-63.6-79.6-174.2172.90109.9C101 E107 I114 S128 I129C101-K116 HydrophobicContact CB-CB 4.42Å; C101-K116 WeakPolarHBondContact SG-CB 3.44Å; E107-K116 WeakPolarHBondContact OE1-CE 3.17Å; E107-K116 IonicContact OE1-NZ 2.64Å; E107-K116 PolarHBondContact OE1-NZ 2.94Å; E107-K116 IonicContact OE2-NZ 2.93Å; E107-K116 PolarHBondContact OE2-NZ 2.84Å; I114-K116 HydrophobicContact CD1-CG 4.11Å; K116-S128 CarbonylContact O-C 3.59Å; K116-S128 VanDerWaalsContact O-CA 3.26Å; K116-S128 WeakPolarHBondContact O-CA 3.46Å; K116-S128 WeakPolarHBondContact O-CB 3.4Å; K116-I129 HydrophobicContact CB-CG2 4.29Å; K116-I129 PolarHBondContact N-O 3.47Å; K116-I129 PolarHBondContact O-N 3.36Å
117L97.4Very high91.5Very high121 Ų12161.8 Ų61.863%0.63434%0.342SS*.EExtended strand (participates in β ladder)trans-72.5137.3171.3-63.8176.2000110
118L97.6Very high91.6Very high8 Ų860.2 Ų60.24%0.04234%0.337CS..  trans-73.2141.1170.3-68.3170.3000109.6L20 V82 C101 C126 G127 I129L20-L118 HydrophobicContact CD2-CD1 3.46Å; L20-L118 VanDerWaalsContact CD2-CD1 3.46Å; V82-L118 HydrophobicContact CB-CD1 4.36Å; V82-L118 HydrophobicContact CG2-CD1 3.76Å; V82-L118 HydrophobicContact CG2-CD2 3.66Å; V82-L118 HydrophobicContact CG2-CG 4.39Å; C101-L118 HydrophobicContact CB-CD2 4.3Å; L118-C126 HydrophobicContact CB-CB 3.71Å; L118-G127 PolarHBondContact N-O 3.33Å; L118-I129 HydrophobicContact CD2-CB 4.03Å; L118-I129 HydrophobicContact CD2-CG2 4.02Å; L118-I129 HydrophobicContact CG-CB 4.38Å
119K96.3Very high91.8Very high139 Ų13960.2 Ų60.260%0.60434%0.337SS*.BIsolated β-bridgetrans-122.4168.4-176.7-61.7-179.3-177175.20110.8G99 N100 G121G99-K119 CarbonylContact C-O 3.53Å; G99-K119 WeakPolarHBondContact CA-O 3.41Å; N100-K119 PolarHBondContact N-O 3.49Å; N100-K119 PolarHBondContact O-N 2.85Å; N100-K119 PolarHBondContact OD1-O 3.5Å; K119-G121 PolarHBondContact O-N 2.73Å
120N95.1Very high91.9Very high128 Ų12861.7 Ų61.768%0.68434%0.344SS*.SBendtrans63.5-1171.7-51.1-49.2000116.5F97 N100F97-N120 HydrophobicContact CE1-CB 4Å; F97-N120 WeakPolarHBondContact CE1-O 3.45Å; F97-N120 HydrophobicContact CZ-CB 4.23Å; N100-N120 PolarHBondContact OD1-ND2 2.74Å
121G91.3Very high92.2Very high17 Ų1760.9 Ų60.918%0.17534%0.339CS..SBendtrans-72.3-172.5175.700000113.1K119 S123 C126K119-G121 PolarHBondContact O-N 2.73Å; G121-S123 PolarHBondContact O-N 3.43Å; G121-C126 WeakPolarHBondContact CA-SG 3.4Å
122P88.6Confident92.2Very high85 Ų8558.8 Ų58.855%0.55232%0.324SS*.SBendtrans-74.8-9.8-170.829.3-34.4000113.9T23 F97T23-P122 HydrophobicContact CG2-CB 4.44Å; T23-P122 HydrophobicContact CG2-CG 3.59Å; F97-P122 WeakPolarHBondContact O-CD 3.47Å
123S86.7Confident92.4Very high55 Ų5558.1 Ų58.139%0.38532%0.317SS..SBendtrans-126.6156.6-177.7174.10000110.4G121 D125 C126G121-S123 PolarHBondContact O-N 3.43Å; S123-D125 WeakPolarHBondContact CB-O 3.48Å; S123-D125 PolarHBondContact O-N 3.25Å; S123-D125 PolarHBondContact OG-N 2.83Å; S123-D125 PolarHBondContact OG-O 3.43Å; S123-D125 VanDerWaalsContact OG-O 3.07Å; S123-C126 PolarHBondContact O-SG 2.83Å
124N85Confident92.1Very high182 Ų18255.1 Ų55.197%0.97331%0.305SS*.SBendtrans-68.4-22.6168.2-71.6-23.9000112.3
125D89.4Confident91.6Very high108 Ų10855.7 Ų55.758%0.57831%0.307SS*.  trans-11492.7172.3-171.28.9000108.6S123 G127S123-D125 WeakPolarHBondContact CB-O 3.48Å; S123-D125 PolarHBondContact O-N 3.25Å; S123-D125 PolarHBondContact OG-N 2.83Å; S123-D125 PolarHBondContact OG-O 3.43Å; S123-D125 VanDerWaalsContact OG-O 3.07Å; D125-G127 VanDerWaalsContact C-N 3.31Å; D125-G127 PolarHBondContact OD1-N 3.33Å
126C93.1Very high90.8Very high3 Ų354.8 Ų54.82%0.0230%0.299CS..  trans-89.81.5178.8-68.60000112.6L98 L118 G121 S123L98-C126 WeakPolarHBondContact O-CB 3.31Å; L98-C126 PolarHBondContact O-SG 3.46Å; L118-C126 HydrophobicContact CB-CB 3.71Å; G121-C126 WeakPolarHBondContact CA-SG 3.4Å; S123-C126 PolarHBondContact O-SG 2.83Å
127G95Very high89.3Confident3 Ų356 Ų563%0.03132%0.315CS..  trans82.5-162.8-168.800000113.4R18 N19 L118 D125R18-G127 CarbonylContact O-C 3.57Å; R18-G127 VanDerWaalsContact O-CA 3.32Å; R18-G127 WeakPolarHBondContact O-CA 3.23Å; N19-G127 WeakPolarHBondContact O-CA 3.37Å; N19-G127 PolarHBondContact O-N 3.04Å; L118-G127 PolarHBondContact N-O 3.33Å; D125-G127 VanDerWaalsContact C-N 3.31Å; D125-G127 PolarHBondContact OD1-N 3.33Å
128S96Very high87.6Confident20 Ų2052 Ų5214%0.1430%0.298CS..EExtended strand (participates in β ladder)trans-134.2155.1-176.558.30000111.4C17 R18 K116C17-S128 CarbonylContact C-O 3.56Å; C17-S128 VanDerWaalsContact CA-O 3.26Å; C17-S128 WeakPolarHBondContact CA-O 3.45Å; R18-S128 PolarHBondContact N-O 3.25Å; R18-S128 PolarHBondContact O-N 3.13Å; R18-S128 PolarHBondContact O-OG 2.94Å; K116-S128 CarbonylContact O-C 3.59Å; K116-S128 VanDerWaalsContact O-CA 3.26Å; K116-S128 WeakPolarHBondContact O-CA 3.46Å; K116-S128 WeakPolarHBondContact O-CB 3.4Å
129I96.8Very high86.3Confident0 Ų053.1 Ų53.10%031%0.306CS..EExtended strand (participates in β ladder)trans-114.3142.7171.5-166.5171.7000108.9I15 A16 V33 F80 C101 S115 K116 L118 I131I15-I129 HydrophobicContact CG2-CD1 3.87Å; I15-I129 HydrophobicContact CG2-CG1 4.03Å; A16-I129 CarbonylContact O-C 3.56Å; A16-I129 WeakPolarHBondContact O-CA 3.42Å; A16-I129 WeakPolarHBondContact O-CG1 3.37Å; V33-I129 HydrophobicContact CG1-CD1 4.34Å; F80-I129 HydrophobicContact CB-CD1 3.6Å; F80-I129 HydrophobicContact CD1-CD1 4.12Å; F80-I129 HydrophobicContact CG-CD1 4.06Å; C101-I129 HydrophobicContact CB-CG2 3.75Å; S115-I129 CarbonylContact C-O 3.54Å; S115-I129 WeakPolarHBondContact CA-O 3.24Å; K116-I129 HydrophobicContact CB-CG2 4.29Å; K116-I129 PolarHBondContact N-O 3.47Å; K116-I129 PolarHBondContact O-N 3.36Å; L118-I129 HydrophobicContact CD2-CB 4.03Å; L118-I129 HydrophobicContact CD2-CG2 4.02Å; L118-I129 HydrophobicContact CG-CB 4.38Å; I129-I131 HydrophobicContact CD1-CD1 4.38Å; I129-I131 HydrophobicContact CD1-CG1 4.27Å; I129-I131 HydrophobicContact CG1-CD1 4.5Å; I129-I131 HydrophobicContact CG1-CG1 4.1Å; I129-I131 HydrophobicContact CG2-CD1 4.37Å
130I92.5Very high85.3Confident30 Ų3050.3 Ų50.315%0.15429%0.294CS..EExtended strand (participates in β ladder)trans-119.7126.9176.3-58.5170.6000106A16 R18 K113 I114A16-I130 HydrophobicContact CB-CB 4.26Å; A16-I130 PolarHBondContact N-O 3.4Å; A16-I130 PolarHBondContact O-N 3.34Å; R18-I130 HydrophobicContact CG-CD1 3.83Å; K113-I130 HydrophobicContact CD-CG2 4.34Å; K113-I130 HydrophobicContact CG-CG2 4.18Å; I114-I130 WeakPolarHBondContact O-CA 3.45Å
131I93.8Very high85Confident0 Ų045.5 Ų45.50%027%0.268CS..EExtended strand (participates in β ladder)trans-128.7126.3-178.6-54153.9000106.7L13 S14 F80 T103 I108 K113 I114 I129L13-I131 HydrophobicContact CB-CG2 4.48Å; S14-I131 WeakPolarHBondContact O-CA 3.36Å; F80-I131 HydrophobicContact CD1-CD1 3.98Å; F80-I131 HydrophobicContact CD1-CG1 4.29Å; F80-I131 HydrophobicContact CD2-CD1 3.61Å; F80-I131 HydrophobicContact CE1-CD1 3.88Å; F80-I131 HydrophobicContact CE1-CG1 4.09Å; F80-I131 HydrophobicContact CE1-CG2 4.2Å; F80-I131 HydrophobicContact CE2-CD1 3.51Å; F80-I131 HydrophobicContact CG-CD1 3.86Å; F80-I131 HydrophobicContact CZ-CD1 3.65Å; F80-I131 HydrophobicContact CZ-CG1 4.22Å; F80-I131 HydrophobicContact CZ-CG2 4.04Å; T103-I131 HydrophobicContact CG2-CD1 4.41Å; I108-I131 HydrophobicContact CD1-CG2 3.96Å; I108-I131 HydrophobicContact CG1-CG2 4.33Å; I108-I131 HydrophobicContact CG2-CB 4.44Å; I108-I131 HydrophobicContact CG2-CG2 3.78Å; K113-I131 CarbonylContact C-O 3.12Å; K113-I131 WeakPolarHBondContact CA-O 3.36Å; I114-I131 HydrophobicContact CD1-CD1 4.28Å; I114-I131 HydrophobicContact CG1-CB 4.1Å; I114-I131 HydrophobicContact CG1-CD1 4.49Å; I114-I131 PolarHBondContact N-O 3.22Å; I114-I131 PolarHBondContact O-N 3.03Å; I129-I131 HydrophobicContact CD1-CD1 4.38Å; I129-I131 HydrophobicContact CD1-CG1 4.27Å; I129-I131 HydrophobicContact CG1-CD1 4.5Å; I129-I131 HydrophobicContact CG1-CG1 4.1Å; I129-I131 HydrophobicContact CG2-CD1 4.37Å
132S88.6Confident85Confident25 Ų2546.3 Ų46.318%0.17527%0.267CS..EExtended strand (participates in β ladder)trans-119140.8170.160.10000110.8L13 S14 G112L13-S132 CarbonylContact C-O 3.57Å; L13-S132 VanDerWaalsContact CA-O 3.3Å; L13-S132 WeakPolarHBondContact CA-O 3.36Å; S14-S132 WeakPolarHBondContact CB-OG 3.34Å; S14-S132 PolarHBondContact N-O 2.79Å; S14-S132 PolarHBondContact O-N 3.19Å; G112-S132 CarbonylContact O-C 3.59Å; G112-S132 WeakPolarHBondContact O-CA 3.45Å; G112-S132 VanDerWaalsContact O-CB 3.3Å; G112-S132 WeakPolarHBondContact O-CB 3.25Å
133A87.7Confident85.3Confident2 Ų242.2 Ų42.22%0.01724%0.241CC..EExtended strand (participates in β ladder)trans-111.5126.7175.800000109.7E12 L13 I108 G112 Q287E12-A133 WeakPolarHBondContact O-CA 3.06Å; L13-A133 HydrophobicContact CD2-CB 3.63Å; I108-A133 HydrophobicContact CB-CB 4.5Å; I108-A133 HydrophobicContact CG2-CB 3.61Å; G112-A133 PolarHBondContact O-N 3Å; A133-Q287 PolarHBondContact O-NE2 2.73Å
134E79.4Confident85.8Confident72 Ų7239.9 Ų39.934%0.33622%0.224SC..EExtended strand (participates in β ladder)trans-116.1134.7169.6-69.7177.9-166.300108.5V11 E12 V136V11-E134 CarbonylContact C-O 3.58Å; V11-E134 VanDerWaalsContact CA-O 3.31Å; V11-E134 WeakPolarHBondContact CA-O 3.41Å; E12-E134 PolarHBondContact N-O 2.97Å; E12-E134 PolarHBondContact O-N 2.85Å; E134-V136 PolarHBondContact O-N 3.45Å
135E82.5Confident86.3Confident26 Ų2631.2 Ų31.212%0.12118%0.178CC..EExtended strand (participates in β ladder)trans-63.1129.4167.9-171.7175.4-173.100108T9 S137 K140 S281T9-E135 WeakPolarHBondContact CB-OE1 3.41Å; T9-E135 HydrophobicContact CG2-CG 3.94Å; T9-E135 VanDerWaalsContact OG1-CD 3.29Å; T9-E135 WeakPolarHBondContact OG1-CG 2.81Å; T9-E135 PolarHBondContact OG1-OE1 2.78Å; E135-S137 PolarHBondContact O-N 3.04Å; E135-K140 IonicContact OE1-NZ 2.89Å; E135-K140 PolarHBondContact OE1-NZ 3.37Å; E135-K140 IonicContact OE2-NZ 2.68Å; E135-S281 WeakPolarHBondContact OE2-CB 3.24Å; E135-S281 PolarHBondContact OE2-OG 3.47Å
136V76.7Confident86.7Confident59 Ų5928.3 Ų28.336%0.35816%0.162SC..  trans-71.678.3171.6-176.10000106.7T10 E12 E134 S138T10-V136 HydrophobicContact CG2-CB 4.11Å; T10-V136 HydrophobicContact CG2-CG2 3.87Å; T10-V136 WeakPolarHBondContact O-CB 3.3Å; T10-V136 PolarHBondContact O-N 2.84Å; E12-V136 HydrophobicContact CB-CG2 3.94Å; E12-V136 HydrophobicContact CG-CG2 3.51Å; E134-V136 PolarHBondContact O-N 3.45Å; V136-S138 PolarHBondContact O-N 2.74Å; V136-S138 VanDerWaalsContact O-N 3.17Å
137S66.6Low87Confident92 Ų9228.2 Ų28.264%0.64316%0.161SC*.  trans-68.3120.2-171.883.10000109.1E135E135-S137 PolarHBondContact O-N 3.04Å
138S61.6Low87.1Confident39 Ų3928 Ų2827%0.27316%0.16SC..  trans-86.1126.7146.365.20000106.3V136 K140 R201V136-S138 PolarHBondContact O-N 2.74Å; V136-S138 VanDerWaalsContact O-N 3.17Å; S138-K140 PolarHBondContact O-N 2.88Å; S138-K140 VanDerWaalsContact O-N 3.08Å; S138-R201 WeakPolarHBondContact OG-CD 3.35Å; S138-R201 PolarHBondContact OG-NH1 2.89Å
139C68.8Low87.3Confident30 Ų3027.1 Ų27.120%0.20315%0.153CC..  trans-30.2115.3170.8171.40000112.1H208C139-H208 PolarHBondContact SG-NE2 3.08Å
140K76.1Confident87.3Confident81 Ų8131 Ų3135%0.35217%0.168SC..  trans-94.3-1.2177.6-71.6-178.6174.1172.40112.4E135 S138 V279E135-K140 IonicContact OE1-NZ 2.89Å; E135-K140 PolarHBondContact OE1-NZ 3.37Å; E135-K140 IonicContact OE2-NZ 2.68Å; S138-K140 PolarHBondContact O-N 2.88Å; S138-K140 VanDerWaalsContact O-N 3.08Å; K140-V279 HydrophobicContact CB-CB 4.22Å; K140-V279 WeakPolarHBondContact CB-O 3.35Å; K140-V279 WeakPolarHBondContact O-CB 3.47Å; K140-V279 WeakPolarHBondContact O-CG2 3.12Å
141D88.9Confident87.6Confident26 Ų2634.2 Ų34.214%0.13919%0.189CC..  trans-56.3143.9-176.8-65.612.2000111.7L200 H208 I276 E277 K278D141-L200 HydrophobicContact CB-CB 4.45Å; D141-L200 HydrophobicContact CB-CD1 3.79Å; D141-L200 HydrophobicContact CB-CG 4.36Å; D141-L200 WeakPolarHBondContact O-CB 3.25Å; D141-L200 PolarHBondContact O-N 3.4Å; D141-H208 IonicContact OD2-CE1 3.01Å; D141-H208 PolarHBondContact OD2-CE1 3.12Å; D141-H208 IonicContact OD2-NE2 2.83Å; D141-H208 PolarHBondContact OD2-NE2 3.41Å; D141-I276 HydrophobicContact CB-CG2 4.32Å; D141-E277 CarbonylContact C-O 3.49Å; D141-E277 VanDerWaalsContact CA-O 3.29Å; D141-E277 WeakPolarHBondContact CA-O 3.44Å; D141-K278 WeakPolarHBondContact OD1-CA 3.24Å; D141-K278 WeakPolarHBondContact OD1-CG 3.14Å
142E91.4Very high87.8Confident34 Ų3434.4 Ų34.416%0.15919%0.19CC..EExtended strand (participates in β ladder)trans-115.5135.9-179.9-74.7179.1172.300110.3I197 I276 E277 V279 R523E142-I197 HydrophobicContact CB-CG2 3.9Å; E142-I197 HydrophobicContact CG-CG2 4.09Å; E142-I197 VanDerWaalsContact OE2-CG2 3.22Å; E142-I197 WeakPolarHBondContact OE2-CG2 3.18Å; E142-I276 WeakPolarHBondContact O-CA 3.45Å; E142-E277 PolarHBondContact N-O 3.34Å; E142-E277 PolarHBondContact O-N 3.28Å; E142-V279 HydrophobicContact CB-CG2 4.12Å; E142-V279 HydrophobicContact CG-CG2 3.71Å; E142-R523 IonicContact OE1-NH1 2.73Å; E142-R523 IonicContact OE2-CZ 3.4Å; E142-R523 IonicContact OE2-NH1 2.88Å; E142-R523 PolarHBondContact OE2-NH1 2.81Å; E142-R523 IonicContact OE2-NH2 2.81Å; E142-R523 PolarHBondContact OE2-NH2 3.46Å
143L94.5Very high88.1Confident0 Ų035.1 Ų35.10%019%0.192CC..EExtended strand (participates in β ladder)trans-97.7113.8171.517764.6000109.3L145 I197 V198 L200 L203 L238 V274 I276L143-L145 HydrophobicContact CD1-CD2 4.11Å; L143-L145 HydrophobicContact CD1-CG 4.2Å; L143-L145 HydrophobicContact CD2-CD1 3.61Å; L143-L145 HydrophobicContact CD2-CD2 4.29Å; L143-L145 HydrophobicContact CD2-CG 3.93Å; L143-L145 HydrophobicContact CG-CD1 4.01Å; L143-L145 HydrophobicContact CG-CD2 4.22Å; L143-L145 HydrophobicContact CG-CG 3.79Å; L143-I197 WeakPolarHBondContact O-CA 3.45Å; L143-V198 PolarHBondContact N-O 2.57Å; L143-V198 PolarHBondContact O-N 2.69Å; L143-L200 HydrophobicContact CB-CD2 3.66Å; L143-L200 HydrophobicContact CB-CG 4.22Å; L143-L200 HydrophobicContact CD2-CD2 4.36Å; L143-L203 HydrophobicContact CD2-CD2 3.5Å; L143-L203 VanDerWaalsContact CD2-CD2 3.5Å; L143-L238 HydrophobicContact CD2-CD1 4.38Å; L143-V274 HydrophobicContact CD1-CG1 3.99Å; L143-I276 HydrophobicContact CD1-CG1 3.77Å
144T96.6Very high88.4Confident5 Ų540.2 Ų40.23%0.03121%0.214CC..EExtended strand (participates in β ladder)trans-90.9122.1169.6-61.60000109.7Q195 M196 I197 L273 R275T144-Q195 HydrophobicContact CG2-CG 4.05Å; T144-M196 CarbonylContact C-O 3.59Å; T144-M196 WeakPolarHBondContact CA-O 3.41Å; T144-I197 HydrophobicContact CG2-CG1 4.46Å; T144-L273 HydrophobicContact CG2-CD2 3.85Å; T144-R275 PolarHBondContact N-O 3.02Å; T144-R275 PolarHBondContact O-N 3.11Å
145L97Very high89Confident0 Ų039.6 Ų39.60%021%0.21CC..EExtended strand (participates in β ladder)trans-126.2130.3179.1-70.5169.2000111.1L143 I147 F167 Q195 M196 L238 L273 V274L143-L145 HydrophobicContact CD1-CD2 4.11Å; L143-L145 HydrophobicContact CD1-CG 4.2Å; L143-L145 HydrophobicContact CD2-CD1 3.61Å; L143-L145 HydrophobicContact CD2-CD2 4.29Å; L143-L145 HydrophobicContact CD2-CG 3.93Å; L143-L145 HydrophobicContact CG-CD1 4.01Å; L143-L145 HydrophobicContact CG-CD2 4.22Å; L143-L145 HydrophobicContact CG-CG 3.79Å; L145-I147 HydrophobicContact CB-CD1 4.09Å; L145-I147 HydrophobicContact CB-CG1 4.14Å; L145-I147 HydrophobicContact CD1-CD1 3.98Å; L145-I147 HydrophobicContact CD2-CD1 4.25Å; L145-I147 HydrophobicContact CG-CD1 4.32Å; L145-F167 HydrophobicContact CD1-CE1 3.75Å; L145-F167 HydrophobicContact CD1-CZ 4.07Å; L145-Q195 WeakPolarHBondContact O-CA 3.5Å; L145-M196 HydrophobicContact CB-CE 4.45Å; L145-M196 HydrophobicContact CB-CG 3.76Å; L145-M196 HydrophobicContact CB-SD 4.22Å; L145-M196 PolarHBondContact N-O 3.1Å; L145-M196 PolarHBondContact O-N 3.46Å; L145-L238 HydrophobicContact CD2-CD1 4.33Å; L145-L273 WeakPolarHBondContact CA-O 3.46Å; L145-V274 HydrophobicContact CD2-CB 4.27Å; L145-V274 HydrophobicContact CD2-CG1 3.98Å; L145-V274 HydrophobicContact CD2-CG2 3.84Å
146D98.1Very high89.2Confident47 Ų4740 Ų4025%0.25121%0.213SC..EExtended strand (participates in β ladder)trans-114.1118.3158.5-178.7-12.3000107.1Q195 N272 L273D146-Q195 HydrophobicContact CB-CG 4.5Å; D146-N272 HydrophobicContact CB-CB 3.85Å; D146-N272 VanDerWaalsContact CG-CB 3.45Å; D146-N272 WeakPolarHBondContact O-CB 3.26Å; D146-N272 PolarHBondContact O-N 3.23Å; D146-N272 PolarHBondContact OD1-ND2 2.92Å; D146-L273 HydrophobicContact CB-CB 3.67Å; D146-L273 PolarHBondContact N-O 2.87Å; D146-L273 PolarHBondContact O-N 3.22Å; D146-L273 VanDerWaalsContact O-N 3.16Å
147I97.9Very high89.5Confident1 Ų144.2 Ų44.21%0.00523%0.232CC..EExtended strand (participates in β ladder)trans-130.9141.8-173.9-59.7178.6000108.7L145 L165 F167 W193 L269 H270 L271L145-I147 HydrophobicContact CB-CD1 4.09Å; L145-I147 HydrophobicContact CB-CG1 4.14Å; L145-I147 HydrophobicContact CD1-CD1 3.98Å; L145-I147 HydrophobicContact CD2-CD1 4.25Å; L145-I147 HydrophobicContact CG-CD1 4.32Å; I147-L165 HydrophobicContact CB-CD1 4.3Å; I147-L165 HydrophobicContact CG2-CD1 3.94Å; I147-F167 HydrophobicContact CD1-CZ 4.29Å; I147-W193 HydrophobicContact CG2-CE3 4.21Å; I147-W193 HydrophobicContact CG2-CZ3 4.19Å; I147-W193 PolarHBondContact O-N 3Å; I147-L269 HydrophobicContact CG2-CB 4.08Å; I147-L269 HydrophobicContact CG2-CD2 4.19Å; I147-L269 HydrophobicContact CG2-CG 4.49Å; I147-H270 WeakPolarHBondContact CA-O 3.3Å; I147-L271 HydrophobicContact CD1-CD2 4.14Å; I147-L271 HydrophobicContact CG1-CD2 4.02Å
148S98.5Very high90.3Very high0 Ų049 Ų490%024%0.242CC..EExtended strand (participates in β ladder)trans-130.9151.9170.961.60000111.6R150 P191 N192 L269 H270 N272S148-R150 PolarHBondContact OG-NH1 3.01Å; S148-R150 PolarHBondContact OG-NH2 3.26Å; S148-R150 VanDerWaalsContact OG-NH2 3.16Å; S148-P191 CarbonylContact C-O 3.6Å; S148-P191 VanDerWaalsContact CA-O 3.28Å; S148-P191 WeakPolarHBondContact CA-O 3.27Å; S148-P191 VanDerWaalsContact CB-O 3.26Å; S148-P191 WeakPolarHBondContact CB-O 3.41Å; S148-N192 WeakPolarHBondContact CB-OD1 3.47Å; S148-L269 CarbonylContact O-C 3.37Å; S148-L269 WeakPolarHBondContact O-CA 3.31Å; S148-H270 PolarHBondContact N-O 2.94Å; S148-H270 PolarHBondContact O-N 3.09Å; S148-N272 PolarHBondContact OG-ND2 3.14Å
149G98.5Very high91.5Very high0 Ų048.9 Ų48.90%025%0.246CC..EExtended strand (participates in β ladder)trans-94146.317400000110.1N190 P191 T268G149-N190 CarbonylContact O-C 3.54Å; G149-N190 WeakPolarHBondContact O-CA 3.33Å; G149-P191 PolarHBondContact N-O 3.19Å; G149-T268 CarbonylContact C-O 3.56Å; G149-T268 WeakPolarHBondContact CA-O 3.4Å
150R98.3Very high92.7Very high82 Ų8249 Ų4931%0.30925%0.248SC..EExtended strand (participates in β ladder)trans-132.9139.5172.7-61.8-66.7177.1-101.1-0.6110.4S148 L152 N190 N192 G267 T268 H270S148-R150 PolarHBondContact OG-NH1 3.01Å; S148-R150 PolarHBondContact OG-NH2 3.26Å; S148-R150 VanDerWaalsContact OG-NH2 3.16Å; R150-L152 PolarHBondContact O-N 2.81Å; R150-N190 WeakPolarHBondContact CA-OD1 3.49Å; R150-N192 PolarHBondContact NH1-OD1 3.4Å; R150-N192 PolarHBondContact NH2-OD1 3.39Å; R150-N192 VanDerWaalsContact NH2-OD1 3.15Å; R150-G267 WeakPolarHBondContact O-CA 3.33Å; R150-T268 PolarHBondContact N-O 3.48Å; R150-T268 PolarHBondContact O-N 3.32Å; R150-H270 HydrophobicContact CG-CB 4.42Å
151T97.3Very high93.6Very high98 Ų9845.2 Ų45.260%0.60123%0.231SC*.SBendtrans47.840.6175.256.20000113.1L189 N190 G267T151-L189 PolarHBondContact N-O 3.21Å; T151-N190 PolarHBondContact N-OD1 3.48Å; T151-G267 WeakPolarHBondContact O-CA 3.47Å
152L98.1Very high93.8Very high4 Ų445.2 Ų45.22%0.02123%0.231CC..PPolyproline II helixtrans-62.8149.4-179.4-59.7-179.4000110.9R150 K154 P163 L189 P191 I228 L251R150-L152 PolarHBondContact O-N 2.81Å; L152-K154 PolarHBondContact O-N 3Å; L152-P163 HydrophobicContact CD1-CB 3.77Å; L152-P163 HydrophobicContact CD1-CG 3.97Å; L152-L189 HydrophobicContact CB-CB 4.29Å; L152-L189 WeakPolarHBondContact CG-O 3.37Å; L152-L189 PolarHBondContact N-O 3.31Å; L152-L189 WeakPolarHBondContact O-CD1 3.41Å; L152-L189 WeakPolarHBondContact O-CD2 3.43Å; L152-P191 VanDerWaalsContact CD1-CD 3.46Å; L152-P191 HydrophobicContact CD1-CG 3.62Å; L152-I228 HydrophobicContact CB-CG2 4.33Å; L152-I228 HydrophobicContact CD1-CD1 4.45Å; L152-L251 HydrophobicContact CD2-CD1 3.49Å; L152-L251 VanDerWaalsContact CD2-CD1 3.49Å
153D96.4Very high94.1Very high40 Ų4043.6 Ų43.621%0.21422%0.224CC..PPolyproline II helixtrans-64.5135.4173.4-85.9-26.7000112S161 I228 K256 S266D153-S161 PolarHBondContact O-OG 3.19Å; D153-I228 HydrophobicContact CB-CG2 4.17Å; D153-K256 IonicContact OD1-NZ 3.82Å; D153-K256 IonicContact OD2-NZ 3.86Å; D153-K256 PolarHBondContact OD2-NZ 3.18Å; D153-S266 PolarHBondContact N-O 3.15Å; D153-S266 WeakPolarHBondContact OD2-CA 3.35Å; D153-S266 WeakPolarHBondContact OD2-CB 3.35Å; D153-S266 PolarHBondContact OD2-OG 2.79Å; D153-S266 VanDerWaalsContact OD2-OG 3.06Å
154K93.8Very high94.2Very high108 Ų10843.9 Ų43.947%0.4723%0.225SC..PPolyproline II helixtrans-71128.7169.8179.1172.7160.9159.50110.8L152 D156 G159 S161 L189L152-K154 PolarHBondContact O-N 3Å; K154-D156 WeakPolarHBondContact CE-O 3.23Å; K154-G159 VanDerWaalsContact CD-O 3.23Å; K154-G159 WeakPolarHBondContact CD-O 3.35Å; K154-G159 WeakPolarHBondContact CE-O 3.44Å; K154-G159 PolarHBondContact NZ-O 3.1Å; K154-S161 VanDerWaalsContact CA-OG 3.32Å; K154-S161 WeakPolarHBondContact CA-OG 3.38Å; K154-L189 HydrophobicContact CB-CD1 4.37Å; K154-L189 HydrophobicContact CB-CD2 4.25Å
155K91.3Very high94.2Very high60 Ų6043.6 Ų43.626%0.26122%0.223SC..  trans-112.2-27.1177.6-65.8-62.5-173.11700113.8S161 D218 S226 L227 I228K155-S161 PolarHBondContact N-OG 3.24Å; K155-D218 HydrophobicContact CB-CB 3.83Å; K155-D218 VanDerWaalsContact CB-OD2 3.23Å; K155-D218 WeakPolarHBondContact CB-OD2 3.42Å; K155-D218 HydrophobicContact CG-CB 3.81Å; K155-S226 WeakPolarHBondContact CB-OG 3.18Å; K155-S226 WeakPolarHBondContact CG-OG 3.37Å; K155-L227 WeakPolarHBondContact CE-O 3.45Å; K155-L227 PolarHBondContact NZ-O 2.81Å; K155-I228 HydrophobicContact CG-CG1 3.93Å
156D86Confident94.1Very high35 Ų3543.6 Ų43.619%0.18722%0.223CC..  trans-80150.3176.9-71.7-52.4000114K154 N220K154-D156 WeakPolarHBondContact CE-O 3.23Å; D156-N220 PolarHBondContact OD1-OD1 3.33Å
157I84.2Confident93.9Very high147 Ų14741.4 Ų41.475%0.75421%0.211SC*.SBendtrans-75.8-40.4176.5-60174.2000110.3
158F83.7Confident93.4Very high193 Ų19343.5 Ų43.585%0.84622%0.219SC*.SBendtrans-117118.6176.8-60.5-79.3000109.7
159G87Confident92.7Very high35 Ų3545.6 Ų45.636%0.36123%0.227SC..SBendtrans96.4-171.9-175.500000114K154 N187K154-G159 VanDerWaalsContact CD-O 3.23Å; K154-G159 WeakPolarHBondContact CD-O 3.35Å; K154-G159 WeakPolarHBondContact CE-O 3.44Å; K154-G159 PolarHBondContact NZ-O 3.1Å; G159-N187 WeakPolarHBondContact CA-OD1 3.28Å
160S92.6Very high92.1Very high34 Ų3446.9 Ų46.924%0.23824%0.235CC..SBendtrans-95.1166168.3-72.10000109.5N187S160-N187 PolarHBondContact N-OD1 2.81Å
161S95.2Very high91.1Very high0 Ų044.7 Ų44.70%023%0.229CC..  trans-56.6159.8175.9-50.70000112.7D153 K154 K155 P163 N187 T188 D218D153-S161 PolarHBondContact O-OG 3.19Å; K154-S161 VanDerWaalsContact CA-OG 3.32Å; K154-S161 WeakPolarHBondContact CA-OG 3.38Å; K155-S161 PolarHBondContact N-OG 3.24Å; S161-P163 WeakPolarHBondContact O-CD 3.23Å; S161-N187 WeakPolarHBondContact O-CA 3.21Å; S161-N187 PolarHBondContact O-N 2.88Å; S161-T188 PolarHBondContact O-N 3.18Å; S161-T188 VanDerWaalsContact O-O 3.12Å; S161-D218 VanDerWaalsContact CA-OD1 3.23Å; S161-D218 WeakPolarHBondContact CA-OD1 3.49Å; S161-D218 VanDerWaalsContact CB-OD1 3.23Å; S161-D218 WeakPolarHBondContact CB-OD1 3.41Å
162D94.4Very high89.9Confident27 Ų2748.7 Ų48.714%0.14424%0.241CC..  trans-106.871.6171.8-70.4-26.7000110.2V184 I185 R186 N187 D218 W219D162-V184 HydrophobicContact CB-CG1 3.97Å; D162-I185 CarbonylContact C-O 3.37Å; D162-I185 WeakPolarHBondContact CA-O 3.37Å; D162-R186 WeakPolarHBondContact OD1-CA 3.48Å; D162-R186 WeakPolarHBondContact OD1-CB 3.37Å; D162-N187 PolarHBondContact OD1-N 2.83Å; D162-D218 PolarHBondContact N-OD1 3.34Å; D162-W219 HydrophobicContact CB-CB 4.2Å; D162-W219 WeakPolarHBondContact O-CB 3.22Å; D162-W219 PolarHBondContact O-N 2.94Å
163P97.3Very high88.8Confident0 Ų054.1 Ų54.10%027%0.27CS..EExtended strand (participates in β ladder)trans-75.4142.2-166.931.9-41.3000114.7L152 S161 I185 T188 P191 W193 I217 I228L152-P163 HydrophobicContact CD1-CB 3.77Å; L152-P163 HydrophobicContact CD1-CG 3.97Å; S161-P163 WeakPolarHBondContact O-CD 3.23Å; P163-I185 WeakPolarHBondContact CD-O 3.31Å; P163-I185 PolarHBondContact O-N 3.13Å; P163-I185 VanDerWaalsContact O-N 3.1Å; P163-T188 VanDerWaalsContact CD-O 3.28Å; P163-T188 WeakPolarHBondContact CD-O 3.49Å; P163-T188 HydrophobicContact CG-CG2 3.97Å; P163-T188 WeakPolarHBondContact CG-O 3.43Å; P163-P191 HydrophobicContact CB-CG 4.17Å; P163-P191 HydrophobicContact CG-CB 3.83Å; P163-P191 HydrophobicContact CG-CG 3.57Å; P163-W193 HydrophobicContact CB-CZ2 4.06Å; P163-W193 PolarHBondContact O-NE1 2.84Å; P163-I217 CarbonylContact C-O 3.54Å; P163-I217 WeakPolarHBondContact CA-O 3.47Å; P163-I228 HydrophobicContact CB-CD1 4.06Å
164F95.9Very high88.1Confident5 Ų562.6 Ų62.62%0.02230%0.299CS..EExtended strand (participates in β ladder)trans-135.7165.6162.270.2-81.1000110.7A166 R181 V184 C216 I217 W219 E225F164-A166 HydrophobicContact CE2-CB 4.22Å; F164-R181 HydrophobicContact CE2-CG 4.47Å; F164-V184 HydrophobicContact CB-CG2 4Å; F164-V184 HydrophobicContact CD1-CG2 3.92Å; F164-V184 HydrophobicContact CG-CG2 4.13Å; F164-C216 WeakPolarHBondContact O-CA 3.38Å; F164-I217 HydrophobicContact CD1-CB 4.22Å; F164-I217 VanDerWaalsContact CD1-O 3.23Å; F164-I217 WeakPolarHBondContact CD1-O 3.28Å; F164-I217 HydrophobicContact CE1-CB 3.64Å; F164-I217 HydrophobicContact CE1-CG2 3.55Å; F164-I217 HydrophobicContact CE2-CB 4.09Å; F164-I217 HydrophobicContact CE2-CD1 4.14Å; F164-I217 HydrophobicContact CE2-CG2 4.5Å; F164-I217 HydrophobicContact CZ-CB 3.57Å; F164-I217 HydrophobicContact CZ-CD1 4.05Å; F164-I217 HydrophobicContact CZ-CG1 4.38Å; F164-I217 HydrophobicContact CZ-CG2 3.55Å; F164-I217 PolarHBondContact N-O 3.4Å; F164-I217 PolarHBondContact O-N 3.06Å; F164-W219 HydrophobicContact CD1-CB 4.02Å; F164-W219 HydrophobicContact CE1-CB 4.04Å; F164-E225 HydrophobicContact CE1-CG 4.47Å; F164-E225 HydrophobicContact CZ-CG 4.41Å
165L97.3Very high87.1Confident0 Ų059.7 Ų59.70%029%0.293CS..EExtended strand (participates in β ladder)trans-104.5137.1173.9-59-178.5000110I147 F167 R181 T182 W193 I214 A215 C216 L269I147-L165 HydrophobicContact CB-CD1 4.3Å; I147-L165 HydrophobicContact CG2-CD1 3.94Å; L165-F167 HydrophobicContact CB-CD2 4.49Å; L165-F167 HydrophobicContact CB-CE2 3.92Å; L165-F167 HydrophobicContact CD1-CE2 4.36Å; L165-F167 HydrophobicContact CD1-CZ 4.47Å; L165-R181 CarbonylContact O-C 3.58Å; L165-R181 VanDerWaalsContact O-CA 3.26Å; L165-R181 WeakPolarHBondContact O-CA 3.31Å; L165-T182 HydrophobicContact CB-CG2 3.9Å; L165-T182 HydrophobicContact CD1-CG2 4.4Å; L165-T182 HydrophobicContact CG-CG2 4.4Å; L165-T182 PolarHBondContact N-OG1 3.31Å; L165-T182 PolarHBondContact O-N 3.03Å; L165-W193 HydrophobicContact CD1-CD2 4Å; L165-W193 HydrophobicContact CD1-CE3 3.64Å; L165-W193 HydrophobicContact CD1-CH2 4.23Å; L165-W193 HydrophobicContact CD1-CZ3 3.78Å; L165-W193 HydrophobicContact CD2-CE3 4.45Å; L165-W193 HydrophobicContact CD2-CH2 3.51Å; L165-W193 HydrophobicContact CD2-CZ2 3.78Å; L165-W193 HydrophobicContact CD2-CZ3 3.88Å; L165-W193 HydrophobicContact CG-CD2 3.93Å; L165-W193 HydrophobicContact CG-CE3 3.93Å; L165-W193 HydrophobicContact CG-CH2 3.79Å; L165-W193 HydrophobicContact CG-CZ2 3.77Å; L165-W193 HydrophobicContact CG-CZ3 3.88Å; L165-I214 HydrophobicContact CD1-CG2 4.42Å; L165-I214 HydrophobicContact CD2-CG2 4.36Å; L165-A215 CarbonylContact C-O 3.48Å; L165-A215 WeakPolarHBondContact CA-O 3.49Å; L165-C216 HydrophobicContact CD2-CB 3.94Å; L165-L269 HydrophobicContact CD2-CD1 4.36Å; L165-L269 HydrophobicContact CD2-CD2 3.8Å
166A93.7Very high86.8Confident0 Ų062.2 Ų62.20%030%0.301CS..EExtended strand (participates in β ladder)trans-118.9126.516700000109.4F164 Y168 R181 A215 I217F164-A166 HydrophobicContact CE2-CB 4.22Å; A166-Y168 HydrophobicContact CB-CD2 4.42Å; A166-Y168 HydrophobicContact CB-CE2 3.55Å; A166-R181 HydrophobicContact CB-CG 4.16Å; A166-A215 PolarHBondContact N-O 2.89Å; A166-A215 PolarHBondContact O-N 3.44Å; A166-I217 HydrophobicContact CB-CD1 3.8Å
167F94.7Very high86.4Confident0 Ų062.9 Ų62.90%031%0.306CS..EExtended strand (participates in β ladder)trans-98.2131177-66.7-110.1000108.4L145 I147 L165 V178 V179 Y180 M196 L203 V212 V213 I214L145-F167 HydrophobicContact CD1-CE1 3.75Å; L145-F167 HydrophobicContact CD1-CZ 4.07Å; I147-F167 HydrophobicContact CD1-CZ 4.29Å; L165-F167 HydrophobicContact CB-CD2 4.49Å; L165-F167 HydrophobicContact CB-CE2 3.92Å; L165-F167 HydrophobicContact CD1-CE2 4.36Å; L165-F167 HydrophobicContact CD1-CZ 4.47Å; F167-V178 WeakPolarHBondContact O-CA 3.4Å; F167-V179 HydrophobicContact CB-CG2 4.07Å; F167-V179 WeakPolarHBondContact O-CG2 3.24Å; F167-V179 PolarHBondContact O-N 3.22Å; F167-Y180 AromaticContact CD2-CD1 3.72Å; F167-Y180 HydrophobicContact CD2-CD1 3.72Å; F167-Y180 HydrophobicContact CD2-CG 4.44Å; F167-Y180 AromaticContact CE2-CD1 3.92Å; F167-Y180 HydrophobicContact CE2-CD1 3.92Å; F167-Y180 PolarHBondContact N-O 3.47Å; F167-M196 HydrophobicContact CE2-SD 3.69Å; F167-M196 HydrophobicContact CZ-SD 3.57Å; F167-M196 VanDerWaalsContact CZ-SD 3.57Å; F167-L203 HydrophobicContact CB-CD1 4.06Å; F167-L203 HydrophobicContact CD1-CD1 4Å; F167-L203 HydrophobicContact CG-CD1 4.43Å; F167-V212 HydrophobicContact CD1-CG1 4.37Å; F167-V213 CarbonylContact C-O 3.57Å; F167-V213 WeakPolarHBondContact CA-O 3.33Å; F167-I214 HydrophobicContact CD1-CD1 3.98Å; F167-I214 HydrophobicContact CD1-CG1 3.71Å; F167-I214 HydrophobicContact CE1-CD1 3.48Å; F167-I214 VanDerWaalsContact CE1-CD1 3.48Å; F167-I214 HydrophobicContact CE1-CG1 3.72Å; F167-I214 HydrophobicContact CE1-CG2 4.21Å; F167-I214 HydrophobicContact CE2-CG2 4.43Å; F167-I214 HydrophobicContact CZ-CD1 4.24Å; F167-I214 HydrophobicContact CZ-CG1 4.5Å; F167-I214 HydrophobicContact CZ-CG2 4.17Å
168Y87.6Confident86.4Confident45 Ų4558.4 Ų58.418%0.17629%0.285CS..EExtended strand (participates in β ladder)trans-121.9126.8178.8-58.9-97000110.8A166 R176 T177 V178 V212 V213 A215A166-Y168 HydrophobicContact CB-CD2 4.42Å; A166-Y168 HydrophobicContact CB-CE2 3.55Å; Y168-R176 HydrophobicContact CD1-CB 4.02Å; Y168-R176 HydrophobicContact CG-CB 4.3Å; Y168-T177 CarbonylContact C-O 3.49Å; Y168-T177 WeakPolarHBondContact CA-O 3.36Å; Y168-V178 HydrophobicContact CD1-CB 3.9Å; Y168-V178 HydrophobicContact CE1-CB 3.77Å; Y168-V178 HydrophobicContact CE1-CG2 4.24Å; Y168-V212 WeakPolarHBondContact O-CA 3.23Å; Y168-V213 PolarHBondContact N-O 3.42Å; Y168-V213 PolarHBondContact O-N 2.71Å; Y168-A215 HydrophobicContact CD2-CB 4.42Å; Y168-A215 HydrophobicContact CE2-CB 3.84Å
169R83.7Confident86.3Confident44 Ų4450 Ų5017%0.16625%0.25CS..EExtended strand (participates in β ladder)trans-75.3131.3165.5-176.7178.267.1-144-6.5109.3N171 R176 T177 V179 L203 N205R169-N171 PolarHBondContact NE-OD1 3.21Å; R169-R176 WeakPolarHBondContact O-CA 3.42Å; R169-T177 PolarHBondContact N-O 3.37Å; R169-T177 PolarHBondContact O-N 2.89Å; R169-V179 HydrophobicContact CB-CG1 3.79Å; R169-V179 HydrophobicContact CB-CG2 4.46Å; R169-L203 VanDerWaalsContact CB-O 3.3Å; R169-L203 WeakPolarHBondContact CB-O 3.42Å; R169-L203 WeakPolarHBondContact CG-O 3.46Å; R169-N205 WeakPolarHBondContact CD-OD1 3.43Å; R169-N205 PolarHBondContact NH1-OD1 3.37Å
170V84.7Confident86.4Confident28 Ų2851.8 Ų51.817%0.1725%0.247CC..EExtended strand (participates in β ladder)trans-84.2115.4171.2-176.80000109.3R210 P211 V213V170-R210 PolarHBondContact O-NE 2.67Å; V170-R210 PolarHBondContact O-NH2 3.26Å; V170-P211 HydrophobicContact CB-CB 4.22Å; V170-P211 WeakPolarHBondContact CB-O 3.03Å; V170-P211 HydrophobicContact CG2-CB 4.03Å; V170-P211 WeakPolarHBondContact CG2-O 3.42Å; V170-P211 PolarHBondContact N-O 2.99Å; V170-V213 HydrophobicContact CG2-CG2 4.01Å
171N78.3Confident86.5Confident35 Ų3556 Ų5619%0.18726%0.257CS..  trans-76.5167.4178.3-62.4-29.7000111R169 D173 R174 S175 T177R169-N171 PolarHBondContact NE-OD1 3.21Å; N171-D173 VanDerWaalsContact C-N 3.28Å; N171-D173 VanDerWaalsContact CB-OD1 3.25Å; N171-D173 WeakPolarHBondContact CB-OD1 3.38Å; N171-D173 PolarHBondContact O-N 2.83Å; N171-R174 WeakPolarHBondContact O-CA 3.43Å; N171-R174 PolarHBondContact O-N 3.37Å; N171-S175 WeakPolarHBondContact CB-O 3.29Å; N171-S175 WeakPolarHBondContact CB-OG 3.48Å; N171-S175 PolarHBondContact N-O 2.96Å; N171-S175 PolarHBondContact ND2-OG 3.36Å; N171-T177 PolarHBondContact ND2-OG1 2.9Å; N171-T177 PolarHBondContact OD1-OG1 3.35Å; N171-T177 VanDerWaalsContact OD1-OG1 3.08Å
172E71.8Confident86.5Confident182 Ų18256.8 Ų56.885%0.8526%0.262SS*.THydrogen-bonded Turntrans-63.1-34.3-178-67.7176.5-174.900113R174E172-R174 PolarHBondContact O-N 3.35Å
173D76.2Confident86.5Confident118 Ų11861.9 Ų61.963%0.63128%0.283SS*.THydrogen-bonded Turntrans-75.66.817371-12.4000113.4N171 S175N171-D173 VanDerWaalsContact C-N 3.28Å; N171-D173 VanDerWaalsContact CB-OD1 3.25Å; N171-D173 WeakPolarHBondContact CB-OD1 3.38Å; N171-D173 PolarHBondContact O-N 2.83Å; D173-S175 VanDerWaalsContact CG-OG 3.26Å; D173-S175 PolarHBondContact O-N 3.17Å; D173-S175 WeakPolarHBondContact OD1-CB 3.43Å; D173-S175 PolarHBondContact OD1-N 3.01Å; D173-S175 PolarHBondContact OD1-OG 3.42Å; D173-S175 PolarHBondContact OD2-OG 2.68Å
174R80.5Confident86.3Confident218 Ų21864.5 Ų64.582%0.82330%0.299SS*.SBendtrans66.15.4-174.2-45.6-179.2-140.8-178.23.9115N171 E172N171-R174 WeakPolarHBondContact O-CA 3.43Å; N171-R174 PolarHBondContact O-N 3.37Å; E172-R174 PolarHBondContact O-N 3.35Å
175S73.8Confident86.4Confident48 Ų4866.7 Ų66.734%0.33631%0.31SS..  trans-66.4160.4168.7710000110.4N171 D173N171-S175 WeakPolarHBondContact CB-O 3.29Å; N171-S175 WeakPolarHBondContact CB-OG 3.48Å; N171-S175 PolarHBondContact N-O 2.96Å; N171-S175 PolarHBondContact ND2-OG 3.36Å; D173-S175 VanDerWaalsContact CG-OG 3.26Å; D173-S175 PolarHBondContact O-N 3.17Å; D173-S175 WeakPolarHBondContact OD1-CB 3.43Å; D173-S175 PolarHBondContact OD1-N 3.01Å; D173-S175 PolarHBondContact OD1-OG 3.42Å; D173-S175 PolarHBondContact OD2-OG 2.68Å
176R84.2Confident86.2Confident112 Ų11274.6 Ų74.642%0.42334%0.34SS..EExtended strand (participates in β ladder)trans-114.2123.5-177.4-70.6-178.7-175.2179.4-4109.4Y168 R169 E230Y168-R176 HydrophobicContact CD1-CB 4.02Å; Y168-R176 HydrophobicContact CG-CB 4.3Å; R169-R176 WeakPolarHBondContact O-CA 3.42Å; R176-E230 IonicContact CZ-OE1 2.69Å; R176-E230 IonicContact CZ-OE2 2.85Å; R176-E230 VanDerWaalsContact NH1-CD 3.31Å; R176-E230 IonicContact NH1-OE1 2.59Å; R176-E230 PolarHBondContact NH1-OE1 2.89Å; R176-E230 IonicContact NH1-OE2 3.22Å; R176-E230 PolarHBondContact NH1-OE2 3.44Å; R176-E230 IonicContact NH2-OE1 3.64Å; R176-E230 PolarHBondContact NH2-OE1 3.03Å
177T78.6Confident86.3Confident50 Ų5079.3 Ų79.331%0.30737%0.365SS..EExtended strand (participates in β ladder)trans-100.9126.2171.9-50.40000108.7Y168 R169 N171 V179Y168-T177 CarbonylContact C-O 3.49Å; Y168-T177 WeakPolarHBondContact CA-O 3.36Å; R169-T177 PolarHBondContact N-O 3.37Å; R169-T177 PolarHBondContact O-N 2.89Å; N171-T177 PolarHBondContact ND2-OG1 2.9Å; N171-T177 PolarHBondContact OD1-OG1 3.35Å; N171-T177 VanDerWaalsContact OD1-OG1 3.08Å; T177-V179 HydrophobicContact CG2-CG1 4.39Å; T177-V179 PolarHBondContact O-N 2.87Å
178V82.5Confident86.4Confident52 Ų5280.8 Ų80.832%0.31537%0.374SS..EExtended strand (participates in β ladder)trans-71.6128.3171.763.20000109.8F167 Y168 R181F167-V178 WeakPolarHBondContact O-CA 3.4Å; Y168-V178 HydrophobicContact CD1-CB 3.9Å; Y168-V178 HydrophobicContact CE1-CB 3.77Å; Y168-V178 HydrophobicContact CE1-CG2 4.24Å; V178-R181 HydrophobicContact CG2-CG 4.15Å
179V82.8Confident86.9Confident17 Ų1780.6 Ų80.610%0.10338%0.376CS..EExtended strand (participates in β ladder)trans-122.2-23.5-171.6-68.80000112.7F167 R169 T177 L202 L203F167-V179 HydrophobicContact CB-CG2 4.07Å; F167-V179 WeakPolarHBondContact O-CG2 3.24Å; F167-V179 PolarHBondContact O-N 3.22Å; R169-V179 HydrophobicContact CB-CG1 3.79Å; R169-V179 HydrophobicContact CB-CG2 4.46Å; T177-V179 HydrophobicContact CG2-CG1 4.39Å; T177-V179 PolarHBondContact O-N 2.87Å; V179-L202 HydrophobicContact CB-CD1 4.04Å; V179-L202 HydrophobicContact CB-CG 4.02Å; V179-L202 HydrophobicContact CG1-CD1 4.16Å; V179-L202 VanDerWaalsContact CG1-O 3.23Å; V179-L202 WeakPolarHBondContact CG1-O 3.43Å; V179-L202 WeakPolarHBondContact O-CD2 3.25Å; V179-L203 HydrophobicContact CG2-CD1 3.9Å
180Y89.5Confident87.6Confident73 Ų7382.1 Ų82.129%0.28639%0.387SS..EExtended strand (participates in β ladder)trans-152.6149.6174.7-173.1-95.1000111.2F167 T182 M196 V198F167-Y180 AromaticContact CD2-CD1 3.72Å; F167-Y180 HydrophobicContact CD2-CD1 3.72Å; F167-Y180 HydrophobicContact CD2-CG 4.44Å; F167-Y180 AromaticContact CE2-CD1 3.92Å; F167-Y180 HydrophobicContact CE2-CD1 3.92Å; F167-Y180 PolarHBondContact N-O 3.47Å; Y180-T182 HydrophobicContact CE1-CG2 3.97Å; Y180-M196 HydrophobicContact CD1-SD 4.17Å; Y180-M196 HydrophobicContact CE1-CB 3.89Å; Y180-M196 HydrophobicContact CE1-CG 4.23Å; Y180-M196 HydrophobicContact CE1-SD 3.66Å; Y180-M196 VanDerWaalsContact OH-CB 3.31Å; Y180-M196 WeakPolarHBondContact OH-CB 3.43Å; Y180-V198 HydrophobicContact CD1-CG2 4.25Å; Y180-V198 HydrophobicContact CD2-CG2 3.92Å; Y180-V198 HydrophobicContact CE2-CG2 4.19Å; Y180-V198 HydrophobicContact CG-CG2 3.96Å
181R93.8Very high88.2Confident123 Ų12380.9 Ų80.946%0.46438%0.38SS..EExtended strand (participates in β ladder)trans-137.1138.7171.2-71-173.9176.386.4-4.5110.5F164 L165 A166 V178F164-R181 HydrophobicContact CE2-CG 4.47Å; L165-R181 CarbonylContact O-C 3.58Å; L165-R181 VanDerWaalsContact O-CA 3.26Å; L165-R181 WeakPolarHBondContact O-CA 3.31Å; A166-R181 HydrophobicContact CB-CG 4.16Å; V178-R181 HydrophobicContact CG2-CG 4.15Å
182T95.5Very high89.2Confident16 Ų1683.9 Ų83.910%0.09840%0.396CS..PPolyproline II helixtrans-81166.3171.164.60000111.4L165 Y180 W193 M196L165-T182 HydrophobicContact CB-CG2 3.9Å; L165-T182 HydrophobicContact CD1-CG2 4.4Å; L165-T182 HydrophobicContact CG-CG2 4.4Å; L165-T182 PolarHBondContact N-OG1 3.31Å; L165-T182 PolarHBondContact O-N 3.03Å; Y180-T182 HydrophobicContact CE1-CG2 3.97Å; T182-W193 HydrophobicContact CG2-CB 4.25Å; T182-W193 HydrophobicContact CG2-CG 4.2Å; T182-W193 PolarHBondContact OG1-NE1 3.48Å; T182-M196 HydrophobicContact CG2-CE 3.77Å; T182-M196 HydrophobicContact CG2-SD 4.08Å
183K93.8Very high90.4Very high134 Ų13475.6 Ų75.658%0.58336%0.357SS*.PPolyproline II helixtrans-63.6143.4166.2-68.3173.8-178.1157.40110.4E194K183-E194 IonicContact NZ-OE1 3.38Å; K183-E194 PolarHBondContact NZ-OE1 2.82Å; K183-E194 IonicContact NZ-OE2 2.89Å; K183-E194 PolarHBondContact NZ-OE2 3.48Å
184V94.4Very high91.4Very high55 Ų5576 Ų7633%0.33336%0.355SS..PPolyproline II helixtrans-70131.4172.41800000110D162 F164 W219D162-V184 HydrophobicContact CB-CG1 3.97Å; F164-V184 HydrophobicContact CB-CG2 4Å; F164-V184 HydrophobicContact CD1-CG2 3.92Å; F164-V184 HydrophobicContact CG-CG2 4.13Å; V184-W219 HydrophobicContact CB-CB 4.47Å; V184-W219 HydrophobicContact CG1-CB 3.7Å; V184-W219 HydrophobicContact CG1-CG 4.16Å; V184-W219 HydrophobicContact CG2-CB 3.87Å; V184-W219 HydrophobicContact CG2-CG 3.93Å
185I97Very high92.2Very high51 Ų5171 Ų7126%0.26234%0.341SS..  trans-108.3123.9172.1-55.2-176000108.2D162 P163 T188 P191 N192 W193D162-I185 CarbonylContact C-O 3.37Å; D162-I185 WeakPolarHBondContact CA-O 3.37Å; P163-I185 WeakPolarHBondContact CD-O 3.31Å; P163-I185 PolarHBondContact O-N 3.13Å; P163-I185 VanDerWaalsContact O-N 3.1Å; I185-T188 HydrophobicContact CB-CG2 4.14Å; I185-T188 HydrophobicContact CG2-CG2 3.59Å; I185-P191 HydrophobicContact CB-CB 4.28Å; I185-P191 HydrophobicContact CD1-CB 3.87Å; I185-N192 WeakPolarHBondContact CD1-O 3.39Å; I185-W193 HydrophobicContact CD1-CG 4.26Å
186R94.1Very high93.2Very high166 Ų16668.9 Ų68.963%0.62633%0.326SS*.  trans-82145-171.8-66.3-174.1178.3172.92.2113.4D162 T188D162-R186 WeakPolarHBondContact OD1-CA 3.48Å; D162-R186 WeakPolarHBondContact OD1-CB 3.37Å; R186-T188 PolarHBondContact O-N 3.29Å
187N94.6Very high93.6Very high99 Ų9967.6 Ų67.653%0.52933%0.326SS..SBendtrans50.753.9165.9-172.743.9000112.9G159 S160 S161 D162G159-N187 WeakPolarHBondContact CA-OD1 3.28Å; S160-N187 PolarHBondContact N-OD1 2.81Å; S161-N187 WeakPolarHBondContact O-CA 3.21Å; S161-N187 PolarHBondContact O-N 2.88Å; D162-N187 PolarHBondContact OD1-N 2.83Å
188T97.4Very high94.2Very high31 Ų3165.2 Ų65.219%0.1931%0.312CS..  trans-147.1142179.4-174.30000112.4S161 P163 I185 R186 N190 P191S161-T188 PolarHBondContact O-N 3.18Å; S161-T188 VanDerWaalsContact O-O 3.12Å; P163-T188 VanDerWaalsContact CD-O 3.28Å; P163-T188 WeakPolarHBondContact CD-O 3.49Å; P163-T188 HydrophobicContact CG-CG2 3.97Å; P163-T188 WeakPolarHBondContact CG-O 3.43Å; I185-T188 HydrophobicContact CB-CG2 4.14Å; I185-T188 HydrophobicContact CG2-CG2 3.59Å; R186-T188 PolarHBondContact O-N 3.29Å; T188-N190 PolarHBondContact OG1-N 2.93Å; T188-P191 HydrophobicContact CG2-CB 3.9Å
189L97.8Very high94.4Very high41 Ų4165.4 Ų65.422%0.21531%0.314CS..SBendtrans-102.13.1168.6-53.2-179.4000111.9T151 L152 K154 P191T151-L189 PolarHBondContact N-O 3.21Å; L152-L189 HydrophobicContact CB-CB 4.29Å; L152-L189 WeakPolarHBondContact CG-O 3.37Å; L152-L189 PolarHBondContact N-O 3.31Å; L152-L189 WeakPolarHBondContact O-CD1 3.41Å; L152-L189 WeakPolarHBondContact O-CD2 3.43Å; K154-L189 HydrophobicContact CB-CD1 4.37Å; K154-L189 HydrophobicContact CB-CD2 4.25Å; L189-P191 VanDerWaalsContact C-CD 3.48Å
190N98.4Very high94.7Very high76 Ų7664.6 Ų64.641%0.40631%0.309SS..SBendtrans-134.958.8179.6-55.9-75.7000110.8G149 R150 T151 T188G149-N190 CarbonylContact O-C 3.54Å; G149-N190 WeakPolarHBondContact O-CA 3.33Å; R150-N190 WeakPolarHBondContact CA-OD1 3.49Å; T151-N190 PolarHBondContact N-OD1 3.48Å; T188-N190 PolarHBondContact OG1-N 2.93Å
191P98.2Very high94.5Very high1 Ų168.3 Ų68.31%0.00632%0.323CS..  trans-64.7147.3-179.128.2-36.2000111.9S148 G149 L152 P163 I185 T188 L189 W193S148-P191 CarbonylContact C-O 3.6Å; S148-P191 VanDerWaalsContact CA-O 3.28Å; S148-P191 WeakPolarHBondContact CA-O 3.27Å; S148-P191 VanDerWaalsContact CB-O 3.26Å; S148-P191 WeakPolarHBondContact CB-O 3.41Å; G149-P191 PolarHBondContact N-O 3.19Å; L152-P191 VanDerWaalsContact CD1-CD 3.46Å; L152-P191 HydrophobicContact CD1-CG 3.62Å; P163-P191 HydrophobicContact CB-CG 4.17Å; P163-P191 HydrophobicContact CG-CB 3.83Å; P163-P191 HydrophobicContact CG-CG 3.57Å; I185-P191 HydrophobicContact CB-CB 4.28Å; I185-P191 HydrophobicContact CD1-CB 3.87Å; T188-P191 HydrophobicContact CG2-CB 3.9Å; L189-P191 VanDerWaalsContact C-CD 3.48Å; P191-W193 HydrophobicContact CB-CD2 4.29Å; P191-W193 HydrophobicContact CB-CH2 4.16Å; P191-W193 HydrophobicContact CB-CZ2 3.82Å; P191-W193 HydrophobicContact CG-CD2 4.46Å; P191-W193 HydrophobicContact CG-CE3 4.42Å; P191-W193 HydrophobicContact CG-CH2 3.33Å; P191-W193 HydrophobicContact CG-CZ2 3.36Å; P191-W193 HydrophobicContact CG-CZ3 3.89Å
192N98.1Very high93.8Very high99 Ų9966.2 Ų66.253%0.52932%0.32SS..BIsolated β-bridgetrans-117.5106.9163.2-57.9-54.4000106.6S148 R150 I185S148-N192 WeakPolarHBondContact CB-OD1 3.47Å; R150-N192 PolarHBondContact NH1-OD1 3.4Å; R150-N192 PolarHBondContact NH2-OD1 3.39Å; R150-N192 VanDerWaalsContact NH2-OD1 3.15Å; I185-N192 WeakPolarHBondContact CD1-O 3.39Å
193W98.1Very high93.2Very high8 Ų865.5 Ų65.53%0.0332%0.316CS..PPolyproline II helixtrans-77.6153.5179.6-64.6-77.2000110.3I147 P163 L165 T182 I185 P191 L269I147-W193 HydrophobicContact CG2-CE3 4.21Å; I147-W193 HydrophobicContact CG2-CZ3 4.19Å; I147-W193 PolarHBondContact O-N 3Å; P163-W193 HydrophobicContact CB-CZ2 4.06Å; P163-W193 PolarHBondContact O-NE1 2.84Å; L165-W193 HydrophobicContact CD1-CD2 4Å; L165-W193 HydrophobicContact CD1-CE3 3.64Å; L165-W193 HydrophobicContact CD1-CH2 4.23Å; L165-W193 HydrophobicContact CD1-CZ3 3.78Å; L165-W193 HydrophobicContact CD2-CE3 4.45Å; L165-W193 HydrophobicContact CD2-CH2 3.51Å; L165-W193 HydrophobicContact CD2-CZ2 3.78Å; L165-W193 HydrophobicContact CD2-CZ3 3.88Å; L165-W193 HydrophobicContact CG-CD2 3.93Å; L165-W193 HydrophobicContact CG-CE3 3.93Å; L165-W193 HydrophobicContact CG-CH2 3.79Å; L165-W193 HydrophobicContact CG-CZ2 3.77Å; L165-W193 HydrophobicContact CG-CZ3 3.88Å; T182-W193 HydrophobicContact CG2-CB 4.25Å; T182-W193 HydrophobicContact CG2-CG 4.2Å; T182-W193 PolarHBondContact OG1-NE1 3.48Å; I185-W193 HydrophobicContact CD1-CG 4.26Å; P191-W193 HydrophobicContact CB-CD2 4.29Å; P191-W193 HydrophobicContact CB-CH2 4.16Å; P191-W193 HydrophobicContact CB-CZ2 3.82Å; P191-W193 HydrophobicContact CG-CD2 4.46Å; P191-W193 HydrophobicContact CG-CE3 4.42Å; P191-W193 HydrophobicContact CG-CH2 3.33Å; P191-W193 HydrophobicContact CG-CZ2 3.36Å; P191-W193 HydrophobicContact CG-CZ3 3.89Å; W193-L269 HydrophobicContact CH2-CD2 4.02Å; W193-L269 HydrophobicContact CZ3-CD2 3.85Å
194E96.9Very high92.7Very high126 Ų12659.1 Ų59.159%0.58929%0.288SS*.PPolyproline II helixtrans-59.7143.2171.8-68.1172.3-173.400109.5K183 M196K183-E194 IonicContact NZ-OE1 3.38Å; K183-E194 PolarHBondContact NZ-OE1 2.82Å; K183-E194 IonicContact NZ-OE2 2.89Å; K183-E194 PolarHBondContact NZ-OE2 3.48Å; E194-M196 PolarHBondContact O-N 2.97Å
195Q97.5Very high91.8Very high114 Ų11460.6 Ų60.653%0.53329%0.294SS..PPolyproline II helixtrans-54.5133.6172.5-179.2-176.2-6.700109.5T144 L145 D146T144-Q195 HydrophobicContact CG2-CG 4.05Å; L145-Q195 WeakPolarHBondContact O-CA 3.5Å; D146-Q195 HydrophobicContact CB-CG 4.5Å
196M94.2Very high90.8Very high3 Ų359.1 Ų59.12%0.01529%0.291CS..EExtended strand (participates in β ladder)trans-118.4145.4-178.166.5-154.782.700110.8T144 L145 F167 Y180 T182 E194 V198T144-M196 CarbonylContact C-O 3.59Å; T144-M196 WeakPolarHBondContact CA-O 3.41Å; L145-M196 HydrophobicContact CB-CE 4.45Å; L145-M196 HydrophobicContact CB-CG 3.76Å; L145-M196 HydrophobicContact CB-SD 4.22Å; L145-M196 PolarHBondContact N-O 3.1Å; L145-M196 PolarHBondContact O-N 3.46Å; F167-M196 HydrophobicContact CE2-SD 3.69Å; F167-M196 HydrophobicContact CZ-SD 3.57Å; F167-M196 VanDerWaalsContact CZ-SD 3.57Å; Y180-M196 HydrophobicContact CD1-SD 4.17Å; Y180-M196 HydrophobicContact CE1-CB 3.89Å; Y180-M196 HydrophobicContact CE1-CG 4.23Å; Y180-M196 HydrophobicContact CE1-SD 3.66Å; Y180-M196 VanDerWaalsContact OH-CB 3.31Å; Y180-M196 WeakPolarHBondContact OH-CB 3.43Å; T182-M196 HydrophobicContact CG2-CE 3.77Å; T182-M196 HydrophobicContact CG2-SD 4.08Å; E194-M196 PolarHBondContact O-N 2.97Å; M196-V198 HydrophobicContact CB-CG2 4.43Å; M196-V198 HydrophobicContact CG-CG2 4.17Å
197I92.4Very high90.4Very high84 Ų8455.1 Ų55.143%0.43128%0.282SS..EExtended strand (participates in β ladder)trans-119.1118171.9-58.5176.1000105.8E142 L143 T144E142-I197 HydrophobicContact CB-CG2 3.9Å; E142-I197 HydrophobicContact CG-CG2 4.09Å; E142-I197 VanDerWaalsContact OE2-CG2 3.22Å; E142-I197 WeakPolarHBondContact OE2-CG2 3.18Å; L143-I197 WeakPolarHBondContact O-CA 3.45Å; T144-I197 HydrophobicContact CG2-CG1 4.46Å
198V90.3Very high90.2Very high1 Ų152.2 Ų52.21%0.00627%0.266CS..EExtended strand (participates in β ladder)trans-123.6121.1-175.4-171.60000109.1L143 Y180 M196 L200 L203L143-V198 PolarHBondContact N-O 2.57Å; L143-V198 PolarHBondContact O-N 2.69Å; Y180-V198 HydrophobicContact CD1-CG2 4.25Å; Y180-V198 HydrophobicContact CD2-CG2 3.92Å; Y180-V198 HydrophobicContact CE2-CG2 4.19Å; Y180-V198 HydrophobicContact CG-CG2 3.96Å; M196-V198 HydrophobicContact CB-CG2 4.43Å; M196-V198 HydrophobicContact CG-CG2 4.17Å; V198-L200 PolarHBondContact O-N 3.19Å; V198-L203 HydrophobicContact CG1-CB 4.19Å; V198-L203 HydrophobicContact CG1-CD1 4.36Å
199P87.8Confident90.1Very high55 Ų5555.8 Ų55.836%0.35728%0.283SS..EExtended strand (participates in β ladder)trans-58.6130.4173.1-25.334.8000111.4R201 L202 L203P199-R201 PolarHBondContact O-N 3.46Å; P199-L202 HydrophobicContact CB-CB 4.37Å; P199-L202 WeakPolarHBondContact O-CB 3.41Å; P199-L202 PolarHBondContact O-N 2.97Å; P199-L203 PolarHBondContact O-N 2.95Å
200L89.4Confident89.7Confident0 Ų055.4 Ų55.40%028%0.279CS..Hα-helixtrans-67.4-25.8-179.5-73-175.9000112.4D141 L143 V198 L202 L203 C204 N205 G206 H208 A235 I276D141-L200 HydrophobicContact CB-CB 4.45Å; D141-L200 HydrophobicContact CB-CD1 3.79Å; D141-L200 HydrophobicContact CB-CG 4.36Å; D141-L200 WeakPolarHBondContact O-CB 3.25Å; D141-L200 PolarHBondContact O-N 3.4Å; L143-L200 HydrophobicContact CB-CD2 3.66Å; L143-L200 HydrophobicContact CB-CG 4.22Å; L143-L200 HydrophobicContact CD2-CD2 4.36Å; V198-L200 PolarHBondContact O-N 3.19Å; L200-L202 VanDerWaalsContact C-N 3.29Å; L200-L202 PolarHBondContact O-N 3.41Å; L200-L203 HydrophobicContact CD2-CB 4.3Å; L200-L203 HydrophobicContact CD2-CD2 3.83Å; L200-L203 PolarHBondContact O-N 3.38Å; L200-C204 CarbonylContact O-C 3.56Å; L200-C204 PolarHBondContact O-N 3.17Å; L200-C204 PolarHBondContact O-SG 3.4Å; L200-N205 PolarHBondContact O-N 3.44Å; L200-G206 PolarHBondContact O-N 3.49Å; L200-H208 VanDerWaalsContact CD1-NE2 3.31Å; L200-H208 WeakPolarHBondContact CD1-NE2 3.47Å; L200-A235 HydrophobicContact CD1-CB 4.38Å; L200-A235 HydrophobicContact CD2-CB 3.74Å; L200-I276 HydrophobicContact CD1-CD1 4.36Å; L200-I276 HydrophobicContact CD1-CG2 3.93Å
201R83.8Confident89.4Confident152 Ų15254.7 Ų54.757%0.57428%0.278SS*.Hα-helixtrans-56-44.8166.9-174.4178.3-179.1177.7-6.1112.1S138 P199 N205S138-R201 WeakPolarHBondContact OG-CD 3.35Å; S138-R201 PolarHBondContact OG-NH1 2.89Å; P199-R201 PolarHBondContact O-N 3.46Å; R201-N205 VanDerWaalsContact O-CA 3.23Å; R201-N205 WeakPolarHBondContact O-CA 3.44Å; R201-N205 PolarHBondContact O-N 3.42Å; R201-N205 PolarHBondContact O-OD1 3.42Å
202L79.5Confident89.3Confident78 Ų7854.7 Ų54.741%0.40828%0.279SS..Hα-helixtrans-70.7-44178.517859000110.4V179 P199 L200V179-L202 HydrophobicContact CB-CD1 4.04Å; V179-L202 HydrophobicContact CB-CG 4.02Å; V179-L202 HydrophobicContact CG1-CD1 4.16Å; V179-L202 VanDerWaalsContact CG1-O 3.23Å; V179-L202 WeakPolarHBondContact CG1-O 3.43Å; V179-L202 WeakPolarHBondContact O-CD2 3.25Å; P199-L202 HydrophobicContact CB-CB 4.37Å; P199-L202 WeakPolarHBondContact O-CB 3.41Å; P199-L202 PolarHBondContact O-N 2.97Å; L200-L202 VanDerWaalsContact C-N 3.29Å; L200-L202 PolarHBondContact O-N 3.41Å
203L84.4Confident89.2Confident2 Ų250 Ų501%0.0125%0.254CS..Hα-helixtrans-69.8-42.8-175-167.464.5000113.6L143 F167 R169 V179 V198 P199 L200 V212L143-L203 HydrophobicContact CD2-CD2 3.5Å; L143-L203 VanDerWaalsContact CD2-CD2 3.5Å; F167-L203 HydrophobicContact CB-CD1 4.06Å; F167-L203 HydrophobicContact CD1-CD1 4Å; F167-L203 HydrophobicContact CG-CD1 4.43Å; R169-L203 VanDerWaalsContact CB-O 3.3Å; R169-L203 WeakPolarHBondContact CB-O 3.42Å; R169-L203 WeakPolarHBondContact CG-O 3.46Å; V179-L203 HydrophobicContact CG2-CD1 3.9Å; V198-L203 HydrophobicContact CG1-CB 4.19Å; V198-L203 HydrophobicContact CG1-CD1 4.36Å; P199-L203 PolarHBondContact O-N 2.95Å; L200-L203 HydrophobicContact CD2-CB 4.3Å; L200-L203 HydrophobicContact CD2-CD2 3.83Å; L200-L203 PolarHBondContact O-N 3.38Å; L203-V212 HydrophobicContact CD1-CG1 3.76Å; L203-V212 HydrophobicContact CD1-CG2 4.32Å; L203-V212 HydrophobicContact CD2-CG2 4.3Å; L203-V212 HydrophobicContact CG-CG1 4.19Å; L203-V212 HydrophobicContact CG-CG2 3.84Å
204C82.7Confident89.2Confident0 Ų049.7 Ų49.70%025%0.253CS..Hα-helixtrans-148.516.9-166.361.80000114.4L200 G206 D207 R210 V212L200-C204 CarbonylContact O-C 3.56Å; L200-C204 PolarHBondContact O-N 3.17Å; L200-C204 PolarHBondContact O-SG 3.4Å; C204-G206 PolarHBondContact O-N 2.96Å; C204-D207 VanDerWaalsContact CB-O 3.24Å; C204-D207 WeakPolarHBondContact CB-O 3.44Å; C204-D207 PolarHBondContact O-N 3.16Å; C204-D207 PolarHBondContact SG-O 2.75Å; C204-R210 HydrophobicContact CB-CB 4.08Å; C204-R210 WeakPolarHBondContact O-CD 3.24Å; C204-V212 HydrophobicContact CB-CG2 4.26Å
205N75.1Confident89.2Confident85 Ų8543.8 Ų43.846%0.45523%0.225SC..THydrogen-bonded Turntrans56.526-176.7-65.6-9000113.8R169 L200 R201 D207 R210R169-N205 WeakPolarHBondContact CD-OD1 3.43Å; R169-N205 PolarHBondContact NH1-OD1 3.37Å; L200-N205 PolarHBondContact O-N 3.44Å; R201-N205 VanDerWaalsContact O-CA 3.23Å; R201-N205 WeakPolarHBondContact O-CA 3.44Å; R201-N205 PolarHBondContact O-N 3.42Å; R201-N205 PolarHBondContact O-OD1 3.42Å; N205-D207 VanDerWaalsContact C-N 3.28Å; N205-D207 PolarHBondContact O-N 3.1Å; N205-R210 PolarHBondContact ND2-NH1 3.5Å
206G76.9Confident89.2Confident20 Ų2038.4 Ų38.421%0.20620%0.2CC..THydrogen-bonded Turntrans83.5-7.2-179.400000115.7L200 C204 H208L200-G206 PolarHBondContact O-N 3.49Å; C204-G206 PolarHBondContact O-N 2.96Å; G206-H208 PolarHBondContact O-CD2 2.65Å; G206-H208 VanDerWaalsContact O-CD2 3.29Å; G206-H208 PolarHBondContact O-N 3.08Å
207D84.4Confident89.2Confident82 Ų8238.7 Ų38.744%0.43920%0.202SC..  trans-83.8106.4169.6174.50000108.8C204 N205 D209 R210C204-D207 VanDerWaalsContact CB-O 3.24Å; C204-D207 WeakPolarHBondContact CB-O 3.44Å; C204-D207 PolarHBondContact O-N 3.16Å; C204-D207 PolarHBondContact SG-O 2.75Å; N205-D207 VanDerWaalsContact C-N 3.28Å; N205-D207 PolarHBondContact O-N 3.1Å; D207-D209 PolarHBondContact O-N 2.9Å; D207-D209 PolarHBondContact OD1-N 3.17Å; D207-R210 HydrophobicContact CB-CB 3.84Å; D207-R210 WeakPolarHBondContact O-CB 3.38Å; D207-R210 PolarHBondContact O-N 2.73Å; D207-R210 PolarHBondContact OD1-N 2.59Å
208H91.5Very high89.4Confident39 Ų3934.7 Ų34.718%0.18118%0.181CC..THydrogen-bonded Turntrans-68.3-16.9-175.8-63.6-173.3000113.4C139 D141 L200 G206 S234 A235 N236C139-H208 PolarHBondContact SG-NE2 3.08Å; D141-H208 IonicContact OD2-CE1 3.01Å; D141-H208 PolarHBondContact OD2-CE1 3.12Å; D141-H208 IonicContact OD2-NE2 2.83Å; D141-H208 PolarHBondContact OD2-NE2 3.41Å; L200-H208 VanDerWaalsContact CD1-NE2 3.31Å; L200-H208 WeakPolarHBondContact CD1-NE2 3.47Å; G206-H208 PolarHBondContact O-CD2 2.65Å; G206-H208 VanDerWaalsContact O-CD2 3.29Å; G206-H208 PolarHBondContact O-N 3.08Å; H208-S234 WeakPolarHBondContact O-CB 3.47Å; H208-S234 PolarHBondContact O-OG 3.4Å; H208-A235 HydrophobicContact CB-CB 4.46Å; H208-A235 PolarHBondContact O-N 3.5Å; H208-A235 VanDerWaalsContact O-N 3.14Å; H208-N236 WeakPolarHBondContact CB-ND2 3.33Å; H208-N236 WeakPolarHBondContact CB-OD1 3.47Å; H208-N236 PolarHBondContact O-N 3.09Å; H208-N236 VanDerWaalsContact O-N 3.09Å
209D94Very high89.4Confident105 Ų10538.3 Ų38.356%0.56120%0.195SC*.THydrogen-bonded Turntrans-96.4-11.6177.5-66.8-49.8000112.7D207 S234 N236D207-D209 PolarHBondContact O-N 2.9Å; D207-D209 PolarHBondContact OD1-N 3.17Å; D209-S234 WeakPolarHBondContact O-CB 3.47Å; D209-N236 VanDerWaalsContact CG-ND2 3.32Å; D209-N236 VanDerWaalsContact OD1-CB 3.31Å; D209-N236 WeakPolarHBondContact OD1-CB 3.26Å; D209-N236 PolarHBondContact OD1-ND2 3Å; D209-N236 PolarHBondContact OD2-ND2 3.11Å
210R89.3Confident89.2Confident34 Ų3437.3 Ų37.313%0.12819%0.186CC..SBendtrans-58.9132.2177.8-175.2178.7-169.4135.610.7110.6V170 C204 N205 D207 V212V170-R210 PolarHBondContact O-NE 2.67Å; V170-R210 PolarHBondContact O-NH2 3.26Å; C204-R210 HydrophobicContact CB-CB 4.08Å; C204-R210 WeakPolarHBondContact O-CD 3.24Å; N205-R210 PolarHBondContact ND2-NH1 3.5Å; D207-R210 HydrophobicContact CB-CB 3.84Å; D207-R210 WeakPolarHBondContact O-CB 3.38Å; D207-R210 PolarHBondContact O-N 2.73Å; D207-R210 PolarHBondContact OD1-N 2.59Å; R210-V212 PolarHBondContact O-N 2.95Å
211P93.9Very high88.6Confident60 Ų6047.5 Ų47.539%0.3923%0.225SC..  trans-60.6134.7-179-26.935.1000114V170 T232 T233V170-P211 HydrophobicContact CB-CB 4.22Å; V170-P211 WeakPolarHBondContact CB-O 3.03Å; V170-P211 HydrophobicContact CG2-CB 4.03Å; V170-P211 WeakPolarHBondContact CG2-O 3.42Å; V170-P211 PolarHBondContact N-O 2.99Å; P211-T232 HydrophobicContact CB-CG2 4.11Å; P211-T233 CarbonylContact C-O 3.6Å; P211-T233 WeakPolarHBondContact CA-O 3.16Å
212V94.5Very high88.2Confident2 Ų244.5 Ų44.51%0.01223%0.227CC..EExtended strand (participates in β ladder)trans-121.4132.3174.3178.60000107.9F167 Y168 L203 C204 R210 I214 T233F167-V212 HydrophobicContact CD1-CG1 4.37Å; Y168-V212 WeakPolarHBondContact O-CA 3.23Å; L203-V212 HydrophobicContact CD1-CG1 3.76Å; L203-V212 HydrophobicContact CD1-CG2 4.32Å; L203-V212 HydrophobicContact CD2-CG2 4.3Å; L203-V212 HydrophobicContact CG-CG1 4.19Å; L203-V212 HydrophobicContact CG-CG2 3.84Å; C204-V212 HydrophobicContact CB-CG2 4.26Å; R210-V212 PolarHBondContact O-N 2.95Å; V212-I214 HydrophobicContact CG1-CG1 4.35Å; V212-T233 PolarHBondContact N-O 3.48Å; V212-T233 PolarHBondContact O-N 2.98Å
213V96.5Very high87.6Confident1 Ų143.7 Ų43.71%0.00624%0.238CC..EExtended strand (participates in β ladder)trans-101.7125.4173.2176.20000109.3F167 Y168 V170 E230 I231 T232F167-V213 CarbonylContact C-O 3.57Å; F167-V213 WeakPolarHBondContact CA-O 3.33Å; Y168-V213 PolarHBondContact N-O 3.42Å; Y168-V213 PolarHBondContact O-N 2.71Å; V170-V213 HydrophobicContact CG2-CG2 4.01Å; V213-E230 HydrophobicContact CG1-CB 4.07Å; V213-I231 CarbonylContact C-O 3.57Å; V213-I231 VanDerWaalsContact CA-O 3.29Å; V213-I231 WeakPolarHBondContact CA-O 3.17Å; V213-I231 WeakPolarHBondContact CG1-O 3.34Å; V213-T232 HydrophobicContact CG2-CG2 4.29Å
214I97.7Very high87.2Confident1 Ų153.7 Ų53.71%0.00528%0.275CS..EExtended strand (participates in β ladder)trans-106.9110.8173.4-51.6178.6000107.1L165 F167 V212 E230 I231 T233 L238 L269L165-I214 HydrophobicContact CD1-CG2 4.42Å; L165-I214 HydrophobicContact CD2-CG2 4.36Å; F167-I214 HydrophobicContact CD1-CD1 3.98Å; F167-I214 HydrophobicContact CD1-CG1 3.71Å; F167-I214 HydrophobicContact CE1-CD1 3.48Å; F167-I214 VanDerWaalsContact CE1-CD1 3.48Å; F167-I214 HydrophobicContact CE1-CG1 3.72Å; F167-I214 HydrophobicContact CE1-CG2 4.21Å; F167-I214 HydrophobicContact CE2-CG2 4.43Å; F167-I214 HydrophobicContact CZ-CD1 4.24Å; F167-I214 HydrophobicContact CZ-CG1 4.5Å; F167-I214 HydrophobicContact CZ-CG2 4.17Å; V212-I214 HydrophobicContact CG1-CG1 4.35Å; I214-E230 WeakPolarHBondContact O-CA 3.17Å; I214-I231 HydrophobicContact CB-CD1 4.21Å; I214-I231 HydrophobicContact CB-CG1 3.79Å; I214-I231 HydrophobicContact CD1-CD1 4.21Å; I214-I231 HydrophobicContact CG1-CG1 4.41Å; I214-I231 PolarHBondContact N-O 3.44Å; I214-I231 PolarHBondContact O-N 3.45Å; I214-T233 HydrophobicContact CD1-CG2 4.13Å; I214-L238 HydrophobicContact CD1-CD1 4.22Å; I214-L269 HydrophobicContact CB-CD1 4.45Å; I214-L269 HydrophobicContact CG2-CD1 3.81Å
215A96.7Very high87.1Confident2 Ų258.2 Ų58.22%0.01730%0.296CS..EExtended strand (participates in β ladder)trans-103.1129.6178.500000110.2L165 A166 Y168 I217 L227 E230L165-A215 CarbonylContact C-O 3.48Å; L165-A215 WeakPolarHBondContact CA-O 3.49Å; A166-A215 PolarHBondContact N-O 2.89Å; A166-A215 PolarHBondContact O-N 3.44Å; Y168-A215 HydrophobicContact CD2-CB 4.42Å; Y168-A215 HydrophobicContact CE2-CB 3.84Å; A215-I217 HydrophobicContact CB-CD1 4.17Å; A215-I217 HydrophobicContact CB-CG1 4.05Å; A215-L227 HydrophobicContact CB-CD1 3.93Å; A215-E230 HydrophobicContact CB-CB 4.16Å
216C98.4Very high87.8Confident0 Ų055.8 Ų55.80%029%0.286CS..EExtended strand (participates in β ladder)trans-91.3120.6166.6-169.70000108.7F164 L165 I228 G229 L251F164-C216 WeakPolarHBondContact O-CA 3.38Å; L165-C216 HydrophobicContact CD2-CB 3.94Å; C216-I228 HydrophobicContact CB-CB 4.29Å; C216-I228 WeakPolarHBondContact O-CA 3.28Å; C216-I228 VanDerWaalsContact O-CB 3.29Å; C216-I228 WeakPolarHBondContact O-CB 3.26Å; C216-I228 PolarHBondContact O-N 3.26Å; C216-G229 PolarHBondContact N-O 3.14Å; C216-G229 PolarHBondContact O-N 3.34Å; C216-L251 HydrophobicContact CB-CD1 3.69Å; C216-L251 HydrophobicContact CB-CD2 3.98Å
217I95.1Very high88.7Confident10 Ų1057.2 Ų57.25%0.05129%0.289CS..EExtended strand (participates in β ladder)trans-125.5137.6-170.7-56.7174.6000108.5P163 F164 A166 A215 E225 L227P163-I217 CarbonylContact C-O 3.54Å; P163-I217 WeakPolarHBondContact CA-O 3.47Å; F164-I217 HydrophobicContact CD1-CB 4.22Å; F164-I217 VanDerWaalsContact CD1-O 3.23Å; F164-I217 WeakPolarHBondContact CD1-O 3.28Å; F164-I217 HydrophobicContact CE1-CB 3.64Å; F164-I217 HydrophobicContact CE1-CG2 3.55Å; F164-I217 HydrophobicContact CE2-CB 4.09Å; F164-I217 HydrophobicContact CE2-CD1 4.14Å; F164-I217 HydrophobicContact CE2-CG2 4.5Å; F164-I217 HydrophobicContact CZ-CB 3.57Å; F164-I217 HydrophobicContact CZ-CD1 4.05Å; F164-I217 HydrophobicContact CZ-CG1 4.38Å; F164-I217 HydrophobicContact CZ-CG2 3.55Å; F164-I217 PolarHBondContact N-O 3.4Å; F164-I217 PolarHBondContact O-N 3.06Å; A166-I217 HydrophobicContact CB-CD1 3.8Å; A215-I217 HydrophobicContact CB-CD1 4.17Å; A215-I217 HydrophobicContact CB-CG1 4.05Å; I217-E225 HydrophobicContact CG2-CB 3.66Å; I217-E225 HydrophobicContact CG2-CG 4.23Å; I217-L227 HydrophobicContact CG1-CD1 4.27Å
218D95.1Very high89.3Confident0 Ų053.3 Ų53.30%027%0.268CS..EExtended strand (participates in β ladder)trans-88.4118.2173.6172.165.9000109.9K155 S161 D162 N220 S226 I228K155-D218 HydrophobicContact CB-CB 3.83Å; K155-D218 VanDerWaalsContact CB-OD2 3.23Å; K155-D218 WeakPolarHBondContact CB-OD2 3.42Å; K155-D218 HydrophobicContact CG-CB 3.81Å; S161-D218 VanDerWaalsContact CA-OD1 3.23Å; S161-D218 WeakPolarHBondContact CA-OD1 3.49Å; S161-D218 VanDerWaalsContact CB-OD1 3.23Å; S161-D218 WeakPolarHBondContact CB-OD1 3.41Å; D162-D218 PolarHBondContact N-OD1 3.34Å; D218-N220 PolarHBondContact O-ND2 3.24Å; D218-N220 PolarHBondContact OD2-ND2 2.97Å; D218-S226 WeakPolarHBondContact CB-O 3.39Å; D218-S226 WeakPolarHBondContact CB-OG 3.33Å; D218-S226 PolarHBondContact N-O 2.98Å; D218-S226 PolarHBondContact O-N 3.04Å; D218-S226 VanDerWaalsContact O-N 3.08Å; D218-S226 PolarHBondContact OD2-OG 3.31Å; D218-I228 HydrophobicContact CB-CD1 4.09Å; D218-I228 HydrophobicContact CB-CG1 4.01Å
219W90.2Very high89.6Confident76 Ų7651.5 Ų51.529%0.28826%0.26SS..  trans-76138.1178-178.386.9000110.7D162 F164 V184 R221D162-W219 HydrophobicContact CB-CB 4.2Å; D162-W219 WeakPolarHBondContact O-CB 3.22Å; D162-W219 PolarHBondContact O-N 2.94Å; F164-W219 HydrophobicContact CD1-CB 4.02Å; F164-W219 HydrophobicContact CE1-CB 4.04Å; V184-W219 HydrophobicContact CB-CB 4.47Å; V184-W219 HydrophobicContact CG1-CB 3.7Å; V184-W219 HydrophobicContact CG1-CG 4.16Å; V184-W219 HydrophobicContact CG2-CB 3.87Å; V184-W219 HydrophobicContact CG2-CG 3.93Å; W219-R221 HydrophobicContact CH2-CB 4.24Å; W219-R221 HydrophobicContact CH2-CG 3.58Å; W219-R221 HydrophobicContact CZ3-CB 4.41Å; W219-R221 HydrophobicContact CZ3-CG 3.6Å
220N83.9Confident89.8Confident34 Ų3448 Ų4818%0.18224%0.24CC..  trans-129.5138.2179.7-83.6-76.8000110.6D156 D218 S222 G223 R224D156-N220 PolarHBondContact OD1-OD1 3.33Å; D218-N220 PolarHBondContact O-ND2 3.24Å; D218-N220 PolarHBondContact OD2-ND2 2.97Å; N220-S222 PolarHBondContact O-N 3.33Å; N220-G223 PolarHBondContact O-N 2.86Å; N220-R224 WeakPolarHBondContact CB-O 3.18Å; N220-R224 PolarHBondContact ND2-O 3.4Å
221R76.5Confident90.2Very high214 Ų21447.1 Ų47.181%0.80824%0.238SC*.THydrogen-bonded Turntrans-56-26.8175.3-72.7-173.7-178.2-167.11.8113.7W219 G223W219-R221 HydrophobicContact CH2-CB 4.24Å; W219-R221 HydrophobicContact CH2-CG 3.58Å; W219-R221 HydrophobicContact CZ3-CB 4.41Å; W219-R221 HydrophobicContact CZ3-CG 3.6Å; R221-G223 PolarHBondContact O-N 2.87Å
222S77Confident90.4Very high90 Ų9048.3 Ų48.363%0.62924%0.244SC*.THydrogen-bonded Turntrans-72.7-10.5178.565.60000113.8N220 R224N220-S222 PolarHBondContact O-N 3.33Å; S222-R224 PolarHBondContact O-N 2.99Å; S222-R224 PolarHBondContact OG-N 2.77Å
223G66.6Low90.5Very high61 Ų6148.5 Ų48.563%0.62925%0.245SC*.SBendtrans78.8-4.8-171.400000114.3N220 R221 E225N220-G223 PolarHBondContact O-N 2.86Å; R221-G223 PolarHBondContact O-N 2.87Å; G223-E225 PolarHBondContact O-N 3.11Å; G223-E225 VanDerWaalsContact O-N 3.17Å
224R76.2Confident90.5Very high211 Ų21149 Ų4980%0.79625%0.249SC*.  trans-85.684.2173.2-67.6-173.1-172.9-177.22.5110.1N220 S222N220-R224 WeakPolarHBondContact CB-O 3.18Å; N220-R224 PolarHBondContact ND2-O 3.4Å; S222-R224 PolarHBondContact O-N 2.99Å; S222-R224 PolarHBondContact OG-N 2.77Å
225E80.5Confident90.4Very high95 Ų9549 Ų4944%0.44425%0.249SC..  trans-58.9140.6172.9-69.2179.7175.600111.5F164 I217 G223F164-E225 HydrophobicContact CE1-CG 4.47Å; F164-E225 HydrophobicContact CZ-CG 4.41Å; I217-E225 HydrophobicContact CG2-CB 3.66Å; I217-E225 HydrophobicContact CG2-CG 4.23Å; G223-E225 PolarHBondContact O-N 3.11Å; G223-E225 VanDerWaalsContact O-N 3.17Å
226S90.1Very high90.4Very high35 Ų3551.1 Ų51.125%0.24526%0.26CS..EExtended strand (participates in β ladder)trans-120.9125.6-178.988.10000111.4K155 D218 I228K155-S226 WeakPolarHBondContact CB-OG 3.18Å; K155-S226 WeakPolarHBondContact CG-OG 3.37Å; D218-S226 WeakPolarHBondContact CB-O 3.39Å; D218-S226 WeakPolarHBondContact CB-OG 3.33Å; D218-S226 PolarHBondContact N-O 2.98Å; D218-S226 PolarHBondContact O-N 3.04Å; D218-S226 VanDerWaalsContact O-N 3.08Å; D218-S226 PolarHBondContact OD2-OG 3.31Å; S226-I228 PolarHBondContact O-N 3.03Å
227L94.3Very high90.3Very high50 Ų5055.4 Ų55.426%0.26228%0.28SS..EExtended strand (participates in β ladder)trans-68.2120.7-179.4-178.668.6000110.2K155 A215 I217 N253K155-L227 WeakPolarHBondContact CE-O 3.45Å; K155-L227 PolarHBondContact NZ-O 2.81Å; A215-L227 HydrophobicContact CB-CD1 3.93Å; I217-L227 HydrophobicContact CG1-CD1 4.27Å; L227-N253 PolarHBondContact O-ND2 3.06Å
228I97.5Very high90.4Very high0 Ų055 Ų550%028%0.278CS..EExtended strand (participates in β ladder)trans-72.1-65.1167.4-62.3175.4000107.5L152 D153 K155 P163 C216 D218 S226 N253 S266L152-I228 HydrophobicContact CB-CG2 4.33Å; L152-I228 HydrophobicContact CD1-CD1 4.45Å; D153-I228 HydrophobicContact CB-CG2 4.17Å; K155-I228 HydrophobicContact CG-CG1 3.93Å; P163-I228 HydrophobicContact CB-CD1 4.06Å; C216-I228 HydrophobicContact CB-CB 4.29Å; C216-I228 WeakPolarHBondContact O-CA 3.28Å; C216-I228 VanDerWaalsContact O-CB 3.29Å; C216-I228 WeakPolarHBondContact O-CB 3.26Å; C216-I228 PolarHBondContact O-N 3.26Å; D218-I228 HydrophobicContact CB-CD1 4.09Å; D218-I228 HydrophobicContact CB-CG1 4.01Å; S226-I228 PolarHBondContact O-N 3.03Å; I228-N253 WeakPolarHBondContact O-CB 3.39Å; I228-N253 PolarHBondContact O-ND2 2.79Å; I228-S266 WeakPolarHBondContact CG2-O 3.4Å; I228-S266 WeakPolarHBondContact O-CB 3.28Å; I228-S266 PolarHBondContact O-OG 3.02Å
229G98.2Very high90.5Very high0 Ų057 Ų570%029%0.288CS..EExtended strand (participates in β ladder)trans-169.1174.7172.200000111.1C216 I252C216-G229 PolarHBondContact N-O 3.14Å; C216-G229 PolarHBondContact O-N 3.34Å; G229-I252 WeakPolarHBondContact CA-O 3.3Å
230E98.1Very high90.9Very high32 Ų3256.9 Ų56.915%0.1530%0.296CS..EExtended strand (participates in β ladder)trans-137.9158.1179.361.5179.7-134.700111.6R176 V213 I214 A215 I252 P254R176-E230 IonicContact CZ-OE1 2.69Å; R176-E230 IonicContact CZ-OE2 2.85Å; R176-E230 VanDerWaalsContact NH1-CD 3.31Å; R176-E230 IonicContact NH1-OE1 2.59Å; R176-E230 PolarHBondContact NH1-OE1 2.89Å; R176-E230 IonicContact NH1-OE2 3.22Å; R176-E230 PolarHBondContact NH1-OE2 3.44Å; R176-E230 IonicContact NH2-OE1 3.64Å; R176-E230 PolarHBondContact NH2-OE1 3.03Å; V213-E230 HydrophobicContact CG1-CB 4.07Å; I214-E230 WeakPolarHBondContact O-CA 3.17Å; A215-E230 HydrophobicContact CB-CB 4.16Å; E230-I252 PolarHBondContact N-O 2.98Å; E230-I252 PolarHBondContact O-N 2.58Å; E230-P254 HydrophobicContact CG-CG 4.36Å
231I97.9Very high91.5Very high16 Ų1656.7 Ų56.78%0.08230%0.295CS..EExtended strand (participates in β ladder)trans-123.5151.616658.1170.3000109.4V213 I214 T233 L249 D250 L251 L269V213-I231 CarbonylContact C-O 3.57Å; V213-I231 VanDerWaalsContact CA-O 3.29Å; V213-I231 WeakPolarHBondContact CA-O 3.17Å; V213-I231 WeakPolarHBondContact CG1-O 3.34Å; I214-I231 HydrophobicContact CB-CD1 4.21Å; I214-I231 HydrophobicContact CB-CG1 3.79Å; I214-I231 HydrophobicContact CD1-CD1 4.21Å; I214-I231 HydrophobicContact CG1-CG1 4.41Å; I214-I231 PolarHBondContact N-O 3.44Å; I214-I231 PolarHBondContact O-N 3.45Å; I231-T233 HydrophobicContact CD1-CG2 4.42Å; I231-L249 HydrophobicContact CD1-CB 4.04Å; I231-L249 HydrophobicContact CD1-CD1 3.69Å; I231-L249 HydrophobicContact CD1-CD2 4.06Å; I231-L249 HydrophobicContact CD1-CG 4.16Å; I231-L249 HydrophobicContact CG2-CB 4.39Å; I231-D250 WeakPolarHBondContact CG2-O 3.3Å; I231-L251 HydrophobicContact CG2-CD2 4.36Å; I231-L269 HydrophobicContact CD1-CD1 4.04Å; I231-L269 HydrophobicContact CG1-CD1 4.42Å
232T97.2Very high92.5Very high85 Ų8548.5 Ų48.552%0.52127%0.265SS..EExtended strand (participates in β ladder)trans-109.7129.1166-55.40000107.1P211 V213P211-T232 HydrophobicContact CB-CG2 4.11Å; V213-T232 HydrophobicContact CG2-CG2 4.29Å
233T96.9Very high93.5Very high5 Ų549.5 Ų49.53%0.03126%0.263CS..EExtended strand (participates in β ladder)trans-149.2-168.5179.9-167.60000111.5P211 V212 I214 I231 E237 L238P211-T233 CarbonylContact C-O 3.6Å; P211-T233 WeakPolarHBondContact CA-O 3.16Å; V212-T233 PolarHBondContact N-O 3.48Å; V212-T233 PolarHBondContact O-N 2.98Å; I214-T233 HydrophobicContact CD1-CG2 4.13Å; I231-T233 HydrophobicContact CD1-CG2 4.42Å; T233-E237 WeakPolarHBondContact CA-OE2 3.36Å; T233-E237 WeakPolarHBondContact CB-OE2 3.38Å; T233-E237 PolarHBondContact OG1-OE2 2.98Å; T233-L238 HydrophobicContact CG2-CD1 3.95Å; T233-L238 HydrophobicContact CG2-CD2 3.94Å; T233-L238 HydrophobicContact CG2-CG 3.74Å
234S96.6Very high95Very high12 Ų1252.2 Ų52.28%0.08426%0.263CS..  trans-138.2169.4168.274.90000110.5H208 D209 N236 E237 L238H208-S234 WeakPolarHBondContact O-CB 3.47Å; H208-S234 PolarHBondContact O-OG 3.4Å; D209-S234 WeakPolarHBondContact O-CB 3.47Å; S234-N236 VanDerWaalsContact C-N 3.33Å; S234-N236 PolarHBondContact O-N 3.04Å; S234-E237 PolarHBondContact N-OE2 3.49Å; S234-E237 PolarHBondContact O-N 2.79Å; S234-E237 WeakPolarHBondContact OG-CB 3.31Å; S234-E237 PolarHBondContact OG-N 2.84Å; S234-L238 WeakPolarHBondContact O-CG 3.42Å; S234-L238 PolarHBondContact O-N 3.44Å
235A95.4Very high95.9Very high1 Ų143.9 Ų43.91%0.00824%0.243CC..Hα-helixtrans-61.7-44.1176.900000111L200 H208 L238 L239 I276L200-A235 HydrophobicContact CD1-CB 4.38Å; L200-A235 HydrophobicContact CD2-CB 3.74Å; H208-A235 HydrophobicContact CB-CB 4.46Å; H208-A235 PolarHBondContact O-N 3.5Å; H208-A235 VanDerWaalsContact O-N 3.14Å; A235-L238 PolarHBondContact O-N 2.87Å; A235-L239 WeakPolarHBondContact O-CB 3.46Å; A235-L239 PolarHBondContact O-N 3.4Å; A235-I276 HydrophobicContact CB-CD1 3.92Å
236N96.3Very high96.7Very high47 Ų4743.4 Ų43.425%0.25124%0.243SC..Hα-helixtrans-65.3-38175.9-82.4-16.1000112.8H208 D209 S234 L239 T240H208-N236 WeakPolarHBondContact CB-ND2 3.33Å; H208-N236 WeakPolarHBondContact CB-OD1 3.47Å; H208-N236 PolarHBondContact O-N 3.09Å; H208-N236 VanDerWaalsContact O-N 3.09Å; D209-N236 VanDerWaalsContact CG-ND2 3.32Å; D209-N236 VanDerWaalsContact OD1-CB 3.31Å; D209-N236 WeakPolarHBondContact OD1-CB 3.26Å; D209-N236 PolarHBondContact OD1-ND2 3Å; D209-N236 PolarHBondContact OD2-ND2 3.11Å; S234-N236 VanDerWaalsContact C-N 3.33Å; S234-N236 PolarHBondContact O-N 3.04Å; N236-L239 PolarHBondContact O-N 3.15Å; N236-T240 VanDerWaalsContact O-CB 3.23Å; N236-T240 WeakPolarHBondContact O-CB 3.4Å; N236-T240 PolarHBondContact O-N 3.35Å; N236-T240 PolarHBondContact O-OG1 3.3Å
237E97.5Very high97.1Very high89 Ų8946.8 Ų46.842%0.41625%0.251SS..Hα-helixtrans-67.1-46.2177.5-173.1-178.1-153.900111T233 S234 L239 T240 M241T233-E237 WeakPolarHBondContact CA-OE2 3.36Å; T233-E237 WeakPolarHBondContact CB-OE2 3.38Å; T233-E237 PolarHBondContact OG1-OE2 2.98Å; S234-E237 PolarHBondContact N-OE2 3.49Å; S234-E237 PolarHBondContact O-N 2.79Å; S234-E237 WeakPolarHBondContact OG-CB 3.31Å; S234-E237 PolarHBondContact OG-N 2.84Å; E237-L239 VanDerWaalsContact C-N 3.3Å; E237-L239 PolarHBondContact O-N 2.84Å; E237-T240 PolarHBondContact O-N 2.89Å; E237-M241 HydrophobicContact CG-CG 4.3Å; E237-M241 HydrophobicContact CG-SD 4.09Å; E237-M241 WeakPolarHBondContact O-CB 3.43Å; E237-M241 VanDerWaalsContact O-CG 3.24Å; E237-M241 WeakPolarHBondContact O-CG 2.85Å; E237-M241 PolarHBondContact O-N 2.77Å
238L97.7Very high97.2Very high3 Ų347.2 Ų47.22%0.01626%0.258CS..Hα-helixtrans-55.3-46.4174-74.1173.3000111.6L143 L145 I214 T233 S234 A235 F242 L249 L271 V274L143-L238 HydrophobicContact CD2-CD1 4.38Å; L145-L238 HydrophobicContact CD2-CD1 4.33Å; I214-L238 HydrophobicContact CD1-CD1 4.22Å; T233-L238 HydrophobicContact CG2-CD1 3.95Å; T233-L238 HydrophobicContact CG2-CD2 3.94Å; T233-L238 HydrophobicContact CG2-CG 3.74Å; S234-L238 WeakPolarHBondContact O-CG 3.42Å; S234-L238 PolarHBondContact O-N 3.44Å; A235-L238 PolarHBondContact O-N 2.87Å; L238-F242 WeakPolarHBondContact O-CB 3.01Å; L238-F242 PolarHBondContact O-N 3.45Å; L238-L249 HydrophobicContact CD2-CD1 3.87Å; L238-L271 HydrophobicContact CD2-CD1 4.07Å; L238-L271 HydrophobicContact CD2-CD2 4.02Å; L238-V274 HydrophobicContact CB-CG1 4.04Å
239L96.9Very high97.3Very high41 Ų4148.1 Ų48.122%0.21526%0.263CS..Hα-helixtrans-64.6-44.5179-176.464.4000111.6A235 N236 E237 F242 N243 V274 I276A235-L239 WeakPolarHBondContact O-CB 3.46Å; A235-L239 PolarHBondContact O-N 3.4Å; N236-L239 PolarHBondContact O-N 3.15Å; E237-L239 VanDerWaalsContact C-N 3.3Å; E237-L239 PolarHBondContact O-N 2.84Å; L239-F242 PolarHBondContact O-N 2.79Å; L239-N243 WeakPolarHBondContact O-CB 3.27Å; L239-N243 VanDerWaalsContact O-CG 3.25Å; L239-N243 PolarHBondContact O-N 3.29Å; L239-N243 PolarHBondContact O-ND2 3.22Å; L239-V274 HydrophobicContact CB-CG1 4.28Å; L239-V274 HydrophobicContact CD1-CG1 4.31Å; L239-I276 HydrophobicContact CB-CD1 4.27Å; L239-I276 HydrophobicContact CD2-CB 4.34Å; L239-I276 HydrophobicContact CD2-CD1 3.91Å; L239-I276 HydrophobicContact CD2-CG1 4.17Å
240T97.6Very high97.3Very high74 Ų7452.2 Ų52.245%0.45429%0.285SS..Hα-helixtrans-63.7-45.1179-61.90000111.3N236 E237 N243 N244N236-T240 VanDerWaalsContact O-CB 3.23Å; N236-T240 WeakPolarHBondContact O-CB 3.4Å; N236-T240 PolarHBondContact O-N 3.35Å; N236-T240 PolarHBondContact O-OG1 3.3Å; E237-T240 PolarHBondContact O-N 2.89Å; T240-N243 PolarHBondContact O-N 2.86Å; T240-N244 WeakPolarHBondContact CG2-ND2 3.44Å; T240-N244 VanDerWaalsContact O-CB 3.28Å; T240-N244 WeakPolarHBondContact O-CB 3.28Å; T240-N244 PolarHBondContact O-N 3.02Å; T240-N244 PolarHBondContact O-ND2 3.26Å
241M97Very high97.3Very high30 Ų3050.7 Ų50.715%0.14828%0.278CS..Hα-helixtrans-58.8-49.2175.9-73.5-178.272.900111E237 N243 N244 G245 I246 L249E237-M241 HydrophobicContact CG-CG 4.3Å; E237-M241 HydrophobicContact CG-SD 4.09Å; E237-M241 WeakPolarHBondContact O-CB 3.43Å; E237-M241 VanDerWaalsContact O-CG 3.24Å; E237-M241 WeakPolarHBondContact O-CG 2.85Å; E237-M241 PolarHBondContact O-N 2.77Å; M241-N243 PolarHBondContact O-N 3.15Å; M241-N244 CarbonylContact O-C 3.5Å; M241-N244 PolarHBondContact O-N 3.25Å; M241-G245 PolarHBondContact O-N 3.26Å; M241-I246 CarbonylContact C-O 3.5Å; M241-I246 HydrophobicContact CB-CB 4.12Å; M241-I246 HydrophobicContact CE-CB 4.19Å; M241-I246 HydrophobicContact CE-CG2 3.45Å; M241-I246 VanDerWaalsContact CE-CG2 3.45Å; M241-I246 WeakPolarHBondContact O-CA 3.48Å; M241-I246 WeakPolarHBondContact O-CB 3.2Å; M241-I246 PolarHBondContact O-N 3.02Å; M241-L249 HydrophobicContact CE-CD2 3.44Å; M241-L249 VanDerWaalsContact CE-CD2 3.44Å; M241-L249 HydrophobicContact CE-CG 3.98Å; M241-L249 HydrophobicContact SD-CD2 3.74Å
242F97.7Very high97.3Very high41 Ų4153 Ų5318%0.1829%0.29CS..Hα-helixtrans-61.2-46.6180-172.7-101.1000112.2L238 L239 N244 G245 Y247 L271 V274L238-F242 WeakPolarHBondContact O-CB 3.01Å; L238-F242 PolarHBondContact O-N 3.45Å; L239-F242 PolarHBondContact O-N 2.79Å; F242-N244 VanDerWaalsContact C-N 3.26Å; F242-N244 PolarHBondContact O-N 2.87Å; F242-G245 PolarHBondContact O-N 3.49Å; F242-G245 VanDerWaalsContact O-N 3.13Å; F242-Y247 AromaticContact CD2-CD1 3.71Å; F242-Y247 HydrophobicContact CD2-CD1 3.71Å; F242-Y247 AromaticContact CD2-CE1 3.79Å; F242-Y247 HydrophobicContact CD2-CE1 3.79Å; F242-Y247 AromaticContact CE2-CD1 3.92Å; F242-Y247 HydrophobicContact CE2-CD1 3.92Å; F242-Y247 AromaticContact CE2-CE1 3.85Å; F242-Y247 HydrophobicContact CE2-CE1 3.85Å; F242-Y247 HydrophobicContact CG-CE1 4.39Å; F242-Y247 WeakPolarHBondContact O-CE1 3.48Å; F242-L271 HydrophobicContact CD2-CB 4.09Å; F242-V274 HydrophobicContact CB-CB 3.77Å; F242-V274 HydrophobicContact CB-CG2 3.77Å; F242-V274 HydrophobicContact CD1-CB 4.13Å; F242-V274 HydrophobicContact CD2-CB 4.26Å; F242-V274 HydrophobicContact CD2-CG2 3.9Å; F242-V274 HydrophobicContact CG-CB 3.8Å; F242-V274 HydrophobicContact CG-CG2 3.86Å
243N97.1Very high97.3Very high112 Ų11249.4 Ų49.460%0.59927%0.267SS*.Hα-helixtrans-64.9-28.7177.9-71.9-18.6000113.1L239 T240 M241 G245L239-N243 WeakPolarHBondContact O-CB 3.27Å; L239-N243 VanDerWaalsContact O-CG 3.25Å; L239-N243 PolarHBondContact O-N 3.29Å; L239-N243 PolarHBondContact O-ND2 3.22Å; T240-N243 PolarHBondContact O-N 2.86Å; M241-N243 PolarHBondContact O-N 3.15Å; N243-G245 VanDerWaalsContact C-N 3.32Å
244N97.7Very high97.2Very high117 Ų11751.3 Ų51.363%0.62628%0.28SS*.THydrogen-bonded Turntrans-88.36.9176.8-69.5-24.9000113.7T240 M241 F242T240-N244 WeakPolarHBondContact CG2-ND2 3.44Å; T240-N244 VanDerWaalsContact O-CB 3.28Å; T240-N244 WeakPolarHBondContact O-CB 3.28Å; T240-N244 PolarHBondContact O-N 3.02Å; T240-N244 PolarHBondContact O-ND2 3.26Å; M241-N244 CarbonylContact O-C 3.5Å; M241-N244 PolarHBondContact O-N 3.25Å; F242-N244 VanDerWaalsContact C-N 3.26Å; F242-N244 PolarHBondContact O-N 2.87Å
245G97.1Very high97.1Very high37 Ų3757 Ų5738%0.38130%0.304SS..THydrogen-bonded Turntrans79.214.6178.400000115M241 F242 N243 Y247M241-G245 PolarHBondContact O-N 3.26Å; F242-G245 PolarHBondContact O-N 3.49Å; F242-G245 VanDerWaalsContact O-N 3.13Å; N243-G245 VanDerWaalsContact C-N 3.32Å; G245-Y247 WeakPolarHBondContact O-CD2 3.47Å; G245-Y247 WeakPolarHBondContact O-CE2 3.31Å; G245-Y247 PolarHBondContact O-N 2.57Å
246I97Very high97.1Very high84 Ų8459.6 Ų59.643%0.43132%0.316SS..  trans-94.396.2176.8-51.1173.9000108.6M241M241-I246 CarbonylContact C-O 3.5Å; M241-I246 HydrophobicContact CB-CB 4.12Å; M241-I246 HydrophobicContact CE-CB 4.19Å; M241-I246 HydrophobicContact CE-CG2 3.45Å; M241-I246 VanDerWaalsContact CE-CG2 3.45Å; M241-I246 WeakPolarHBondContact O-CA 3.48Å; M241-I246 WeakPolarHBondContact O-CB 3.2Å; M241-I246 PolarHBondContact O-N 3.02Å
247Y97.4Very high97Very high107 Ų10759.7 Ų59.742%0.4232%0.323SS..  trans-101.1-1.9-173.4-51.2-59.8000114.5F242 G245 H270 L271F242-Y247 AromaticContact CD2-CD1 3.71Å; F242-Y247 HydrophobicContact CD2-CD1 3.71Å; F242-Y247 AromaticContact CD2-CE1 3.79Å; F242-Y247 HydrophobicContact CD2-CE1 3.79Å; F242-Y247 AromaticContact CE2-CD1 3.92Å; F242-Y247 HydrophobicContact CE2-CD1 3.92Å; F242-Y247 AromaticContact CE2-CE1 3.85Å; F242-Y247 HydrophobicContact CE2-CE1 3.85Å; F242-Y247 HydrophobicContact CG-CE1 4.39Å; F242-Y247 WeakPolarHBondContact O-CE1 3.48Å; G245-Y247 WeakPolarHBondContact O-CD2 3.47Å; G245-Y247 WeakPolarHBondContact O-CE2 3.31Å; G245-Y247 PolarHBondContact O-N 2.57Å; Y247-H270 VanDerWaalsContact CB-CE1 3.45Å; Y247-H270 WeakPolarHBondContact CB-CE1 3.25Å; Y247-H270 CarbonylContact O-C 3.51Å; Y247-H270 WeakPolarHBondContact O-CA 3.27Å; Y247-H270 PolarHBondContact O-ND1 2.75Å; Y247-L271 PolarHBondContact O-N 3.02Å
248S97.6Very high96.8Very high58 Ų5864.2 Ų64.241%0.40634%0.341SS..EExtended strand (participates in β ladder)trans-124.1130.3-175.1-171.80000111.1T268 L269S248-T268 WeakPolarHBondContact OG-CB 2.94Å; S248-L269 WeakPolarHBondContact CA-O 3.15Å
249L97.7Very high96.6Very high19 Ų1973.5 Ų73.510%0.09938%0.376CS..EExtended strand (participates in β ladder)trans-120.2121.6-180-74.7152.6000109.2I231 L238 M241 L251 T268 L269 L271I231-L249 HydrophobicContact CD1-CB 4.04Å; I231-L249 HydrophobicContact CD1-CD1 3.69Å; I231-L249 HydrophobicContact CD1-CD2 4.06Å; I231-L249 HydrophobicContact CD1-CG 4.16Å; I231-L249 HydrophobicContact CG2-CB 4.39Å; L238-L249 HydrophobicContact CD2-CD1 3.87Å; M241-L249 HydrophobicContact CE-CD2 3.44Å; M241-L249 VanDerWaalsContact CE-CD2 3.44Å; M241-L249 HydrophobicContact CE-CG 3.98Å; M241-L249 HydrophobicContact SD-CD2 3.74Å; L249-L251 PolarHBondContact O-N 3.33Å; L249-T268 CarbonylContact O-C 3.56Å; L249-T268 WeakPolarHBondContact O-CA 3.32Å; L249-T268 WeakPolarHBondContact O-CB 3.25Å; L249-L269 HydrophobicContact CB-CB 4.29Å; L249-L269 PolarHBondContact N-O 3.33Å; L249-L269 PolarHBondContact O-N 2.97Å; L249-L271 HydrophobicContact CD1-CD1 3.8Å; L249-L271 HydrophobicContact CD1-CD2 3.83Å; L249-L271 HydrophobicContact CD1-CG 3.83Å
250D98.2Very high96.3Very high87 Ų8776.9 Ų76.947%0.46539%0.39SS..EExtended strand (participates in β ladder)trans-72.6121.6179.1-77.4-33.4000111.6I231 I252 N265 T268I231-D250 WeakPolarHBondContact CG2-O 3.3Å; D250-I252 HydrophobicContact CB-CD1 4.28Å; D250-I252 PolarHBondContact O-N 2.92Å; D250-N265 HydrophobicContact CB-CB 3.89Å; D250-N265 PolarHBondContact OD1-ND2 2.72Å; D250-T268 VanDerWaalsContact OD1-CG2 3.31Å; D250-T268 WeakPolarHBondContact OD1-CG2 3.27Å
251L98.5Very high95.9Very high0 Ų082.8 Ų82.80%041%0.41CS..  trans-77.4121173.7-73.2164.5000110.1L152 C216 I231 L249 Y263 N265 S266 G267 L269L152-L251 HydrophobicContact CD2-CD1 3.49Å; L152-L251 VanDerWaalsContact CD2-CD1 3.49Å; C216-L251 HydrophobicContact CB-CD1 3.69Å; C216-L251 HydrophobicContact CB-CD2 3.98Å; I231-L251 HydrophobicContact CG2-CD2 4.36Å; L249-L251 PolarHBondContact O-N 3.33Å; L251-Y263 PolarHBondContact O-OH 3.3Å; L251-Y263 VanDerWaalsContact O-OH 3.13Å; L251-N265 CarbonylContact O-C 3.57Å; L251-N265 WeakPolarHBondContact O-CA 3.48Å; L251-S266 PolarHBondContact O-N 2.83Å; L251-G267 WeakPolarHBondContact CB-O 3.48Å; L251-G267 PolarHBondContact N-O 3.38Å; L251-L269 HydrophobicContact CD1-CD2 3.89Å; L251-L269 HydrophobicContact CD1-CG 4Å; L251-L269 HydrophobicContact CD2-CD1 3.96Å; L251-L269 HydrophobicContact CD2-CD2 4.36Å; L251-L269 HydrophobicContact CD2-CG 3.85Å; L251-L269 HydrophobicContact CG-CD2 4.38Å; L251-L269 HydrophobicContact CG-CG 3.94Å
252I98.3Very high95.8Very high65 Ų6589.4 Ų89.433%0.33344%0.44SS..BIsolated β-bridgetrans-104.7123.5-178.9-56.6-55.3000110.2G229 E230 D250 P254 A257 Y263 Q264 N265G229-I252 WeakPolarHBondContact CA-O 3.3Å; E230-I252 PolarHBondContact N-O 2.98Å; E230-I252 PolarHBondContact O-N 2.58Å; D250-I252 HydrophobicContact CB-CD1 4.28Å; D250-I252 PolarHBondContact O-N 2.92Å; I252-P254 WeakPolarHBondContact O-CD 3.43Å; I252-A257 HydrophobicContact CG2-CB 4.13Å; I252-Y263 WeakPolarHBondContact CA-OH 3.5Å; I252-Y263 HydrophobicContact CD1-CE1 4.26Å; I252-Y263 HydrophobicContact CG2-CE1 4.25Å; I252-Q264 WeakPolarHBondContact CD1-O 3.16Å; I252-N265 HydrophobicContact CD1-CB 4.38Å
253N97.8Very high95.7Very high8 Ų889.8 Ų89.84%0.04344%0.441CS..  trans-90.2112.1169-172.1-61.6000109.5L227 I228 H255 K256 A257 Y263 S266L227-N253 PolarHBondContact O-ND2 3.06Å; I228-N253 WeakPolarHBondContact O-CB 3.39Å; I228-N253 PolarHBondContact O-ND2 2.79Å; N253-H255 PolarHBondContact O-N 2.94Å; N253-H255 VanDerWaalsContact O-N 3.16Å; N253-H255 WeakPolarHBondContact OD1-CB 3.22Å; N253-H255 PolarHBondContact OD1-N 3.08Å; N253-H255 VanDerWaalsContact OD1-N 3.1Å; N253-K256 HydrophobicContact CB-CB 4.01Å; N253-K256 HydrophobicContact CB-CD 4.17Å; N253-K256 HydrophobicContact CB-CG 4.06Å; N253-K256 PolarHBondContact O-N 3.12Å; N253-K256 VanDerWaalsContact O-N 3.08Å; N253-K256 PolarHBondContact OD1-N 3.19Å; N253-K256 VanDerWaalsContact OD1-N 3.15Å; N253-A257 WeakPolarHBondContact O-CB 3.5Å; N253-A257 PolarHBondContact O-N 2.65Å; N253-Y263 PolarHBondContact N-OH 3.42Å; N253-S266 WeakPolarHBondContact CB-OG 3.31Å
254P94.4Very high95.5Very high46 Ų4692.2 Ų92.230%0.29945%0.448SS..Hα-helixtrans-60.8-30.9-174.4-24.934.8000113.6E230 I252 K258E230-P254 HydrophobicContact CG-CG 4.36Å; I252-P254 WeakPolarHBondContact O-CD 3.43Å; P254-K258 VanDerWaalsContact O-CG 3.31Å; P254-K258 WeakPolarHBondContact O-CG 3.41Å; P254-K258 PolarHBondContact O-N 3.34Å
255H93.8Very high95.5Very high130 Ų13088.8 Ų88.860%0.60243%0.43SS*.Hα-helixtrans-73.3-40176.9-74.4-71.8000112.1N253 R259N253-H255 PolarHBondContact O-N 2.94Å; N253-H255 VanDerWaalsContact O-N 3.16Å; N253-H255 WeakPolarHBondContact OD1-CB 3.22Å; N253-H255 PolarHBondContact OD1-N 3.08Å; N253-H255 VanDerWaalsContact OD1-N 3.1Å; H255-R259 WeakPolarHBondContact O-CB 3.27Å; H255-R259 WeakPolarHBondContact O-CG 3.36Å; H255-R259 PolarHBondContact O-N 3.1Å
256K95.2Very high95.6Very high56 Ų5687 Ų8724%0.24341%0.412CS..Hα-helixtrans-70.1-44.3177.1-68.5-173.4170-1730111.9D153 N253 K258 R259 H260 Y263D153-K256 IonicContact OD1-NZ 3.82Å; D153-K256 IonicContact OD2-NZ 3.86Å; D153-K256 PolarHBondContact OD2-NZ 3.18Å; N253-K256 HydrophobicContact CB-CB 4.01Å; N253-K256 HydrophobicContact CB-CD 4.17Å; N253-K256 HydrophobicContact CB-CG 4.06Å; N253-K256 PolarHBondContact O-N 3.12Å; N253-K256 VanDerWaalsContact O-N 3.08Å; N253-K256 PolarHBondContact OD1-N 3.19Å; N253-K256 VanDerWaalsContact OD1-N 3.15Å; K256-K258 PolarHBondContact O-N 3.26Å; K256-R259 PolarHBondContact O-N 2.77Å; K256-H260 PolarHBondContact O-CD2 2.83Å; K256-H260 PolarHBondContact O-N 3.34Å; K256-Y263 HydrophobicContact CB-CD2 3.69Å; K256-Y263 HydrophobicContact CB-CE2 3.69Å; K256-Y263 HydrophobicContact CB-CG 4.16Å; K256-Y263 HydrophobicContact CD-CD2 4.14Å; K256-Y263 HydrophobicContact CD-CE2 3.78Å; K256-Y263 HydrophobicContact CG-CE2 4.4Å
257A94.1Very high95.6Very high49 Ų4983.1 Ų83.141%0.40539%0.392SS..Hα-helixtrans-57.3-34.6179.100000112.6I252 N253 Y263I252-A257 HydrophobicContact CG2-CB 4.13Å; N253-A257 WeakPolarHBondContact O-CB 3.5Å; N253-A257 PolarHBondContact O-N 2.65Å; A257-Y263 HydrophobicContact CB-CD1 3.88Å; A257-Y263 HydrophobicContact CB-CE1 4Å
258K93.9Very high95.7Very high184 Ų18478.9 Ų78.980%0.838%0.377SS*.Hα-helixtrans-76.5-24.8175.3-71.5176.5-177.4179.80114.3P254 K256P254-K258 VanDerWaalsContact O-CG 3.31Å; P254-K258 WeakPolarHBondContact O-CG 3.41Å; P254-K258 PolarHBondContact O-N 3.34Å; K256-K258 PolarHBondContact O-N 3.26Å
259R93.1Very high95.7Very high199 Ų19976.1 Ų76.175%0.75136%0.358SS*.Hα-helixtrans-104.9-25.2-169.9-73.2-177.9174.5177.9-0114.4H255 K256H255-R259 WeakPolarHBondContact O-CB 3.27Å; H255-R259 WeakPolarHBondContact O-CG 3.36Å; H255-R259 PolarHBondContact O-N 3.1Å; K256-R259 PolarHBondContact O-N 2.77Å
260H92Very high95.8Very high111 Ų11178.1 Ų78.151%0.51437%0.367SS..  trans-119.5108.5-171.8-62.3-73.2000110.6K256 H262 Y263K256-H260 PolarHBondContact O-CD2 2.83Å; K256-H260 PolarHBondContact O-N 3.34Å; H260-H262 PolarHBondContact O-N 2.79Å; H260-H262 VanDerWaalsContact O-N 3.11Å; H260-Y263 VanDerWaalsContact O-CB 3.27Å; H260-Y263 WeakPolarHBondContact O-CB 3.43Å; H260-Y263 PolarHBondContact O-N 2.81Å
261K89.5Confident95.7Very high199 Ų19974.1 Ų74.187%0.86535%0.346SS*.THydrogen-bonded Turntrans-58-26.9-175.6-169.2178.1179.4-177.60114.6
262H92.9Very high95.7Very high169 Ų16977 Ų7778%0.78236%0.361SS*.THydrogen-bonded Turntrans-10815.4-179.2-59.3-66.1000113.2H260H260-H262 PolarHBondContact O-N 2.79Å; H260-H262 VanDerWaalsContact O-N 3.11Å
263Y95.6Very high95.7Very high48 Ų4876.5 Ų76.519%0.18836%0.359CS..  trans-67.3132.1176.1172.4-94.7000110.7L251 I252 N253 K256 A257 H260 N265 S266L251-Y263 PolarHBondContact O-OH 3.3Å; L251-Y263 VanDerWaalsContact O-OH 3.13Å; I252-Y263 WeakPolarHBondContact CA-OH 3.5Å; I252-Y263 HydrophobicContact CD1-CE1 4.26Å; I252-Y263 HydrophobicContact CG2-CE1 4.25Å; N253-Y263 PolarHBondContact N-OH 3.42Å; K256-Y263 HydrophobicContact CB-CD2 3.69Å; K256-Y263 HydrophobicContact CB-CE2 3.69Å; K256-Y263 HydrophobicContact CB-CG 4.16Å; K256-Y263 HydrophobicContact CD-CD2 4.14Å; K256-Y263 HydrophobicContact CD-CE2 3.78Å; K256-Y263 HydrophobicContact CG-CE2 4.4Å; A257-Y263 HydrophobicContact CB-CD1 3.88Å; A257-Y263 HydrophobicContact CB-CE1 4Å; H260-Y263 VanDerWaalsContact O-CB 3.27Å; H260-Y263 WeakPolarHBondContact O-CB 3.43Å; H260-Y263 PolarHBondContact O-N 2.81Å; Y263-N265 VanDerWaalsContact CE2-O 3.26Å; Y263-N265 WeakPolarHBondContact CE2-O 3.5Å; Y263-N265 VanDerWaalsContact CZ-C 3.46Å; Y263-N265 WeakPolarHBondContact OH-CA 3.42Å; Y263-S266 WeakPolarHBondContact CE2-OG 3.45Å; Y263-S266 PolarHBondContact OH-N 2.84Å; Y263-S266 PolarHBondContact OH-OG 2.85Å
264Q94.8Very high95.7Very high163 Ų16376.4 Ų76.476%0.76236%0.358SS*.  trans-106.3-66.4178.3-67.3179.8-11.100110.3I252I252-Q264 WeakPolarHBondContact CD1-O 3.16Å
265N97.6Very high95.8Very high46 Ų4680.8 Ų80.825%0.24637%0.369CS..  trans-150.9176.6176.564.246.6000110.4D250 L251 I252 Y263 G267D250-N265 HydrophobicContact CB-CB 3.89Å; D250-N265 PolarHBondContact OD1-ND2 2.72Å; L251-N265 CarbonylContact O-C 3.57Å; L251-N265 WeakPolarHBondContact O-CA 3.48Å; I252-N265 HydrophobicContact CD1-CB 4.38Å; Y263-N265 VanDerWaalsContact CE2-O 3.26Å; Y263-N265 WeakPolarHBondContact CE2-O 3.5Å; Y263-N265 VanDerWaalsContact CZ-C 3.46Å; Y263-N265 WeakPolarHBondContact OH-CA 3.42Å; N265-G267 PolarHBondContact OD1-N 2.69Å
266S98Very high95.7Very high0 Ų076.2 Ų76.20%035%0.349CS..SBendtrans-109.831.9174.2-60.20000110.9D153 I228 L251 N253 Y263D153-S266 PolarHBondContact N-O 3.15Å; D153-S266 WeakPolarHBondContact OD2-CA 3.35Å; D153-S266 WeakPolarHBondContact OD2-CB 3.35Å; D153-S266 PolarHBondContact OD2-OG 2.79Å; D153-S266 VanDerWaalsContact OD2-OG 3.06Å; I228-S266 WeakPolarHBondContact CG2-O 3.4Å; I228-S266 WeakPolarHBondContact O-CB 3.28Å; I228-S266 PolarHBondContact O-OG 3.02Å; L251-S266 PolarHBondContact O-N 2.83Å; N253-S266 WeakPolarHBondContact CB-OG 3.31Å; Y263-S266 WeakPolarHBondContact CE2-OG 3.45Å; Y263-S266 PolarHBondContact OH-N 2.84Å; Y263-S266 PolarHBondContact OH-OG 2.85Å
267G98.1Very high95.4Very high1 Ų175.4 Ų75.41%0.0135%0.346CS..  trans102-177.4-166.700000113R150 T151 L251 N265R150-G267 WeakPolarHBondContact O-CA 3.33Å; T151-G267 WeakPolarHBondContact O-CA 3.47Å; L251-G267 WeakPolarHBondContact CB-O 3.48Å; L251-G267 PolarHBondContact N-O 3.38Å; N265-G267 PolarHBondContact OD1-N 2.69Å
268T98.4Very high95Very high18 Ų1878 Ų7811%0.1135%0.348CS..EExtended strand (participates in β ladder)trans-129.5150.6-178.7670000112.4G149 R150 S248 L249 D250G149-T268 CarbonylContact C-O 3.56Å; G149-T268 WeakPolarHBondContact CA-O 3.4Å; R150-T268 PolarHBondContact N-O 3.48Å; R150-T268 PolarHBondContact O-N 3.32Å; S248-T268 WeakPolarHBondContact OG-CB 2.94Å; L249-T268 CarbonylContact O-C 3.56Å; L249-T268 WeakPolarHBondContact O-CA 3.32Å; L249-T268 WeakPolarHBondContact O-CB 3.25Å; D250-T268 VanDerWaalsContact OD1-CG2 3.31Å; D250-T268 WeakPolarHBondContact OD1-CG2 3.27Å
269L98.5Very high94.6Very high1 Ų170.4 Ų70.41%0.00532%0.317CS..EExtended strand (participates in β ladder)trans-92.9129161.4-60.8-178.5000108.6I147 S148 L165 W193 I214 I231 S248 L249 L251I147-L269 HydrophobicContact CG2-CB 4.08Å; I147-L269 HydrophobicContact CG2-CD2 4.19Å; I147-L269 HydrophobicContact CG2-CG 4.49Å; S148-L269 CarbonylContact O-C 3.37Å; S148-L269 WeakPolarHBondContact O-CA 3.31Å; L165-L269 HydrophobicContact CD2-CD1 4.36Å; L165-L269 HydrophobicContact CD2-CD2 3.8Å; W193-L269 HydrophobicContact CH2-CD2 4.02Å; W193-L269 HydrophobicContact CZ3-CD2 3.85Å; I214-L269 HydrophobicContact CB-CD1 4.45Å; I214-L269 HydrophobicContact CG2-CD1 3.81Å; I231-L269 HydrophobicContact CD1-CD1 4.04Å; I231-L269 HydrophobicContact CG1-CD1 4.42Å; S248-L269 WeakPolarHBondContact CA-O 3.15Å; L249-L269 HydrophobicContact CB-CB 4.29Å; L249-L269 PolarHBondContact N-O 3.33Å; L249-L269 PolarHBondContact O-N 2.97Å; L251-L269 HydrophobicContact CD1-CD2 3.89Å; L251-L269 HydrophobicContact CD1-CG 4Å; L251-L269 HydrophobicContact CD2-CD1 3.96Å; L251-L269 HydrophobicContact CD2-CD2 4.36Å; L251-L269 HydrophobicContact CD2-CG 3.85Å; L251-L269 HydrophobicContact CG-CD2 4.38Å; L251-L269 HydrophobicContact CG-CG 3.94Å
270H98.2Very high94.4Very high61 Ų6162.1 Ų62.128%0.28229%0.286SS..EExtended strand (participates in β ladder)trans-104.1122.3175.1-167.163.3000109.8I147 S148 R150 Y247 N272I147-H270 WeakPolarHBondContact CA-O 3.3Å; S148-H270 PolarHBondContact N-O 2.94Å; S148-H270 PolarHBondContact O-N 3.09Å; R150-H270 HydrophobicContact CG-CB 4.42Å; Y247-H270 VanDerWaalsContact CB-CE1 3.45Å; Y247-H270 WeakPolarHBondContact CB-CE1 3.25Å; Y247-H270 CarbonylContact O-C 3.51Å; Y247-H270 WeakPolarHBondContact O-CA 3.27Å; Y247-H270 PolarHBondContact O-ND1 2.75Å; H270-N272 PolarHBondContact CD2-OD1 3.33Å; H270-N272 VanDerWaalsContact CD2-OD1 3.26Å; H270-N272 PolarHBondContact O-N 2.65Å
271L98Very high94.2Very high3 Ų357.2 Ų57.22%0.01626%0.264CS..EExtended strand (participates in β ladder)trans-84.7102.2178.8-58.9177000109.3I147 L238 F242 Y247 L249 V274I147-L271 HydrophobicContact CD1-CD2 4.14Å; I147-L271 HydrophobicContact CG1-CD2 4.02Å; L238-L271 HydrophobicContact CD2-CD1 4.07Å; L238-L271 HydrophobicContact CD2-CD2 4.02Å; F242-L271 HydrophobicContact CD2-CB 4.09Å; Y247-L271 PolarHBondContact O-N 3.02Å; L249-L271 HydrophobicContact CD1-CD1 3.8Å; L249-L271 HydrophobicContact CD1-CD2 3.83Å; L249-L271 HydrophobicContact CD1-CG 3.83Å; L271-V274 HydrophobicContact CB-CG2 4.06Å; L271-V274 HydrophobicContact CD1-CG2 3.98Å; L271-V274 HydrophobicContact CD2-CG2 4.14Å; L271-V274 HydrophobicContact CG-CG2 4.28Å
272N97.8Very high94.3Very high59 Ų5948.5 Ų48.532%0.31623%0.226SC..EExtended strand (participates in β ladder)trans-81.2-34.7177.1-58.2-43.8000111.4D146 S148 H270D146-N272 HydrophobicContact CB-CB 3.85Å; D146-N272 VanDerWaalsContact CG-CB 3.45Å; D146-N272 WeakPolarHBondContact O-CB 3.26Å; D146-N272 PolarHBondContact O-N 3.23Å; D146-N272 PolarHBondContact OD1-ND2 2.92Å; S148-N272 PolarHBondContact OG-ND2 3.14Å; H270-N272 PolarHBondContact CD2-OD1 3.33Å; H270-N272 VanDerWaalsContact CD2-OD1 3.26Å; H270-N272 PolarHBondContact O-N 2.65Å
273L98.1Very high94.1Very high56 Ų5640.6 Ų40.629%0.29319%0.19SC..EExtended strand (participates in β ladder)trans-148.2133.4175.2-179.964000109.6T144 L145 D146T144-L273 HydrophobicContact CG2-CD2 3.85Å; L145-L273 WeakPolarHBondContact CA-O 3.46Å; D146-L273 HydrophobicContact CB-CB 3.67Å; D146-L273 PolarHBondContact N-O 2.87Å; D146-L273 PolarHBondContact O-N 3.22Å; D146-L273 VanDerWaalsContact O-N 3.16Å
274V97.7Very high93.7Very high6 Ų640.8 Ų40.84%0.03619%0.192CC..EExtended strand (participates in β ladder)trans-131.3120.4164.1-173.80000108.1L143 L145 L238 L239 F242 L271L143-V274 HydrophobicContact CD1-CG1 3.99Å; L145-V274 HydrophobicContact CD2-CB 4.27Å; L145-V274 HydrophobicContact CD2-CG1 3.98Å; L145-V274 HydrophobicContact CD2-CG2 3.84Å; L238-V274 HydrophobicContact CB-CG1 4.04Å; L239-V274 HydrophobicContact CB-CG1 4.28Å; L239-V274 HydrophobicContact CD1-CG1 4.31Å; F242-V274 HydrophobicContact CB-CB 3.77Å; F242-V274 HydrophobicContact CB-CG2 3.77Å; F242-V274 HydrophobicContact CD1-CB 4.13Å; F242-V274 HydrophobicContact CD2-CB 4.26Å; F242-V274 HydrophobicContact CD2-CG2 3.9Å; F242-V274 HydrophobicContact CG-CB 3.8Å; F242-V274 HydrophobicContact CG-CG2 3.86Å; L271-V274 HydrophobicContact CB-CG2 4.06Å; L271-V274 HydrophobicContact CD1-CG2 3.98Å; L271-V274 HydrophobicContact CD2-CG2 4.14Å; L271-V274 HydrophobicContact CG-CG2 4.28Å
275R95.8Very high93.6Very high137 Ų13733.3 Ų33.352%0.51716%0.157SC..EExtended strand (participates in β ladder)trans-141.2127.1176.6-175.9-177.4-177.2-171.6-6.6109.5T144 E277T144-R275 PolarHBondContact N-O 3.02Å; T144-R275 PolarHBondContact O-N 3.11Å; R275-E277 WeakPolarHBondContact CD-OE1 3.18Å; R275-E277 HydrophobicContact CG-CG 3.98Å; R275-E277 IonicContact CZ-OE1 3.84Å; R275-E277 IonicContact NE-OE1 3.03Å; R275-E277 PolarHBondContact NE-OE1 3.23Å; R275-E277 IonicContact NH1-OE1 3.94Å; R275-E277 PolarHBondContact NH1-OE1 3.34Å; R275-E277 IonicContact NH2-OE1 3.82Å; R275-E277 PolarHBondContact NH2-OE1 2.89Å; R275-E277 VanDerWaalsContact NH2-OE1 3.1Å
276I93.2Very high93.4Very high35 Ų3531.6 Ų31.618%0.17915%0.148CC..EExtended strand (participates in β ladder)trans-97.6124.1166.3-61.5179.6000107D141 E142 L143 L200 A235 L239D141-I276 HydrophobicContact CB-CG2 4.32Å; E142-I276 WeakPolarHBondContact O-CA 3.45Å; L143-I276 HydrophobicContact CD1-CG1 3.77Å; L200-I276 HydrophobicContact CD1-CD1 4.36Å; L200-I276 HydrophobicContact CD1-CG2 3.93Å; A235-I276 HydrophobicContact CB-CD1 3.92Å; L239-I276 HydrophobicContact CB-CD1 4.27Å; L239-I276 HydrophobicContact CD2-CB 4.34Å; L239-I276 HydrophobicContact CD2-CD1 3.91Å; L239-I276 HydrophobicContact CD2-CG1 4.17Å
277E89.2Confident92.9Very high38 Ų3834.1 Ų34.118%0.17816%0.16CC..EExtended strand (participates in β ladder)trans-111.2126.2174.1-65.3-176.1166.300108.9D141 E142 R275 V279 R523D141-E277 CarbonylContact C-O 3.49Å; D141-E277 VanDerWaalsContact CA-O 3.29Å; D141-E277 WeakPolarHBondContact CA-O 3.44Å; E142-E277 PolarHBondContact N-O 3.34Å; E142-E277 PolarHBondContact O-N 3.28Å; R275-E277 WeakPolarHBondContact CD-OE1 3.18Å; R275-E277 HydrophobicContact CG-CG 3.98Å; R275-E277 IonicContact CZ-OE1 3.84Å; R275-E277 IonicContact NE-OE1 3.03Å; R275-E277 PolarHBondContact NE-OE1 3.23Å; R275-E277 IonicContact NH1-OE1 3.94Å; R275-E277 PolarHBondContact NH1-OE1 3.34Å; R275-E277 IonicContact NH2-OE1 3.82Å; R275-E277 PolarHBondContact NH2-OE1 2.89Å; R275-E277 VanDerWaalsContact NH2-OE1 3.1Å; E277-V279 PolarHBondContact O-N 3.03Å; E277-R523 IonicContact OE2-CZ 3.33Å; E277-R523 IonicContact OE2-NE 2.97Å; E277-R523 IonicContact OE2-NH2 2.94Å; E277-R523 PolarHBondContact OE2-NH2 3.31Å
278K85.5Confident92.5Very high103 Ų10334.2 Ų34.245%0.44816%0.161SC..PPolyproline II helixtrans-69.9121.7164.9-179.3162.2-178.6179.40108.3D141 Y280 E284D141-K278 WeakPolarHBondContact OD1-CA 3.24Å; D141-K278 WeakPolarHBondContact OD1-CG 3.14Å; K278-Y280 HydrophobicContact CB-CE2 4.28Å; K278-Y280 HydrophobicContact CD-CD1 4.27Å; K278-Y280 HydrophobicContact CD-CE1 3.57Å; K278-Y280 HydrophobicContact CD-CE2 4.43Å; K278-Y280 HydrophobicContact CG-CD1 4.27Å; K278-Y280 HydrophobicContact CG-CD2 4.43Å; K278-Y280 HydrophobicContact CG-CE1 3.9Å; K278-Y280 HydrophobicContact CG-CE2 4.03Å; K278-E284 IonicContact NZ-OE1 2.77Å
279V85Confident92.1Very high26 Ų2635.2 Ų35.216%0.15818%0.175CC..PPolyproline II helixtrans-98.8120.8173.4-177.10000107.4K140 E142 E277K140-V279 HydrophobicContact CB-CB 4.22Å; K140-V279 WeakPolarHBondContact CB-O 3.35Å; K140-V279 WeakPolarHBondContact O-CB 3.47Å; K140-V279 WeakPolarHBondContact O-CG2 3.12Å; E142-V279 HydrophobicContact CB-CG2 4.12Å; E142-V279 HydrophobicContact CG-CG2 3.71Å; E277-V279 PolarHBondContact O-N 3.03Å
280Y87.9Confident91.9Very high24 Ų2435.3 Ų35.39%0.09418%0.176CC..PPolyproline II helixtrans-91.6143.6-179.5-61.2-86000110.8K278 E284 K528 P529 T532K278-Y280 HydrophobicContact CB-CE2 4.28Å; K278-Y280 HydrophobicContact CD-CD1 4.27Å; K278-Y280 HydrophobicContact CD-CE1 3.57Å; K278-Y280 HydrophobicContact CD-CE2 4.43Å; K278-Y280 HydrophobicContact CG-CD1 4.27Å; K278-Y280 HydrophobicContact CG-CD2 4.43Å; K278-Y280 HydrophobicContact CG-CE1 3.9Å; K278-Y280 HydrophobicContact CG-CE2 4.03Å; Y280-E284 WeakPolarHBondContact CA-OE2 3.41Å; Y280-E284 HydrophobicContact CD1-CB 4.45Å; Y280-K528 HydrophobicContact CE2-CB 4.15Å; Y280-K528 HydrophobicContact CE2-CD 4.4Å; Y280-K528 HydrophobicContact CE2-CG 3.9Å; Y280-P529 VanDerWaalsContact CD1-CD 3.46Å; Y280-P529 HydrophobicContact CD1-CG 3.49Å; Y280-P529 VanDerWaalsContact CD1-CG 3.49Å; Y280-P529 HydrophobicContact CD2-CG 4.42Å; Y280-P529 HydrophobicContact CE1-CG 4Å; Y280-P529 VanDerWaalsContact CG-CD 3.44Å; Y280-P529 HydrophobicContact CG-CG 3.71Å; Y280-T532 HydrophobicContact CE1-CG2 4Å
281S87.5Confident91.7Very high9 Ų934.3 Ų34.36%0.06317%0.171CC..PPolyproline II helixtrans-78.9164.1174.8820000112.1E135 L283 E284 Y285E135-S281 WeakPolarHBondContact OE2-CB 3.24Å; E135-S281 PolarHBondContact OE2-OG 3.47Å; S281-L283 VanDerWaalsContact C-N 3.31Å; S281-L283 PolarHBondContact O-N 2.99Å; S281-L283 PolarHBondContact OG-N 3.41Å; S281-E284 PolarHBondContact N-OE2 2.93Å; S281-E284 PolarHBondContact O-N 3.48Å; S281-E284 PolarHBondContact OG-N 2.8Å; S281-Y285 WeakPolarHBondContact O-CD2 3.45Å; S281-Y285 PolarHBondContact O-N 2.82Å; S281-Y285 VanDerWaalsContact O-N 3.15Å
282F91.5Very high91.5Very high15 Ų1534.2 Ų34.27%0.06617%0.171CC..Hα-helixtrans-54.1-47.1169.5169.2-98.1000112F72 E284 Y285 V286 L292 Y338 P515 L518 V519F72-F282 AromaticContact CD2-CE1 3.53Å; F72-F282 HydrophobicContact CD2-CE1 3.53Å; F72-F282 AromaticContact CD2-CZ 3.51Å; F72-F282 HydrophobicContact CD2-CZ 3.51Å; F72-F282 HydrophobicContact CE2-CE1 4.03Å; F72-F282 HydrophobicContact CE2-CE2 4.39Å; F72-F282 AromaticContact CE2-CZ 3.51Å; F72-F282 HydrophobicContact CE2-CZ 3.51Å; F72-F282 HydrophobicContact CG-CE1 4.2Å; F72-F282 HydrophobicContact CG-CZ 4.33Å; F72-F282 HydrophobicContact CZ-CZ 4.31Å; F282-E284 VanDerWaalsContact C-N 3.34Å; F282-E284 PolarHBondContact O-N 3.21Å; F282-Y285 PolarHBondContact O-N 2.88Å; F282-Y285 VanDerWaalsContact O-N 3.14Å; F282-V286 HydrophobicContact CD1-CG2 4.38Å; F282-V286 HydrophobicContact CD2-CG2 4.3Å; F282-V286 HydrophobicContact CE1-CG2 3.89Å; F282-V286 HydrophobicContact CE2-CG2 3.82Å; F282-V286 HydrophobicContact CZ-CG2 3.59Å; F282-V286 WeakPolarHBondContact O-CG2 3.35Å; F282-V286 PolarHBondContact O-N 2.82Å; F282-L292 HydrophobicContact CE2-CD1 4.26Å; F282-L292 HydrophobicContact CE2-CD2 4.48Å; F282-L292 HydrophobicContact CZ-CD1 4.03Å; F282-Y338 HydrophobicContact CE1-CD1 4.48Å; F282-Y338 HydrophobicContact CE1-CE1 4.23Å; F282-Y338 HydrophobicContact CZ-CD1 4.4Å; F282-P515 HydrophobicContact CB-CB 3.85Å; F282-P515 HydrophobicContact CD1-CB 4.48Å; F282-P515 HydrophobicContact CD2-CB 4.02Å; F282-P515 HydrophobicContact CD2-CG 4.47Å; F282-P515 HydrophobicContact CG-CB 3.86Å; F282-P515 HydrophobicContact CG-CG 4.37Å; F282-L518 HydrophobicContact CD2-CB 4.49Å; F282-L518 HydrophobicContact CD2-CD1 4.09Å; F282-L518 HydrophobicContact CD2-CD2 4.47Å; F282-L518 HydrophobicContact CE2-CD1 3.94Å; F282-V519 HydrophobicContact CB-CG2 4.25Å
283L89Confident91.3Very high4 Ų431.8 Ų31.82%0.02116%0.158CC..Hα-helixtrans-62.4-39.6178.2-74.8-175.5000112T9 V11 Y70 A109 S281 Y285 V286 Q287T9-L283 HydrophobicContact CG2-CD1 3.65Å; V11-L283 HydrophobicContact CG1-CD1 3.91Å; Y70-L283 HydrophobicContact CD1-CD1 3.92Å; Y70-L283 HydrophobicContact CD1-CD2 4.36Å; Y70-L283 HydrophobicContact CD1-CG 4.26Å; Y70-L283 HydrophobicContact CE1-CD1 4.08Å; Y70-L283 HydrophobicContact CE1-CD2 3.7Å; Y70-L283 HydrophobicContact CE1-CG 3.92Å; Y70-L283 HydrophobicContact CE2-CD2 4.24Å; Y70-L283 HydrophobicContact CG-CD1 4.26Å; A109-L283 HydrophobicContact CB-CD1 4.41Å; A109-L283 HydrophobicContact CB-CD2 3.87Å; S281-L283 VanDerWaalsContact C-N 3.31Å; S281-L283 PolarHBondContact O-N 2.99Å; S281-L283 PolarHBondContact OG-N 3.41Å; L283-Y285 VanDerWaalsContact C-N 3.28Å; L283-Y285 PolarHBondContact O-N 2.65Å; L283-V286 PolarHBondContact O-N 2.8Å; L283-Q287 VanDerWaalsContact O-CB 3.26Å; L283-Q287 WeakPolarHBondContact O-CB 3.3Å; L283-Q287 VanDerWaalsContact O-CG 3.25Å; L283-Q287 WeakPolarHBondContact O-CG 3.32Å; L283-Q287 PolarHBondContact O-N 2.96Å
284E88.5Confident91.2Very high51 Ų5129.1 Ų29.124%0.23815%0.145CC..Hα-helixtrans-60.6-38175.3-76178.611200111.7K278 Y280 S281 F282 G288 P529K278-E284 IonicContact NZ-OE1 2.77Å; Y280-E284 WeakPolarHBondContact CA-OE2 3.41Å; Y280-E284 HydrophobicContact CD1-CB 4.45Å; S281-E284 PolarHBondContact N-OE2 2.93Å; S281-E284 PolarHBondContact O-N 3.48Å; S281-E284 PolarHBondContact OG-N 2.8Å; F282-E284 VanDerWaalsContact C-N 3.34Å; F282-E284 PolarHBondContact O-N 3.21Å; E284-G288 WeakPolarHBondContact O-CA 3.34Å; E284-G288 PolarHBondContact O-N 2.87Å; E284-P529 HydrophobicContact CB-CG 4.12Å; E284-P529 WeakPolarHBondContact O-CB 3.4Å
285Y92.8Very high91.2Very high6 Ų629 Ų292%0.02414%0.144CC..Hα-helixtrans-67.4-46.4174.9-77.4-68.8000112.6S281 F282 L283 G288 G289 T290 L518 V519 M522 I527 P529S281-Y285 WeakPolarHBondContact O-CD2 3.45Å; S281-Y285 PolarHBondContact O-N 2.82Å; S281-Y285 VanDerWaalsContact O-N 3.15Å; F282-Y285 PolarHBondContact O-N 2.88Å; F282-Y285 VanDerWaalsContact O-N 3.14Å; L283-Y285 VanDerWaalsContact C-N 3.28Å; L283-Y285 PolarHBondContact O-N 2.65Å; Y285-G288 CarbonylContact O-C 3.58Å; Y285-G288 WeakPolarHBondContact O-CA 3.37Å; Y285-G288 PolarHBondContact O-N 3.45Å; Y285-G289 PolarHBondContact O-N 2.98Å; Y285-T290 WeakPolarHBondContact O-CB 3.23Å; Y285-T290 PolarHBondContact O-N 3.19Å; Y285-T290 PolarHBondContact O-OG1 2.86Å; Y285-L518 HydrophobicContact CD2-CD2 3.97Å; Y285-L518 HydrophobicContact CG-CD2 4.04Å; Y285-V519 HydrophobicContact CD2-CG2 4.16Å; Y285-V519 HydrophobicContact CE2-CG2 4.24Å; Y285-M522 HydrophobicContact CD1-CB 4.27Å; Y285-M522 HydrophobicContact CD1-CE 4.37Å; Y285-M522 HydrophobicContact CD1-CG 3.82Å; Y285-M522 HydrophobicContact CD1-SD 4.37Å; Y285-M522 HydrophobicContact CD2-CG 4.26Å; Y285-M522 HydrophobicContact CE1-CB 3.52Å; Y285-M522 HydrophobicContact CE1-CG 3.58Å; Y285-M522 HydrophobicContact CE1-SD 4.28Å; Y285-M522 HydrophobicContact CE2-CB 3.82Å; Y285-M522 HydrophobicContact CE2-CG 4.05Å; Y285-M522 HydrophobicContact CG-CG 4.17Å; Y285-M522 VanDerWaalsContact OH-CB 3.28Å; Y285-M522 WeakPolarHBondContact OH-CB 3.45Å; Y285-I527 WeakPolarHBondContact CE1-O 3.03Å; Y285-I527 PolarHBondContact OH-O 3.23Å; Y285-P529 HydrophobicContact CD1-CB 4.34Å; Y285-P529 HydrophobicContact CD1-CG 3.86Å; Y285-P529 HydrophobicContact CE1-CG 3.96Å; Y285-P529 HydrophobicContact CG-CG 4.3Å
286V92.2Very high91.3Very high10 Ų1022.6 Ų22.66%0.06112%0.12CC..Hα-helixtrans-65.7-50.5-179.41770000111.1F282 L283 G288 G289 Y338F282-V286 HydrophobicContact CD1-CG2 4.38Å; F282-V286 HydrophobicContact CD2-CG2 4.3Å; F282-V286 HydrophobicContact CE1-CG2 3.89Å; F282-V286 HydrophobicContact CE2-CG2 3.82Å; F282-V286 HydrophobicContact CZ-CG2 3.59Å; F282-V286 WeakPolarHBondContact O-CG2 3.35Å; F282-V286 PolarHBondContact O-N 2.82Å; L283-V286 PolarHBondContact O-N 2.8Å; V286-G288 PolarHBondContact O-N 2.71Å; V286-G289 PolarHBondContact O-N 3.44Å; V286-Y338 HydrophobicContact CG1-CD1 4.2Å
287Q88.3Confident91.5Very high53 Ų5320.9 Ų20.925%0.24811%0.111CC..Hα-helixtrans-60.9-30.5172.8-67.7-178.2-7.700111.9A109 A133 L283 G289A109-Q287 WeakPolarHBondContact O-CG 3.29Å; A109-Q287 PolarHBondContact O-NE2 2.56Å; A133-Q287 PolarHBondContact O-NE2 2.73Å; L283-Q287 VanDerWaalsContact O-CB 3.26Å; L283-Q287 WeakPolarHBondContact O-CB 3.3Å; L283-Q287 VanDerWaalsContact O-CG 3.25Å; L283-Q287 WeakPolarHBondContact O-CG 3.32Å; L283-Q287 PolarHBondContact O-N 2.96Å; Q287-G289 PolarHBondContact O-N 3.38Å
288G89.1Confident92Very high3 Ų319.1 Ų19.13%0.03110%0.103CC..THydrogen-bonded Turntrans-64.4-12172.500000114E284 Y285 V286 L530 N531E284-G288 WeakPolarHBondContact O-CA 3.34Å; E284-G288 PolarHBondContact O-N 2.87Å; Y285-G288 CarbonylContact O-C 3.58Å; Y285-G288 WeakPolarHBondContact O-CA 3.37Å; Y285-G288 PolarHBondContact O-N 3.45Å; V286-G288 PolarHBondContact O-N 2.71Å; G288-L530 VanDerWaalsContact O-CB 3.27Å; G288-L530 WeakPolarHBondContact O-CB 3.32Å; G288-L530 PolarHBondContact O-N 2.96Å; G288-N531 PolarHBondContact O-N 2.9Å; G288-N531 PolarHBondContact O-ND2 2.82Å
289G90.6Very high92.5Very high39 Ų3914.2 Ų14.240%0.4028%0.082SC..THydrogen-bonded Turntrans103.913.1-17900000114.8Y285 V286 Q287 E291Y285-G289 PolarHBondContact O-N 2.98Å; V286-G289 PolarHBondContact O-N 3.44Å; Q287-G289 PolarHBondContact O-N 3.38Å; G289-E291 PolarHBondContact O-N 3.41Å
290T93.9Very high93.1Very high4 Ų413 Ų133%0.0257%0.074CC..PPolyproline II helixtrans-75.2118.7170.7-53.30000109.3Y285 G416 L518 M522Y285-T290 WeakPolarHBondContact O-CB 3.23Å; Y285-T290 PolarHBondContact O-N 3.19Å; Y285-T290 PolarHBondContact O-OG1 2.86Å; T290-G416 WeakPolarHBondContact CG2-O 3.48Å; T290-G416 PolarHBondContact OG1-O 3.25Å; T290-L518 HydrophobicContact CG2-CD1 4.25Å; T290-M522 HydrophobicContact CG2-CE 3.6Å
291E93.2Very high93.5Very high40 Ų4012 Ų1219%0.1877%0.07CC..EExtended strand (participates in β ladder)trans-91.2137.3178.1-179170.8-136.400111.8G289 S340 D341 S417 Q418 Y419G289-E291 PolarHBondContact O-N 3.41Å; E291-S340 WeakPolarHBondContact OE1-CB 3.07Å; E291-S340 PolarHBondContact OE1-N 2.77Å; E291-S340 PolarHBondContact OE1-OG 2.77Å; E291-D341 PolarHBondContact OE1-N 3.02Å; E291-S417 PolarHBondContact N-O 3.03Å; E291-Q418 CarbonylContact O-C 3.05Å; E291-Q418 WeakPolarHBondContact O-CA 3.42Å; E291-Y419 PolarHBondContact O-N 3.11Å
292L94.7Very high93.8Very high0 Ų014.5 Ų14.50%09%0.092CC..EExtended strand (participates in β ladder)trans-89.5126.8169.5-60.5-167.5000109.8F72 F282 I335 Y338 D339 Y419 I421 L518F72-L292 HydrophobicContact CE2-CD1 3.83Å; F72-L292 HydrophobicContact CZ-CD1 3.99Å; F282-L292 HydrophobicContact CE2-CD1 4.26Å; F282-L292 HydrophobicContact CE2-CD2 4.48Å; F282-L292 HydrophobicContact CZ-CD1 4.03Å; L292-I335 HydrophobicContact CB-CG2 4.42Å; L292-Y338 HydrophobicContact CD1-CG 4.08Å; L292-Y338 PolarHBondContact N-O 3.29Å; L292-D339 WeakPolarHBondContact O-CA 2.96Å; L292-D339 WeakPolarHBondContact O-CB 3.14Å; L292-Y419 HydrophobicContact CD2-CD1 4.36Å; L292-I421 HydrophobicContact CD1-CD1 4.18Å; L292-L518 HydrophobicContact CD2-CD1 3.64Å
293S94.4Very high93.9Very high8 Ų817.4 Ų17.46%0.05611%0.114CC..EExtended strand (participates in β ladder)trans-117.1114.1175.4-176.30000110.6Y419 S420 I421S293-Y419 PolarHBondContact N-O 2.93Å; S293-S420 CarbonylContact O-C 3.51Å; S293-S420 WeakPolarHBondContact O-CA 3.36Å; S293-I421 PolarHBondContact O-N 2.99Å
294C95.8Very high94.2Very high1 Ų117.3 Ų17.31%0.00711%0.114CC..EExtended strand (participates in β ladder)trans-97112.3-177.9-171.70000111.9I335 F344 P345 I421C294-I335 HydrophobicContact CB-CB 4.37Å; C294-I335 HydrophobicContact CB-CG2 3.71Å; C294-F344 HydrophobicContact CB-CD1 3.9Å; C294-F344 HydrophobicContact CB-CE1 3.8Å; C294-P345 WeakPolarHBondContact O-CD 3.33Å; C294-I421 CarbonylContact C-O 3.16Å; C294-I421 WeakPolarHBondContact CA-O 3.41Å
295C97.2Very high94.4Very high4 Ų416 Ų163%0.02711%0.114CC..EExtended strand (participates in β ladder)trans-90.6127.3168.9-176.60000110.6P345 F347 V406 I421 L422 L423C295-P345 CarbonylContact C-O 3.56Å; C295-P345 VanDerWaalsContact CA-O 3.3Å; C295-P345 WeakPolarHBondContact CA-O 3.39Å; C295-P345 HydrophobicContact CB-CB 4.3Å; C295-P345 PolarHBondContact SG-O 3.14Å; C295-P345 VanDerWaalsContact SG-O 3.36Å; C295-F347 WeakPolarHBondContact SG-CD2 3.26Å; C295-F347 VanDerWaalsContact SG-CE2 3.6Å; C295-V406 HydrophobicContact CB-CG1 4.15Å; C295-V406 HydrophobicContact CB-CG2 3.89Å; C295-V406 WeakPolarHBondContact SG-CG2 3.2Å; C295-I421 PolarHBondContact N-O 3.46Å; C295-L422 CarbonylContact O-C 3.49Å; C295-L422 WeakPolarHBondContact O-CA 3.37Å; C295-L423 PolarHBondContact O-N 3.25Å
296I98.1Very high94.4Very high1 Ų118.5 Ų18.51%0.00513%0.132CC..EExtended strand (participates in β ladder)trans-99.2134.5179-64.5153.7000109.3I298 L328 F344 P345 F347 A380I296-I298 HydrophobicContact CG2-CD1 4.05Å; I296-I298 HydrophobicContact CG2-CG1 3.73Å; I296-L328 HydrophobicContact CB-CD1 4.47Å; I296-L328 HydrophobicContact CD1-CD1 3.44Å; I296-L328 VanDerWaalsContact CD1-CD1 3.44Å; I296-L328 HydrophobicContact CG1-CD1 3.8Å; I296-L328 HydrophobicContact CG2-CD1 3.85Å; I296-F344 HydrophobicContact CD1-CB 3.89Å; I296-F344 HydrophobicContact CD1-CD1 3.84Å; I296-F344 HydrophobicContact CD1-CG 4.19Å; I296-F344 HydrophobicContact CG1-CD1 4.48Å; I296-P345 PolarHBondContact N-O 3.37Å; I296-F347 PolarHBondContact O-N 3.42Å; I296-A380 HydrophobicContact CD1-CB 3.7Å
297A98.2Very high94.5Very high0 Ų018.9 Ų18.90%014%0.135CC..EExtended strand (participates in β ladder)trans-128.4118.3172.800000109.8F347 F349 I402 L422 L423 I424 L425A297-F347 CarbonylContact C-O 3.6Å; A297-F347 VanDerWaalsContact CA-O 3.32Å; A297-F347 WeakPolarHBondContact CA-O 3.32Å; A297-F349 HydrophobicContact CB-CD1 4.2Å; A297-F349 HydrophobicContact CB-CE1 4.03Å; A297-I402 HydrophobicContact CB-CD1 4.4Å; A297-I402 HydrophobicContact CB-CG1 3.67Å; A297-L422 HydrophobicContact CB-CD1 3.77Å; A297-L423 PolarHBondContact N-O 3.03Å; A297-I424 HydrophobicContact CB-CG1 4.25Å; A297-I424 WeakPolarHBondContact O-CA 3.42Å; A297-L425 PolarHBondContact O-N 3.21Å
298I98.1Very high94.6Very high1 Ų123 Ų231%0.00515%0.154CC..EExtended strand (participates in β ladder)trans-113.1131.6-177.7-56.5178.7000109.9I296 F300 Y324 L328 F347 G348 F349 L365 Y384 L425I296-I298 HydrophobicContact CG2-CD1 4.05Å; I296-I298 HydrophobicContact CG2-CG1 3.73Å; I298-F300 HydrophobicContact CB-CD2 4.39Å; I298-F300 HydrophobicContact CB-CE2 3.79Å; I298-F300 HydrophobicContact CG2-CD2 4.17Å; I298-F300 HydrophobicContact CG2-CE2 3.65Å; I298-F300 HydrophobicContact CG2-CZ 4.23Å; I298-F300 VanDerWaalsContact O-CD2 3.26Å; I298-F300 WeakPolarHBondContact O-CD2 3.41Å; I298-Y324 HydrophobicContact CG2-CD1 3.86Å; I298-Y324 HydrophobicContact CG2-CE1 4.14Å; I298-L328 HydrophobicContact CD1-CD2 3.98Å; I298-F347 PolarHBondContact N-O 2.87Å; I298-G348 CarbonylContact O-C 3.45Å; I298-G348 VanDerWaalsContact O-CA 3.25Å; I298-G348 WeakPolarHBondContact O-CA 3.4Å; I298-F349 WeakPolarHBondContact O-CD1 3.35Å; I298-F349 PolarHBondContact O-N 3.03Å; I298-L365 HydrophobicContact CB-CD1 4.48Å; I298-L365 HydrophobicContact CD1-CD1 3.63Å; I298-L365 HydrophobicContact CG1-CD1 4.12Å; I298-Y384 HydrophobicContact CD1-CD2 3.45Å; I298-Y384 VanDerWaalsContact CD1-CD2 3.45Å; I298-Y384 HydrophobicContact CD1-CE2 4.16Å; I298-Y384 HydrophobicContact CD1-CG 3.77Å; I298-Y384 HydrophobicContact CG2-CD2 4.01Å; I298-Y384 HydrophobicContact CG2-CE2 3.84Å; I298-L425 HydrophobicContact CG1-CD1 4.37Å
299D97.3Very high94.9Very high0 Ų026.5 Ų26.50%018%0.175CC..EExtended strand (participates in β ladder)trans-73.2126.7174.3-164.9-20.7000111.3T301 H314 Y324 F349 L425 T426D299-T301 WeakPolarHBondContact OD1-CB 3.37Å; D299-T301 WeakPolarHBondContact OD1-CG2 3.34Å; D299-T301 PolarHBondContact OD1-N 2.75Å; D299-T301 PolarHBondContact OD1-OG1 3.46Å; D299-H314 PolarHBondContact O-CE1 3.36Å; D299-H314 PolarHBondContact O-NE2 3.18Å; D299-Y324 HydrophobicContact CB-CE1 4.25Å; D299-F349 VanDerWaalsContact CA-CZ 3.48Å; D299-F349 HydrophobicContact CB-CD2 4.48Å; D299-F349 HydrophobicContact CB-CE1 4.21Å; D299-F349 HydrophobicContact CB-CE2 3.59Å; D299-F349 HydrophobicContact CB-CZ 3.44Å; D299-F349 VanDerWaalsContact CB-CZ 3.44Å; D299-F349 VanDerWaalsContact CG-CE2 3.49Å; D299-L425 WeakPolarHBondContact CB-O 3.44Å; D299-L425 PolarHBondContact N-O 3Å; D299-T426 WeakPolarHBondContact OD2-CB 3.49Å; D299-T426 PolarHBondContact OD2-OG1 3.11Å
300F96.8Very high95Very high0 Ų029 Ų290%018%0.184CC..  trans-117.321.3173.5-74.5-99.7000111.3I298 F349 G350 A351 F363 L365 Y384 L388 V391 F393 H394I298-F300 HydrophobicContact CB-CD2 4.39Å; I298-F300 HydrophobicContact CB-CE2 3.79Å; I298-F300 HydrophobicContact CG2-CD2 4.17Å; I298-F300 HydrophobicContact CG2-CE2 3.65Å; I298-F300 HydrophobicContact CG2-CZ 4.23Å; I298-F300 VanDerWaalsContact O-CD2 3.26Å; I298-F300 WeakPolarHBondContact O-CD2 3.41Å; F300-F349 PolarHBondContact N-O 3.4Å; F300-G350 CarbonylContact C-O 3.55Å; F300-A351 HydrophobicContact CB-CB 3.87Å; F300-F363 AromaticContact CD2-CZ 3.9Å; F300-F363 HydrophobicContact CD2-CZ 3.9Å; F300-F363 HydrophobicContact CE2-CZ 4.31Å; F300-F363 HydrophobicContact CG-CZ 4.22Å; F300-L365 HydrophobicContact CE2-CD2 3.49Å; F300-L365 VanDerWaalsContact CE2-CD2 3.49Å; F300-L365 HydrophobicContact CZ-CD2 3.81Å; F300-Y384 AromaticContact CZ-CD2 3.85Å; F300-Y384 HydrophobicContact CZ-CD2 3.85Å; F300-Y384 HydrophobicContact CZ-CE2 4.16Å; F300-L388 HydrophobicContact CD1-CD2 4.3Å; F300-L388 HydrophobicContact CE1-CD2 3.7Å; F300-L388 HydrophobicContact CE1-CG 4.13Å; F300-L388 HydrophobicContact CZ-CD2 4.49Å; F300-V391 HydrophobicContact CB-CG2 4.37Å; F300-V391 HydrophobicContact CD1-CG2 3.55Å; F300-V391 HydrophobicContact CE1-CG2 4.07Å; F300-V391 HydrophobicContact CG-CG2 4.11Å; F300-F393 HydrophobicContact CB-CD1 4.32Å; F300-F393 HydrophobicContact CB-CE1 4.48Å; F300-F393 HydrophobicContact CD1-CD1 4.08Å; F300-F393 AromaticContact CD1-CE1 3.5Å; F300-F393 HydrophobicContact CD1-CE1 3.5Å; F300-F393 AromaticContact CD1-CZ 3.89Å; F300-F393 HydrophobicContact CD1-CZ 3.89Å; F300-F393 HydrophobicContact CE1-CE1 4.25Å; F300-F393 HydrophobicContact CG-CE1 4.45Å; F300-F393 WeakPolarHBondContact O-CA 3.5Å; F300-F393 WeakPolarHBondContact O-CB 3.36Å; F300-F393 WeakPolarHBondContact O-CD2 3.49Å; F300-F393 WeakPolarHBondContact O-CG 3.49Å; F300-H394 PolarHBondContact O-N 3.14Å
301T95.7Very high94.8Very high2 Ų232.5 Ų32.51%0.01222%0.221CC..  trans-66.4155.2-177.558.90000112.3D299 S303 N304 G350 H394 T397 D427D299-T301 WeakPolarHBondContact OD1-CB 3.37Å; D299-T301 WeakPolarHBondContact OD1-CG2 3.34Å; D299-T301 PolarHBondContact OD1-N 2.75Å; D299-T301 PolarHBondContact OD1-OG1 3.46Å; T301-S303 PolarHBondContact O-N 3.36Å; T301-S303 VanDerWaalsContact O-N 3.13Å; T301-S303 PolarHBondContact OG1-OG 2.83Å; T301-S303 VanDerWaalsContact OG1-OG 3.07Å; T301-N304 WeakPolarHBondContact O-CB 3.34Å; T301-N304 PolarHBondContact O-N 2.75Å; T301-N304 VanDerWaalsContact O-N 3.14Å; T301-N304 PolarHBondContact O-ND2 3.29Å; T301-N304 PolarHBondContact OG1-ND2 3Å; T301-N304 VanDerWaalsContact OG1-ND2 3.15Å; T301-G350 WeakPolarHBondContact CA-O 3.45Å; T301-G350 PolarHBondContact N-O 2.98Å; T301-H394 VanDerWaalsContact CA-O 3.3Å; T301-H394 WeakPolarHBondContact CA-O 3.49Å; T301-T397 HydrophobicContact CG2-CG2 4.41Å; T301-T397 WeakPolarHBondContact CG2-OG1 3.11Å; T301-D427 PolarHBondContact OG1-OD1 2.99Å
302A94.5Very high94.8Very high62 Ų6232 Ų3251%0.51222%0.22SC..G310 helixtrans-62.4-21.9-174.400000114.2N304 G305A302-N304 PolarHBondContact O-N 2.77Å; A302-G305 PolarHBondContact O-N 2.94Å
303S94.2Very high94.8Very high77 Ų7733.3 Ų33.354%0.53823%0.227SC..G310 helixtrans-62.8-28.5176.344.50000112.8T301 G305 D427T301-S303 PolarHBondContact O-N 3.36Å; T301-S303 VanDerWaalsContact O-N 3.13Å; T301-S303 PolarHBondContact OG1-OG 2.83Å; T301-S303 VanDerWaalsContact OG1-OG 3.07Å; S303-G305 PolarHBondContact O-N 2.9Å; S303-G305 VanDerWaalsContact O-N 3.15Å; S303-D427 WeakPolarHBondContact CB-OD2 3.19Å; S303-D427 PolarHBondContact OG-OD1 3.2Å; S303-D427 PolarHBondContact OG-OD2 3.29Å
304N94.9Very high94.9Very high2 Ų233 Ų331%0.01123%0.225CC..G310 helixtrans-66.1-17.3177.6-73-82.7000113.8T301 A302 T312 L313 H314 Y324 F393 D427T301-N304 WeakPolarHBondContact O-CB 3.34Å; T301-N304 PolarHBondContact O-N 2.75Å; T301-N304 VanDerWaalsContact O-N 3.14Å; T301-N304 PolarHBondContact O-ND2 3.29Å; T301-N304 PolarHBondContact OG1-ND2 3Å; T301-N304 VanDerWaalsContact OG1-ND2 3.15Å; A302-N304 PolarHBondContact O-N 2.77Å; N304-T312 WeakPolarHBondContact O-CB 3.47Å; N304-L313 HydrophobicContact CB-CB 4.48Å; N304-L313 PolarHBondContact O-N 2.85Å; N304-L313 VanDerWaalsContact O-N 3.12Å; N304-H314 VanDerWaalsContact CB-CD2 3.44Å; N304-H314 WeakPolarHBondContact CB-CD2 3.08Å; N304-H314 WeakPolarHBondContact CB-NE2 3.15Å; N304-Y324 WeakPolarHBondContact OD1-CE2 3.26Å; N304-Y324 VanDerWaalsContact OD1-CZ 3.31Å; N304-Y324 PolarHBondContact OD1-OH 3.13Å; N304-F393 HydrophobicContact CB-CD2 4.44Å; N304-F393 HydrophobicContact CB-CE2 4.27Å; N304-D427 PolarHBondContact N-OD2 3.17Å; N304-D427 PolarHBondContact ND2-OD1 3.01Å; N304-D427 VanDerWaalsContact OD1-CB 3.27Å; N304-D427 WeakPolarHBondContact OD1-CB 3.41Å; N304-D427 VanDerWaalsContact OD1-CG 3.3Å
305G92.8Very high94.8Very high24 Ų2436.7 Ų36.725%0.24724%0.239CC..  trans74.3174.4-176.300000113.6A302 S303 F393A302-G305 PolarHBondContact O-N 2.94Å; S303-G305 PolarHBondContact O-N 2.9Å; S303-G305 VanDerWaalsContact O-N 3.15Å; G305-F393 WeakPolarHBondContact O-CD2 3.43Å; G305-F393 WeakPolarHBondContact O-CE2 3.36Å
306S92.9Very high94.6Very high57 Ų5739.4 Ų39.440%0.39926%0.258SS..  trans-71.7131.4-179.2172.40000111.5Q308 V309 T312S306-Q308 PolarHBondContact O-N 3.44Å; S306-Q308 PolarHBondContact OG-N 2.86Å; S306-V309 PolarHBondContact O-N 3.37Å; S306-T312 WeakPolarHBondContact O-CB 3.42Å; S306-T312 WeakPolarHBondContact O-CG2 3.32Å; S306-T312 PolarHBondContact O-OG1 3Å
307P93Very high94.2Very high19 Ų1941.8 Ų41.812%0.12327%0.273CS..THydrogen-bonded Turntrans-65.1-9.8177.326.6-34.1000113.6H314 Y315 L388 F393P307-H314 HydrophobicContact CB-CB 3.97Å; P307-Y315 WeakPolarHBondContact O-CD2 3.43Å; P307-L388 HydrophobicContact CB-CD2 4.13Å; P307-L388 HydrophobicContact CG-CD2 4.34Å; P307-F393 HydrophobicContact CG-CE1 4.39Å; P307-F393 HydrophobicContact CG-CZ 4Å
308Q91.7Very high93.6Very high139 Ų13949.2 Ų49.265%0.6532%0.318SS*.THydrogen-bonded Turntrans-89.6-10.7177-55.5-56.1-36.900113.3S306S306-Q308 PolarHBondContact O-N 3.44Å; S306-Q308 PolarHBondContact OG-N 2.86Å
309V94.3Very high93Very high76 Ų7655 Ų5546%0.46135%0.353SS..SBendtrans-101.4120.6-175.4176.60000109.3S306 G311 T312S306-V309 PolarHBondContact O-N 3.37Å; V309-G311 PolarHBondContact O-N 2.91Å; V309-T312 HydrophobicContact CB-CG2 3.86Å; V309-T312 HydrophobicContact CG1-CG2 4.12Å; V309-T312 WeakPolarHBondContact O-CG2 3.41Å; V309-T312 PolarHBondContact O-N 2.96Å; V309-T312 PolarHBondContact O-OG1 3.26Å
310P93.2Very high92.5Very high93 Ų9361.4 Ų61.460%0.60438%0.383SS*.THydrogen-bonded Turntrans-54.1136.1175.4-25.733.7000112.5Y315P310-Y315 HydrophobicContact CB-CD1 4.47Å; P310-Y315 HydrophobicContact CB-CE1 4.11Å; P310-Y315 HydrophobicContact CB-CE2 4.3Å; P310-Y315 HydrophobicContact CG-CE1 4.39Å; P310-Y315 HydrophobicContact CG-CE2 3.87Å
311G89.6Confident92.2Very high77 Ų7764.4 Ų64.479%0.79440%0.403SS*.THydrogen-bonded Turntrans90.8-4.7179.400000115.2V309V309-G311 PolarHBondContact O-N 2.91Å
312T94.5Very high92Very high29 Ų2964.5 Ų64.518%0.17840%0.403CS..SBendtrans-79.4162.6168.265.70000111.1N304 S306 V309 H314 Y315N304-T312 WeakPolarHBondContact O-CB 3.47Å; S306-T312 WeakPolarHBondContact O-CB 3.42Å; S306-T312 WeakPolarHBondContact O-CG2 3.32Å; S306-T312 PolarHBondContact O-OG1 3Å; V309-T312 HydrophobicContact CB-CG2 3.86Å; V309-T312 HydrophobicContact CG1-CG2 4.12Å; V309-T312 WeakPolarHBondContact O-CG2 3.41Å; V309-T312 PolarHBondContact O-N 2.96Å; V309-T312 PolarHBondContact O-OG1 3.26Å; T312-H314 PolarHBondContact O-N 3.32Å; T312-Y315 WeakPolarHBondContact O-CB 3.41Å; T312-Y315 PolarHBondContact O-N 2.65Å; T312-Y315 WeakPolarHBondContact OG1-CB 3.27Å
313L94.8Very high91.9Very high28 Ų2864 Ų6415%0.14739%0.39CS..THydrogen-bonded Turntrans-74.8-27.4-166-61.1177.8000113.7N304 S322 Y324 D427N304-L313 HydrophobicContact CB-CB 4.48Å; N304-L313 PolarHBondContact O-N 2.85Å; N304-L313 VanDerWaalsContact O-N 3.12Å; L313-S322 WeakPolarHBondContact O-CB 3.49Å; L313-Y324 HydrophobicContact CB-CD2 4.34Å; L313-Y324 HydrophobicContact CB-CE2 3.88Å; L313-D427 HydrophobicContact CD1-CB 3.23Å
314H95.8Very high92Very high0 Ų060.4 Ų60.40%037%0.365CS..THydrogen-bonded Turntrans-91.3-6.1172.9-63.6-77.2000113.9D299 N304 P307 T312 S316 S322 Y324 Y384 L388 F393D299-H314 PolarHBondContact O-CE1 3.36Å; D299-H314 PolarHBondContact O-NE2 3.18Å; N304-H314 VanDerWaalsContact CB-CD2 3.44Å; N304-H314 WeakPolarHBondContact CB-CD2 3.08Å; N304-H314 WeakPolarHBondContact CB-NE2 3.15Å; P307-H314 HydrophobicContact CB-CB 3.97Å; T312-H314 PolarHBondContact O-N 3.32Å; H314-S316 PolarHBondContact O-N 3.25Å; H314-S322 WeakPolarHBondContact O-CB 3.44Å; H314-Y324 AromaticContact CE1-CD1 3.85Å; H314-Y324 AromaticContact CE1-CD2 3.56Å; H314-Y324 AromaticContact CE1-CE1 3.85Å; H314-Y324 AromaticContact CE1-CE2 3.57Å; H314-Y324 AromaticContact CE1-CG 3.71Å; H314-Y324 AromaticContact CE1-CZ 3.71Å; H314-Y324 AromaticContact ND1-CD2 3.61Å; H314-Y324 AromaticContact ND1-CG 3.77Å; H314-Y324 AromaticContact NE2-CE2 3.81Å; H314-Y324 AromaticContact NE2-CZ 3.99Å; H314-Y384 AromaticContact ND1-CE2 3.62Å; H314-Y384 AromaticContact ND1-CZ 3.64Å; H314-Y384 PolarHBondContact ND1-OH 3.24Å; H314-L388 HydrophobicContact CB-CD1 4.48Å; H314-L388 HydrophobicContact CB-CD2 3.68Å; H314-F393 AromaticContact CD2-CE2 3.45Å; H314-F393 VanDerWaalsContact CD2-CE2 3.45Å; H314-F393 WeakPolarHBondContact CD2-CE2 3.4Å; H314-F393 AromaticContact CD2-CZ 3.81Å; H314-F393 AromaticContact NE2-CE2 3.96Å
315Y94.1Very high91.9Very high80 Ų8060.5 Ų60.531%0.31437%0.366SS..  trans-59.4126.2179.9-179.3-99.1000110.4P307 P310 T312 T317 S322P307-Y315 WeakPolarHBondContact O-CD2 3.43Å; P310-Y315 HydrophobicContact CB-CD1 4.47Å; P310-Y315 HydrophobicContact CB-CE1 4.11Å; P310-Y315 HydrophobicContact CB-CE2 4.3Å; P310-Y315 HydrophobicContact CG-CE1 4.39Å; P310-Y315 HydrophobicContact CG-CE2 3.87Å; T312-Y315 WeakPolarHBondContact O-CB 3.41Å; T312-Y315 PolarHBondContact O-N 2.65Å; T312-Y315 WeakPolarHBondContact OG1-CB 3.27Å; Y315-T317 HydrophobicContact CE1-CG2 3.64Å; Y315-S322 WeakPolarHBondContact O-CB 3.44Å
316S91.3Very high91.9Very high60 Ų6060 Ų6042%0.4236%0.358SS..  trans-136.7145.6-179.962.20000110.4H314 Q320H314-S316 PolarHBondContact O-N 3.25Å; S316-Q320 WeakPolarHBondContact CA-O 3.19Å
317T89.5Confident91.9Very high51 Ų5157.2 Ų57.231%0.31334%0.339SS..  trans-116.3173.3169.169.90000109.8Y315 T319 Q320Y315-T317 HydrophobicContact CE1-CG2 3.64Å; T317-T319 PolarHBondContact O-N 3.1Å; T317-T319 PolarHBondContact OG1-N 3.19Å; T317-T319 PolarHBondContact OG1-OG1 2.98Å; T317-Q320 PolarHBondContact N-O 3.06Å; T317-Q320 CarbonylContact O-C 3.48Å; T317-Q320 PolarHBondContact O-N 3.1Å; T317-Q320 WeakPolarHBondContact OG1-CB 3.42Å; T317-Q320 PolarHBondContact OG1-N 3.27Å
318V86Confident92Very high157 Ų15756.4 Ų56.495%0.95233%0.334SS*.SBendtrans-58.1-31.5175.7178.20000112
319T85.7Confident92Very high121 Ų12151.9 Ų51.974%0.74231%0.313SS*.SBendtrans-103.7-15.6-175.954.60000113.8T317T317-T319 PolarHBondContact O-N 3.1Å; T317-T319 PolarHBondContact OG1-N 3.19Å; T317-T319 PolarHBondContact OG1-OG1 2.98Å
320Q87.5Confident91.8Very high136 Ų13648.4 Ų48.464%0.63629%0.292SS*.SBendtrans-132.697.1-178.4-67.3-175.2-1800109.7S316 T317S316-Q320 WeakPolarHBondContact CA-O 3.19Å; T317-Q320 PolarHBondContact N-O 3.06Å; T317-Q320 CarbonylContact O-C 3.48Å; T317-Q320 PolarHBondContact O-N 3.1Å; T317-Q320 WeakPolarHBondContact OG1-CB 3.42Å; T317-Q320 PolarHBondContact OG1-N 3.27Å
321P90.2Very high91.8Very high62 Ų6244 Ų4440%0.40326%0.263SS..  trans-63.6153.6171.926.4-33.5000111.2A325 V326P321-A325 HydrophobicContact CB-CB 3.87Å; P321-V326 HydrophobicContact CB-CG2 4.09Å; P321-V326 HydrophobicContact CG-CG2 3.62Å
322S92.5Very high92Very high4 Ų440.4 Ų40.43%0.02823%0.226CC..  trans-65.8160.7172.548.30000111.6L313 H314 Y315 Y324 A325 V326 Y384L313-S322 WeakPolarHBondContact O-CB 3.49Å; H314-S322 WeakPolarHBondContact O-CB 3.44Å; Y315-S322 WeakPolarHBondContact O-CB 3.44Å; S322-Y324 PolarHBondContact O-N 3.44Å; S322-A325 WeakPolarHBondContact O-CB 3.19Å; S322-A325 PolarHBondContact O-N 3.49Å; S322-A325 WeakPolarHBondContact OG-CB 3.27Å; S322-A325 PolarHBondContact OG-N 3.28Å; S322-V326 WeakPolarHBondContact O-CG2 3.38Å; S322-V326 PolarHBondContact O-N 2.95Å; S322-Y384 PolarHBondContact OG-OH 3.03Å
323Q91.6Very high91.8Very high52 Ų5241.2 Ų41.224%0.24323%0.228CC..Hα-helixtrans-58.5-39.6177.1-65.2-177.926.700111.5V326 A327 V455 F490Q323-V326 PolarHBondContact O-N 2.93Å; Q323-A327 WeakPolarHBondContact O-CB 3.15Å; Q323-A327 PolarHBondContact O-N 2.86Å; Q323-V455 HydrophobicContact CB-CG1 3.54Å; Q323-V455 HydrophobicContact CG-CG1 4.41Å; Q323-F490 HydrophobicContact CB-CD1 4.07Å; Q323-F490 HydrophobicContact CB-CE1 3.79Å; Q323-F490 HydrophobicContact CB-CZ 4.14Å; Q323-F490 HydrophobicContact CG-CD1 4.08Å; Q323-F490 HydrophobicContact CG-CE1 3.67Å; Q323-F490 HydrophobicContact CG-CZ 4.37Å
324Y95.2Very high91.7Very high1 Ų140.1 Ų40.10%0.00422%0.222CC..Hα-helixtrans-56.1-49.1170.7-79.2-89.9000112.8I298 D299 N304 L313 H314 S322 V326 A327 L328 Y384 L425 T426 D427 V455I298-Y324 HydrophobicContact CG2-CD1 3.86Å; I298-Y324 HydrophobicContact CG2-CE1 4.14Å; D299-Y324 HydrophobicContact CB-CE1 4.25Å; N304-Y324 WeakPolarHBondContact OD1-CE2 3.26Å; N304-Y324 VanDerWaalsContact OD1-CZ 3.31Å; N304-Y324 PolarHBondContact OD1-OH 3.13Å; L313-Y324 HydrophobicContact CB-CD2 4.34Å; L313-Y324 HydrophobicContact CB-CE2 3.88Å; H314-Y324 AromaticContact CE1-CD1 3.85Å; H314-Y324 AromaticContact CE1-CD2 3.56Å; H314-Y324 AromaticContact CE1-CE1 3.85Å; H314-Y324 AromaticContact CE1-CE2 3.57Å; H314-Y324 AromaticContact CE1-CG 3.71Å; H314-Y324 AromaticContact CE1-CZ 3.71Å; H314-Y324 AromaticContact ND1-CD2 3.61Å; H314-Y324 AromaticContact ND1-CG 3.77Å; H314-Y324 AromaticContact NE2-CE2 3.81Å; H314-Y324 AromaticContact NE2-CZ 3.99Å; S322-Y324 PolarHBondContact O-N 3.44Å; Y324-V326 VanDerWaalsContact C-N 3.33Å; Y324-V326 PolarHBondContact O-N 2.78Å; Y324-A327 PolarHBondContact O-N 3.28Å; Y324-L328 WeakPolarHBondContact O-CB 3.26Å; Y324-L328 PolarHBondContact O-N 3.31Å; Y324-Y384 WeakPolarHBondContact CB-OH 3.48Å; Y324-L425 HydrophobicContact CD1-CB 3.5Å; Y324-L425 VanDerWaalsContact CD1-CB 3.5Å; Y324-L425 HydrophobicContact CD1-CD1 4.04Å; Y324-L425 HydrophobicContact CD1-CG 4.43Å; Y324-L425 HydrophobicContact CE1-CB 3.57Å; Y324-L425 WeakPolarHBondContact CE1-O 3.43Å; Y324-T426 WeakPolarHBondContact OH-CA 3.35Å; Y324-D427 PolarHBondContact OH-N 3.02Å; Y324-V455 HydrophobicContact CD2-CB 4.43Å; Y324-V455 HydrophobicContact CD2-CG1 3.86Å; Y324-V455 HydrophobicContact CD2-CG2 4.47Å; Y324-V455 HydrophobicContact CE1-CG2 4.39Å; Y324-V455 HydrophobicContact CE2-CB 3.98Å; Y324-V455 HydrophobicContact CE2-CG1 3.68Å; Y324-V455 HydrophobicContact CE2-CG2 4.33Å
325A94Very high91.5Very high5 Ų540.1 Ų40.14%0.04122%0.222CC..Hα-helixtrans-63.2-39.3178.700000112P321 S322 Q329 M381 Y384P321-A325 HydrophobicContact CB-CB 3.87Å; S322-A325 WeakPolarHBondContact O-CB 3.19Å; S322-A325 PolarHBondContact O-N 3.49Å; S322-A325 WeakPolarHBondContact OG-CB 3.27Å; S322-A325 PolarHBondContact OG-N 3.28Å; A325-Q329 WeakPolarHBondContact O-CB 3.34Å; A325-Q329 PolarHBondContact O-N 2.81Å; A325-M381 HydrophobicContact CB-CE 3.79Å; A325-M381 HydrophobicContact CB-SD 4.5Å; A325-Y384 HydrophobicContact CB-CE1 4.22Å
326V91.8Very high91.4Very high12 Ų1237.8 Ų37.87%0.07322%0.218CC..Hα-helixtrans-65.3-48.2176.1175.50000111.1P321 S322 Q323 Y324 Q329 A330 F490 K503P321-V326 HydrophobicContact CB-CG2 4.09Å; P321-V326 HydrophobicContact CG-CG2 3.62Å; S322-V326 WeakPolarHBondContact O-CG2 3.38Å; S322-V326 PolarHBondContact O-N 2.95Å; Q323-V326 PolarHBondContact O-N 2.93Å; Y324-V326 VanDerWaalsContact C-N 3.33Å; Y324-V326 PolarHBondContact O-N 2.78Å; V326-Q329 PolarHBondContact O-N 2.84Å; V326-A330 VanDerWaalsContact O-CB 3.24Å; V326-A330 WeakPolarHBondContact O-CB 3.43Å; V326-A330 PolarHBondContact O-N 3.32Å; V326-F490 HydrophobicContact CB-CE2 4.28Å; V326-F490 HydrophobicContact CB-CZ 4.03Å; V326-F490 HydrophobicContact CG1-CE2 4.07Å; V326-F490 HydrophobicContact CG1-CZ 3.87Å; V326-K503 HydrophobicContact CG1-CG 4.14Å
327A93.1Very high91.3Very high0 Ų036.2 Ų36.20%021%0.205CC..Hα-helixtrans-62.1-50.2179.400000111.3Q323 Y324 Q329 A330 V331 L425 V453 F490 L506Q323-A327 WeakPolarHBondContact O-CB 3.15Å; Q323-A327 PolarHBondContact O-N 2.86Å; Y324-A327 PolarHBondContact O-N 3.28Å; A327-Q329 VanDerWaalsContact C-N 3.35Å; A327-Q329 PolarHBondContact O-N 3.05Å; A327-A330 PolarHBondContact O-N 3.24Å; A327-V331 WeakPolarHBondContact O-CG2 3.24Å; A327-V331 PolarHBondContact O-N 3.43Å; A327-V331 VanDerWaalsContact O-N 3.1Å; A327-L425 HydrophobicContact CB-CD1 4.35Å; A327-L425 HydrophobicContact CB-CD2 3.91Å; A327-V453 HydrophobicContact CB-CG1 4.25Å; A327-F490 HydrophobicContact CB-CD2 3.95Å; A327-F490 HydrophobicContact CB-CE2 3.92Å; A327-L506 HydrophobicContact CB-CD2 4.07Å
328L94.7Very high91.3Very high1 Ų134.3 Ų34.31%0.00519%0.192CC..Hα-helixtrans-53.3-53.2176.4173.953.1000111.2I296 I298 Y324 A330 G332 I377 M381 L425I296-L328 HydrophobicContact CB-CD1 4.47Å; I296-L328 HydrophobicContact CD1-CD1 3.44Å; I296-L328 VanDerWaalsContact CD1-CD1 3.44Å; I296-L328 HydrophobicContact CG1-CD1 3.8Å; I296-L328 HydrophobicContact CG2-CD1 3.85Å; I298-L328 HydrophobicContact CD1-CD2 3.98Å; Y324-L328 WeakPolarHBondContact O-CB 3.26Å; Y324-L328 PolarHBondContact O-N 3.31Å; L328-A330 PolarHBondContact O-N 3.01Å; L328-G332 PolarHBondContact O-N 3.33Å; L328-I377 HydrophobicContact CD1-CD1 3.61Å; L328-I377 HydrophobicContact CG-CD1 3.89Å; L328-M381 HydrophobicContact CB-SD 4.09Å; L328-M381 HydrophobicContact CD2-CG 4.15Å; L328-M381 HydrophobicContact CD2-SD 3.44Å; L328-M381 WeakPolarHBondContact CD2-SD 3.46Å; L328-M381 HydrophobicContact CG-CG 4.39Å; L328-M381 HydrophobicContact CG-SD 3.66Å; L328-L425 HydrophobicContact CB-CD1 3.91Å
329Q92.9Very high91.5Very high45 Ų4527.2 Ų27.221%0.2115%0.148CC..Hα-helixtrans-62.9-44-178.4-171.7-178.79.800112A325 V326 A327 V331 E333 M381A325-Q329 WeakPolarHBondContact O-CB 3.34Å; A325-Q329 PolarHBondContact O-N 2.81Å; V326-Q329 PolarHBondContact O-N 2.84Å; A327-Q329 VanDerWaalsContact C-N 3.35Å; A327-Q329 PolarHBondContact O-N 3.05Å; Q329-V331 PolarHBondContact O-N 3.33Å; Q329-E333 HydrophobicContact CG-CG 4.14Å; Q329-E333 VanDerWaalsContact CG-OE1 3.26Å; Q329-E333 WeakPolarHBondContact CG-OE1 3.07Å; Q329-E333 PolarHBondContact NE2-OE1 3.01Å; Q329-E333 VanDerWaalsContact O-CB 3.3Å; Q329-E333 WeakPolarHBondContact O-CB 3.34Å; Q329-E333 WeakPolarHBondContact O-CG 3.25Å; Q329-E333 PolarHBondContact O-N 2.99Å; Q329-M381 HydrophobicContact CB-CE 4.5Å; Q329-M381 HydrophobicContact CB-SD 4.42Å
330A90.7Very high91.5Very high3 Ų326.5 Ų26.53%0.02515%0.148CC..Hα-helixtrans-62-45-176.800000112.3V326 A327 L328 K503 L506 T507V326-A330 VanDerWaalsContact O-CB 3.24Å; V326-A330 WeakPolarHBondContact O-CB 3.43Å; V326-A330 PolarHBondContact O-N 3.32Å; A327-A330 PolarHBondContact O-N 3.24Å; L328-A330 PolarHBondContact O-N 3.01Å; A330-K503 HydrophobicContact CB-CB 3.99Å; A330-K503 HydrophobicContact CB-CD 4.15Å; A330-K503 HydrophobicContact CB-CG 3.84Å; A330-L506 HydrophobicContact CB-CD2 4.38Å; A330-T507 HydrophobicContact CB-CG2 3.72Å; A330-T507 VanDerWaalsContact O-CG2 3.25Å; A330-T507 WeakPolarHBondContact O-CG2 3.39Å
331V92.3Very high91.6Very high0 Ų023.5 Ų23.50%014%0.137CC..Hα-helixtrans-73.8-44.6-179.1-176.80000110.9A327 Q329 E333 I334 I335 L423 V510 L511A327-V331 WeakPolarHBondContact O-CG2 3.24Å; A327-V331 PolarHBondContact O-N 3.43Å; A327-V331 VanDerWaalsContact O-N 3.1Å; Q329-V331 PolarHBondContact O-N 3.33Å; V331-E333 VanDerWaalsContact C-N 3.33Å; V331-E333 PolarHBondContact O-N 3Å; V331-I334 PolarHBondContact O-N 3.1Å; V331-I335 HydrophobicContact CG1-CG1 4.33Å; V331-I335 PolarHBondContact O-N 3.04Å; V331-I335 VanDerWaalsContact O-N 3.14Å; V331-L423 HydrophobicContact CB-CD2 3.89Å; V331-L423 HydrophobicContact CG1-CD1 4.43Å; V331-L423 HydrophobicContact CG1-CD2 3.93Å; V331-L423 HydrophobicContact CG2-CD1 4.42Å; V331-L423 HydrophobicContact CG2-CD2 4.28Å; V331-V510 HydrophobicContact CG1-CG1 4.24Å; V331-V510 HydrophobicContact CG2-CG1 3.64Å; V331-L511 HydrophobicContact CG1-CD2 4.1Å
332G92.9Very high91.7Very high2 Ų223.5 Ų23.52%0.02113%0.133CC..Hα-helixtrans-63.6-35.2-179.300000113.8L328 I334 S336L328-G332 PolarHBondContact O-N 3.33Å; G332-I334 VanDerWaalsContact C-N 3.25Å; G332-I334 PolarHBondContact O-N 3.08Å; G332-S336 WeakPolarHBondContact O-CB 3.25Å; G332-S336 PolarHBondContact O-N 2.86Å; G332-S336 PolarHBondContact O-OG 3.39Å
333E91.9Very high91.8Very high45 Ų4526 Ų2621%0.2115%0.146CC..Hα-helixtrans-63.2-27.6176.8-79.7170.3165.800113.3Q75 Q329 V331 S336 K503Q75-E333 PolarHBondContact NE2-O 2.69Å; Q75-E333 VanDerWaalsContact NE2-O 3.09Å; Q329-E333 HydrophobicContact CG-CG 4.14Å; Q329-E333 VanDerWaalsContact CG-OE1 3.26Å; Q329-E333 WeakPolarHBondContact CG-OE1 3.07Å; Q329-E333 PolarHBondContact NE2-OE1 3.01Å; Q329-E333 VanDerWaalsContact O-CB 3.3Å; Q329-E333 WeakPolarHBondContact O-CB 3.34Å; Q329-E333 WeakPolarHBondContact O-CG 3.25Å; Q329-E333 PolarHBondContact O-N 2.99Å; V331-E333 VanDerWaalsContact C-N 3.33Å; V331-E333 PolarHBondContact O-N 3Å; E333-S336 PolarHBondContact O-OG 2.84Å; E333-K503 IonicContact OE1-NZ 2.95Å; E333-K503 IonicContact OE2-NZ 2.97Å; E333-K503 PolarHBondContact OE2-NZ 3.08Å
334I91.3Very high92.1Very high6 Ų623.6 Ų23.63%0.03114%0.135CC..Hα-helixtrans-86.7-48.2177.4-67.8167.9000110.4F72 E73 Q75 V331 G332 S336 D337 Y338 T507 L511F72-I334 WeakPolarHBondContact O-CG2 3.26Å; E73-I334 VanDerWaalsContact O-CD1 3.24Å; E73-I334 WeakPolarHBondContact O-CD1 3.28Å; Q75-I334 HydrophobicContact CB-CG1 4.19Å; V331-I334 PolarHBondContact O-N 3.1Å; G332-I334 VanDerWaalsContact C-N 3.25Å; G332-I334 PolarHBondContact O-N 3.08Å; I334-S336 PolarHBondContact O-N 3.46Å; I334-D337 PolarHBondContact O-N 2.74Å; I334-D337 VanDerWaalsContact O-N 3.12Å; I334-Y338 HydrophobicContact CG2-CE2 4.14Å; I334-Y338 VanDerWaalsContact O-CD2 3.26Å; I334-Y338 WeakPolarHBondContact O-CD2 3.41Å; I334-Y338 WeakPolarHBondContact O-CE2 3.36Å; I334-T507 HydrophobicContact CD1-CG2 3.39Å; I334-T507 WeakPolarHBondContact CD1-OG1 3.46Å; I334-L511 HydrophobicContact CB-CD1 3.85Å; I334-L511 HydrophobicContact CD1-CD1 3.81Å; I334-L511 HydrophobicContact CG1-CD1 4.48Å; I334-L511 HydrophobicContact CG2-CD1 3.55Å
335I91.4Very high92.1Very high0 Ų023.6 Ų23.60%014%0.135CC..Hα-helixtrans-63.5-29.1-177.4-59-61.9000111.6F72 L292 C294 V331 D337 Y338 D339 I421 L511F72-I335 HydrophobicContact CE2-CD1 4.4Å; F72-I335 HydrophobicContact CZ-CD1 3.7Å; L292-I335 HydrophobicContact CB-CG2 4.42Å; C294-I335 HydrophobicContact CB-CB 4.37Å; C294-I335 HydrophobicContact CB-CG2 3.71Å; V331-I335 HydrophobicContact CG1-CG1 4.33Å; V331-I335 PolarHBondContact O-N 3.04Å; V331-I335 VanDerWaalsContact O-N 3.14Å; I335-D337 PolarHBondContact O-N 3.19Å; I335-D337 VanDerWaalsContact O-N 3.09Å; I335-Y338 PolarHBondContact O-N 2.87Å; I335-D339 PolarHBondContact O-N 3.21Å; I335-D339 VanDerWaalsContact O-N 3.12Å; I335-I421 HydrophobicContact CD1-CD1 3.84Å; I335-L511 HydrophobicContact CD1-CD1 4.36Å; I335-L511 HydrophobicContact CD1-CD2 3.87Å; I335-L511 HydrophobicContact CG1-CD2 4.39Å
336S92.2Very high92.3Very high31 Ų3123.3 Ų23.322%0.21713%0.133CC..THydrogen-bonded Turntrans-58.4-22.417659.20000114.5G332 E333 I334 Y338G332-S336 WeakPolarHBondContact O-CB 3.25Å; G332-S336 PolarHBondContact O-N 2.86Å; G332-S336 PolarHBondContact O-OG 3.39Å; E333-S336 PolarHBondContact O-OG 2.84Å; I334-S336 PolarHBondContact O-N 3.46Å; S336-Y338 PolarHBondContact O-N 2.89Å
337D89.2Confident92.6Very high27 Ų2723.5 Ų23.514%0.14413%0.133CC..THydrogen-bonded Turntrans-74.1-12.9176.1-70.2-1.1000112.5T104 S110 I334 I335T104-D337 VanDerWaalsContact CB-OD2 3.28Å; T104-D337 WeakPolarHBondContact CB-OD2 3.28Å; T104-D337 VanDerWaalsContact OG1-CG 3.25Å; T104-D337 PolarHBondContact OG1-OD2 2.85Å; S110-D337 WeakPolarHBondContact CB-O 3.4Å; S110-D337 PolarHBondContact OG-O 2.86Å; I334-D337 PolarHBondContact O-N 2.74Å; I334-D337 VanDerWaalsContact O-N 3.12Å; I335-D337 PolarHBondContact O-N 3.19Å; I335-D337 VanDerWaalsContact O-N 3.09Å
338Y90.5Very high92.8Very high11 Ų1123.5 Ų23.54%0.04313%0.133CC..THydrogen-bonded Turntrans-121.4-3.3-175.9-50.8-86.5000113.5Y70 F72 F282 V286 L292 I334 I335 S336Y70-Y338 WeakPolarHBondContact CE2-OH 3.37Å; Y70-Y338 WeakPolarHBondContact OH-CE1 3.18Å; Y70-Y338 PolarHBondContact OH-OH 2.84Å; F72-Y338 HydrophobicContact CD2-CD2 4.31Å; F72-Y338 HydrophobicContact CD2-CE1 4.02Å; F72-Y338 AromaticContact CD2-CE2 3.73Å; F72-Y338 HydrophobicContact CD2-CE2 3.73Å; F72-Y338 AromaticContact CD2-CZ 3.58Å; F72-Y338 HydrophobicContact CE2-CD1 4.38Å; F72-Y338 AromaticContact CE2-CD2 3.78Å; F72-Y338 HydrophobicContact CE2-CD2 3.78Å; F72-Y338 HydrophobicContact CE2-CE1 4.28Å; F72-Y338 AromaticContact CE2-CE2 3.63Å; F72-Y338 HydrophobicContact CE2-CE2 3.63Å; F72-Y338 HydrophobicContact CE2-CG 4.17Å; F72-Y338 AromaticContact CE2-CZ 3.91Å; F282-Y338 HydrophobicContact CE1-CD1 4.48Å; F282-Y338 HydrophobicContact CE1-CE1 4.23Å; F282-Y338 HydrophobicContact CZ-CD1 4.4Å; V286-Y338 HydrophobicContact CG1-CD1 4.2Å; L292-Y338 HydrophobicContact CD1-CG 4.08Å; L292-Y338 PolarHBondContact N-O 3.29Å; I334-Y338 HydrophobicContact CG2-CE2 4.14Å; I334-Y338 VanDerWaalsContact O-CD2 3.26Å; I334-Y338 WeakPolarHBondContact O-CD2 3.41Å; I334-Y338 WeakPolarHBondContact O-CE2 3.36Å; I335-Y338 PolarHBondContact O-N 2.87Å; S336-Y338 PolarHBondContact O-N 2.89Å
339D90.4Very high92.9Very high7 Ų723.4 Ų23.44%0.03713%0.132CC..  trans-103.3109.8177.4179.61.7000108.4L292 I335 N342 L343L292-D339 WeakPolarHBondContact O-CA 2.96Å; L292-D339 WeakPolarHBondContact O-CB 3.14Å; I335-D339 PolarHBondContact O-N 3.21Å; I335-D339 VanDerWaalsContact O-N 3.12Å; D339-N342 PolarHBondContact O-N 3.06Å; D339-N342 PolarHBondContact OD1-N 3.32Å; D339-L343 PolarHBondContact OD2-N 2.86Å
340S85.7Confident93Very high106 Ų10621.3 Ų21.374%0.74112%0.122SC*.SBendtrans-80.6-30.7-167.180.20000113E291E291-S340 WeakPolarHBondContact OE1-CB 3.07Å; E291-S340 PolarHBondContact OE1-N 2.77Å; E291-S340 PolarHBondContact OE1-OG 2.77Å
341D89.8Confident93.3Very high74 Ų7421.1 Ų21.140%0.39612%0.121SC..SBendtrans-85.5-17173.476.913.2000112.6E291 L343E291-D341 PolarHBondContact OE1-N 3.02Å; D341-L343 HydrophobicContact CB-CD1 4.36Å; D341-L343 HydrophobicContact CB-CG 4.22Å; D341-L343 PolarHBondContact O-N 2.72Å; D341-L343 WeakPolarHBondContact OD1-CA 3.3Å; D341-L343 VanDerWaalsContact OD1-CB 3.24Å; D341-L343 WeakPolarHBondContact OD1-CB 3.25Å; D341-L343 PolarHBondContact OD1-N 2.76Å
342N92.2Very high93.4Very high62 Ų6221.5 Ų21.533%0.33212%0.124SC..  trans56.135.1179.7-173.343.6000111.1D339 G376D339-N342 PolarHBondContact O-N 3.06Å; D339-N342 PolarHBondContact OD1-N 3.32Å; N342-G376 VanDerWaalsContact O-CA 3.3Å; N342-G376 WeakPolarHBondContact O-CA 3.37Å; N342-G376 PolarHBondContact O-N 2.77Å; N342-G376 WeakPolarHBondContact OD1-CA 3.48Å
343L95Very high93.4Very high57 Ų5722.6 Ų22.630%0.29813%0.129SC..EExtended strand (participates in β ladder)trans-107.1122.7177.5-61.1178.8000110.8D339 D341 P345 Y373 C374D339-L343 PolarHBondContact OD2-N 2.86Å; D341-L343 HydrophobicContact CB-CD1 4.36Å; D341-L343 HydrophobicContact CB-CG 4.22Å; D341-L343 PolarHBondContact O-N 2.72Å; D341-L343 WeakPolarHBondContact OD1-CA 3.3Å; D341-L343 VanDerWaalsContact OD1-CB 3.24Å; D341-L343 WeakPolarHBondContact OD1-CB 3.25Å; D341-L343 PolarHBondContact OD1-N 2.76Å; L343-P345 VanDerWaalsContact O-CD 3.28Å; L343-P345 WeakPolarHBondContact O-CD 3.37Å; L343-Y373 HydrophobicContact CB-CD1 3.86Å; L343-Y373 HydrophobicContact CD1-CD1 4.44Å; L343-C374 WeakPolarHBondContact CA-O 3.44Å
344F96Very high93.3Very high0 Ų023.3 Ų23.30%014%0.137CC..EExtended strand (participates in β ladder)trans-108104.7-177.7-68.6-99.8000111.3C294 I296 S346 C374 A380C294-F344 HydrophobicContact CB-CD1 3.9Å; C294-F344 HydrophobicContact CB-CE1 3.8Å; I296-F344 HydrophobicContact CD1-CB 3.89Å; I296-F344 HydrophobicContact CD1-CD1 3.84Å; I296-F344 HydrophobicContact CD1-CG 4.19Å; I296-F344 HydrophobicContact CG1-CD1 4.48Å; F344-S346 PolarHBondContact O-N 3.12Å; F344-S346 VanDerWaalsContact O-N 3.08Å; F344-S346 PolarHBondContact O-OG 3.06Å; F344-C374 PolarHBondContact N-O 3.45Å; F344-C374 PolarHBondContact O-N 3.13Å; F344-A380 HydrophobicContact CB-CB 4.38Å
345P96.2Very high93.2Very high1 Ų128.4 Ų28.41%0.00617%0.171CC..EExtended strand (participates in β ladder)trans-56.7115.3167.1-18.627.5000109.9C294 C295 I296 L343 F347 P372 Y373C294-P345 WeakPolarHBondContact O-CD 3.33Å; C295-P345 CarbonylContact C-O 3.56Å; C295-P345 VanDerWaalsContact CA-O 3.3Å; C295-P345 WeakPolarHBondContact CA-O 3.39Å; C295-P345 HydrophobicContact CB-CB 4.3Å; C295-P345 PolarHBondContact SG-O 3.14Å; C295-P345 VanDerWaalsContact SG-O 3.36Å; I296-P345 PolarHBondContact N-O 3.37Å; L343-P345 VanDerWaalsContact O-CD 3.28Å; L343-P345 WeakPolarHBondContact O-CD 3.37Å; P345-F347 HydrophobicContact CB-CE2 3.96Å; P345-P372 WeakPolarHBondContact CA-O 3.34Å; P345-P372 HydrophobicContact CB-CG 4.36Å; P345-Y373 HydrophobicContact CG-CD1 3.78Å; P345-Y373 HydrophobicContact CG-CE1 3.54Å
346S97.8Very high93Very high0 Ų034.1 Ų34.10%020%0.201CC..EExtended strand (participates in β ladder)trans-122.7115.1-167.7-670000110.3F344 L365 P372F344-S346 PolarHBondContact O-N 3.12Å; F344-S346 VanDerWaalsContact O-N 3.08Å; F344-S346 PolarHBondContact O-OG 3.06Å; S346-L365 PolarHBondContact O-N 3.41Å; S346-P372 PolarHBondContact N-O 3.36Å
347F97.9Very high92.8Very high15 Ų1536.9 Ų36.97%0.06621%0.214CC..EExtended strand (participates in β ladder)trans-120.3150.1-177-61.7-87.2000112.4C295 I296 A297 I298 P345 F363 P364 L365 P372 I402 T405C295-F347 WeakPolarHBondContact SG-CD2 3.26Å; C295-F347 VanDerWaalsContact SG-CE2 3.6Å; I296-F347 PolarHBondContact O-N 3.42Å; A297-F347 CarbonylContact C-O 3.6Å; A297-F347 VanDerWaalsContact CA-O 3.32Å; A297-F347 WeakPolarHBondContact CA-O 3.32Å; I298-F347 PolarHBondContact N-O 2.87Å; P345-F347 HydrophobicContact CB-CE2 3.96Å; F347-F363 CarbonylContact C-O 3.59Å; F347-F363 WeakPolarHBondContact CA-O 3.47Å; F347-P364 HydrophobicContact CE1-CG 4.46Å; F347-L365 VanDerWaalsContact C-CG 3.44Å; F347-P372 HydrophobicContact CD1-CB 4.33Å; F347-P372 HydrophobicContact CE1-CB 3.64Å; F347-P372 HydrophobicContact CE1-CG 4.14Å; F347-P372 HydrophobicContact CE2-CB 3.93Å; F347-P372 HydrophobicContact CE2-CG 4.21Å; F347-P372 HydrophobicContact CZ-CB 3.43Å; F347-P372 VanDerWaalsContact CZ-CB 3.43Å; F347-P372 HydrophobicContact CZ-CG 3.57Å; F347-I402 HydrophobicContact CB-CD1 3.68Å; F347-I402 HydrophobicContact CD1-CD1 4.41Å; F347-I402 HydrophobicContact CD2-CD1 3.71Å; F347-I402 HydrophobicContact CE2-CD1 4.41Å; F347-I402 HydrophobicContact CG-CD1 3.69Å; F347-T405 HydrophobicContact CZ-CG2 4.12Å
348G97.1Very high92.9Very high0 Ų040.9 Ų40.90%024%0.235CC..EExtended strand (participates in β ladder)trans-109.6161.3163.300000111.1I298 C362 F363 L365I298-G348 CarbonylContact O-C 3.45Å; I298-G348 VanDerWaalsContact O-CA 3.25Å; I298-G348 WeakPolarHBondContact O-CA 3.4Å; G348-C362 CarbonylContact O-C 3.57Å; G348-C362 WeakPolarHBondContact O-CA 3.25Å; G348-F363 VanDerWaalsContact C-CD1 3.44Å; G348-F363 PolarHBondContact N-O 2.96Å; G348-F363 WeakPolarHBondContact O-CD1 3.38Å; G348-F363 VanDerWaalsContact O-CE1 3.31Å; G348-F363 WeakPolarHBondContact O-CE1 3.3Å; G348-F363 PolarHBondContact O-N 2.88Å; G348-L365 VanDerWaalsContact N-CD2 3.34Å
349F97Very high93.1Very high0 Ų043.4 Ų43.40%025%0.252CS..EExtended strand (participates in β ladder)trans-144.8154.9172.160.6-90.4000111.5A297 I298 D299 F300 H361 T397 F399 I424A297-F349 HydrophobicContact CB-CD1 4.2Å; A297-F349 HydrophobicContact CB-CE1 4.03Å; I298-F349 WeakPolarHBondContact O-CD1 3.35Å; I298-F349 PolarHBondContact O-N 3.03Å; D299-F349 VanDerWaalsContact CA-CZ 3.48Å; D299-F349 HydrophobicContact CB-CD2 4.48Å; D299-F349 HydrophobicContact CB-CE1 4.21Å; D299-F349 HydrophobicContact CB-CE2 3.59Å; D299-F349 HydrophobicContact CB-CZ 3.44Å; D299-F349 VanDerWaalsContact CB-CZ 3.44Å; D299-F349 VanDerWaalsContact CG-CE2 3.49Å; F300-F349 PolarHBondContact N-O 3.4Å; F349-H361 VanDerWaalsContact CB-C 3.47Å; F349-H361 WeakPolarHBondContact CB-O 3.28Å; F349-T397 HydrophobicContact CE2-CG2 4.09Å; F349-F399 AromaticContact CE2-CD1 3.99Å; F349-F399 HydrophobicContact CE2-CD1 3.99Å; F349-F399 AromaticContact CE2-CE1 3.62Å; F349-F399 HydrophobicContact CE2-CE1 3.62Å; F349-F399 HydrophobicContact CZ-CD1 4.11Å; F349-F399 AromaticContact CZ-CE1 3.63Å; F349-F399 HydrophobicContact CZ-CE1 3.63Å; F349-I424 HydrophobicContact CE1-CG2 3.99Å; F349-I424 HydrophobicContact CZ-CG2 3.89Å
350G95.7Very high93.4Very high0 Ų044.4 Ų44.40%026%0.259CS..SBendtrans7645.2-179.800000112.7F300 T301 S360 H394F300-G350 CarbonylContact C-O 3.55Å; T301-G350 WeakPolarHBondContact CA-O 3.45Å; T301-G350 PolarHBondContact N-O 2.98Å; G350-S360 PolarHBondContact N-O 3.4Å; G350-H394 CarbonylContact C-O 3.59Å; G350-H394 WeakPolarHBondContact CA-O 3.44Å; G350-H394 CarbonylContact O-C 3.44Å; G350-H394 PolarHBondContact O-N 3.12Å
351A95.8Very high93.8Very high0 Ų041 Ų410%023%0.232CC..EExtended strand (participates in β ladder)trans-142.3152.6175.300000112.6F300 I353 V359 S360 F363 V391 K392F300-A351 HydrophobicContact CB-CB 3.87Å; A351-I353 HydrophobicContact CB-CD1 4.01Å; A351-V359 WeakPolarHBondContact O-CA 3.44Å; A351-S360 PolarHBondContact N-O 3.32Å; A351-S360 VanDerWaalsContact N-O 3.16Å; A351-S360 PolarHBondContact O-N 3.48Å; A351-F363 HydrophobicContact CB-CE1 3.74Å; A351-F363 HydrophobicContact CB-CZ 3.91Å; A351-V391 HydrophobicContact CB-CB 3.9Å; A351-V391 HydrophobicContact CB-CG2 3.69Å; A351-K392 CarbonylContact C-O 3.53Å; A351-K392 WeakPolarHBondContact CA-O 3.32Å
352C95.4Very high94.1Very high8 Ų839.1 Ų39.15%0.05422%0.224CC..EExtended strand (participates in β ladder)trans-79.6122.1163.5-72.90000109.1N357 N358 K392C352-N357 HydrophobicContact CB-CB 4.18Å; C352-N357 WeakPolarHBondContact CB-O 3.29Å; C352-N357 PolarHBondContact SG-O 3.34Å; C352-N358 WeakPolarHBondContact CA-O 3.26Å; C352-K392 HydrophobicContact CB-CB 4.06Å; C352-K392 PolarHBondContact N-O 3.4Å; C352-K392 PolarHBondContact O-N 2.98Å
353I92.4Very high94.3Very high24 Ų2436.5 Ų36.512%0.12321%0.209CC..EExtended strand (participates in β ladder)trans-98.3127.5-175.6-49-55.4000110.2A351 N357 N358 F363 M369 V391A351-I353 HydrophobicContact CB-CD1 4.01Å; I353-N357 VanDerWaalsContact O-CA 3.29Å; I353-N357 WeakPolarHBondContact O-CA 3.37Å; I353-N357 PolarHBondContact O-N 3.2Å; I353-N358 PolarHBondContact N-O 2.85Å; I353-F363 HydrophobicContact CD1-CB 4.11Å; I353-F363 HydrophobicContact CD1-CD1 3.44Å; I353-F363 VanDerWaalsContact CD1-CD1 3.44Å; I353-F363 HydrophobicContact CD1-CD2 3.61Å; I353-F363 HydrophobicContact CD1-CE1 3.6Å; I353-F363 HydrophobicContact CD1-CE2 3.78Å; I353-F363 HydrophobicContact CD1-CG 3.43Å; I353-F363 VanDerWaalsContact CD1-CG 3.43Å; I353-F363 HydrophobicContact CD1-CZ 3.76Å; I353-F363 HydrophobicContact CG1-CB 4.15Å; I353-F363 HydrophobicContact CG1-CD1 4.1Å; I353-F363 HydrophobicContact CG1-CG 4.01Å; I353-M369 HydrophobicContact CG2-CE 4.02Å; I353-V391 HydrophobicContact CD1-CB 4.17Å; I353-V391 HydrophobicContact CD1-CG1 3.75Å
354P89.7Confident94.3Very high61 Ų6134.3 Ų34.340%0.39620%0.199SC..THydrogen-bonded Turntrans-66.3155.1174.128.8-35.2000111.4
355P88.7Confident94.4Very high113 Ų11334.3 Ų34.373%0.73420%0.199SC*.THydrogen-bonded Turncis-84.4-21.81.932.9-34.6000114.1N357P355-N357 VanDerWaalsContact C-N 3.29Å; P355-N357 PolarHBondContact O-N 3.39Å
356D88.3Confident94.2Very high120 Ų12035.8 Ų35.864%0.64221%0.206SC*.THydrogen-bonded Turntrans-78.1-13.2-169.6-61.2-31.8000113.5N358D356-N358 PolarHBondContact O-N 3.48Å
357N87.5Confident93.7Very high89 Ų8937.6 Ų37.648%0.47623%0.225SC..THydrogen-bonded Turntrans5727.1-173.5-66.5-61.8000113.7C352 I353 P355C352-N357 HydrophobicContact CB-CB 4.18Å; C352-N357 WeakPolarHBondContact CB-O 3.29Å; C352-N357 PolarHBondContact SG-O 3.34Å; I353-N357 VanDerWaalsContact O-CA 3.29Å; I353-N357 WeakPolarHBondContact O-CA 3.37Å; I353-N357 PolarHBondContact O-N 3.2Å; P355-N357 VanDerWaalsContact C-N 3.29Å; P355-N357 PolarHBondContact O-N 3.39Å
358N92.8Very high93.4Very high110 Ų11042.4 Ų42.459%0.58825%0.248SC*.EExtended strand (participates in β ladder)trans-65.2136.1171.2-70.8-34.6000109.6C352 I353 D356 S360C352-N358 WeakPolarHBondContact CA-O 3.26Å; I353-N358 PolarHBondContact N-O 2.85Å; D356-N358 PolarHBondContact O-N 3.48Å; N358-S360 PolarHBondContact O-N 3.33Å
359V94.3Very high92.8Very high65 Ų6548 Ų4839%0.39428%0.275SS..EExtended strand (participates in β ladder)trans-68126.4174.2-178.50000108.5A351 H394A351-V359 WeakPolarHBondContact O-CA 3.44Å; V359-H394 WeakPolarHBondContact CG2-ND1 3.12Å
360S95.3Very high92.5Very high28 Ų2855.9 Ų55.920%0.19632%0.317CS..EExtended strand (participates in β ladder)trans-122138.5173.3-176.70000110.9G350 A351 N358 C362G350-S360 PolarHBondContact N-O 3.4Å; A351-S360 PolarHBondContact N-O 3.32Å; A351-S360 VanDerWaalsContact N-O 3.16Å; A351-S360 PolarHBondContact O-N 3.48Å; N358-S360 PolarHBondContact O-N 3.33Å; S360-C362 VanDerWaalsContact OG-C 3.27Å; S360-C362 PolarHBondContact OG-N 2.83Å; S360-C362 VanDerWaalsContact OG-N 3.16Å; S360-C362 PolarHBondContact OG-O 3.17Å
361H95.2Very high92.4Very high35 Ų3559.3 Ų59.316%0.16234%0.336CS..SBendtrans-109.112.7172.6-58.5-67.2000112.1F349 P396 N398 P401F349-H361 VanDerWaalsContact CB-C 3.47Å; F349-H361 WeakPolarHBondContact CB-O 3.28Å; H361-P396 VanDerWaalsContact CE1-CD 3.42Å; H361-P396 WeakPolarHBondContact CE1-CD 3.48Å; H361-P396 PolarHBondContact CE1-O 2.65Å; H361-P396 PolarHBondContact ND1-O 3.02Å; H361-P396 VanDerWaalsContact ND1-O 3.12Å; H361-N398 HydrophobicContact CB-CB 4.17Å; H361-P401 HydrophobicContact CB-CB 4.18Å; H361-P401 HydrophobicContact CB-CG 3.85Å
362C95.9Very high92.3Very high34 Ų3460.2 Ų60.223%0.2334%0.341CS..SBendtrans-166.4103.7172.6-177.10000108.1G348 S360 P401G348-C362 CarbonylContact O-C 3.57Å; G348-C362 WeakPolarHBondContact O-CA 3.25Å; S360-C362 VanDerWaalsContact OG-C 3.27Å; S360-C362 PolarHBondContact OG-N 2.83Å; S360-C362 VanDerWaalsContact OG-N 3.16Å; S360-C362 PolarHBondContact OG-O 3.17Å; C362-P401 HydrophobicContact CB-CB 4.37Å
363F95.8Very high92.4Very high7 Ų764.4 Ų64.43%0.03136%0.357CS..EExtended strand (participates in β ladder)trans-139.4144.2177.862-88.9000111.3F300 F347 G348 A351 I353 L365 V391F300-F363 AromaticContact CD2-CZ 3.9Å; F300-F363 HydrophobicContact CD2-CZ 3.9Å; F300-F363 HydrophobicContact CE2-CZ 4.31Å; F300-F363 HydrophobicContact CG-CZ 4.22Å; F347-F363 CarbonylContact C-O 3.59Å; F347-F363 WeakPolarHBondContact CA-O 3.47Å; G348-F363 VanDerWaalsContact C-CD1 3.44Å; G348-F363 PolarHBondContact N-O 2.96Å; G348-F363 WeakPolarHBondContact O-CD1 3.38Å; G348-F363 VanDerWaalsContact O-CE1 3.31Å; G348-F363 WeakPolarHBondContact O-CE1 3.3Å; G348-F363 PolarHBondContact O-N 2.88Å; A351-F363 HydrophobicContact CB-CE1 3.74Å; A351-F363 HydrophobicContact CB-CZ 3.91Å; I353-F363 HydrophobicContact CD1-CB 4.11Å; I353-F363 HydrophobicContact CD1-CD1 3.44Å; I353-F363 VanDerWaalsContact CD1-CD1 3.44Å; I353-F363 HydrophobicContact CD1-CD2 3.61Å; I353-F363 HydrophobicContact CD1-CE1 3.6Å; I353-F363 HydrophobicContact CD1-CE2 3.78Å; I353-F363 HydrophobicContact CD1-CG 3.43Å; I353-F363 VanDerWaalsContact CD1-CG 3.43Å; I353-F363 HydrophobicContact CD1-CZ 3.76Å; I353-F363 HydrophobicContact CG1-CB 4.15Å; I353-F363 HydrophobicContact CG1-CD1 4.1Å; I353-F363 HydrophobicContact CG1-CG 4.01Å; F363-L365 HydrophobicContact CE2-CD2 4Å; F363-L365 PolarHBondContact O-N 2.82Å; F363-V391 HydrophobicContact CE2-CG1 3.84Å; F363-V391 HydrophobicContact CZ-CG1 4.14Å; F363-V391 HydrophobicContact CZ-CG2 4.39Å
364P96.4Very high92.6Very high11 Ų1163.7 Ų63.77%0.07135%0.354CS..EExtended strand (participates in β ladder)trans-62128.8175.6-28.339.3000113F347 N366 G367 H368 P372F347-P364 HydrophobicContact CE1-CG 4.46Å; P364-N366 VanDerWaalsContact C-N 3.27Å; P364-N366 WeakPolarHBondContact CB-OD1 3.41Å; P364-N366 PolarHBondContact O-N 3.5Å; P364-G367 PolarHBondContact O-N 3.26Å; P364-H368 WeakPolarHBondContact CB-O 3.44Å; P364-H368 WeakPolarHBondContact CG-O 3.46Å; P364-P372 HydrophobicContact CB-CB 4.27Å; P364-P372 HydrophobicContact CG-CB 4.34Å
365L96.2Very high92.8Very high0 Ų068.6 Ų68.60%037%0.371CS..THydrogen-bonded Turntrans-68.2-27.2-179.5-69.3-176.6000113.4I298 F300 S346 F347 G348 F363 G367 A383 S387I298-L365 HydrophobicContact CB-CD1 4.48Å; I298-L365 HydrophobicContact CD1-CD1 3.63Å; I298-L365 HydrophobicContact CG1-CD1 4.12Å; F300-L365 HydrophobicContact CE2-CD2 3.49Å; F300-L365 VanDerWaalsContact CE2-CD2 3.49Å; F300-L365 HydrophobicContact CZ-CD2 3.81Å; S346-L365 PolarHBondContact O-N 3.41Å; F347-L365 VanDerWaalsContact C-CG 3.44Å; G348-L365 VanDerWaalsContact N-CD2 3.34Å; F363-L365 HydrophobicContact CE2-CD2 4Å; F363-L365 PolarHBondContact O-N 2.82Å; L365-G367 PolarHBondContact O-N 3.41Å; L365-A383 HydrophobicContact CB-CB 3.86Å; L365-A383 VanDerWaalsContact O-O 3.09Å; L365-S387 WeakPolarHBondContact CA-OG 3.49Å; L365-S387 PolarHBondContact O-OG 3.3Å
366N93Very high93.1Very high31 Ų3163.6 Ų63.617%0.16634%0.34CS..THydrogen-bonded Turntrans-80.1-2.7178.965.29.2000112.9P364 H368 N371 Y373 A383P364-N366 VanDerWaalsContact C-N 3.27Å; P364-N366 WeakPolarHBondContact CB-OD1 3.41Å; P364-N366 PolarHBondContact O-N 3.5Å; N366-H368 PolarHBondContact O-N 2.81Å; N366-H368 PolarHBondContact OD1-N 3.02Å; N366-N371 PolarHBondContact ND2-O 2.78Å; N366-N371 PolarHBondContact OD1-O 3Å; N366-Y373 PolarHBondContact ND2-O 2.85Å; N366-Y373 VanDerWaalsContact ND2-O 3.17Å; N366-A383 HydrophobicContact CB-CB 4.1Å
367G88.4Confident93.4Very high39 Ų3958.5 Ų58.540%0.40231%0.313SS..SBendtrans77.2-1.8-179.700000115.1P364 L365 M369P364-G367 PolarHBondContact O-N 3.26Å; L365-G367 PolarHBondContact O-N 3.41Å; G367-M369 PolarHBondContact O-N 3.17Å
368H90.2Very high93.8Very high116 Ų11660 Ų6054%0.53732%0.317SS..  trans-89100.9176.3-62.5171.2000109.8P364 N366 D370 N371P364-H368 WeakPolarHBondContact CB-O 3.44Å; P364-H368 WeakPolarHBondContact CG-O 3.46Å; N366-H368 PolarHBondContact O-N 2.81Å; N366-H368 PolarHBondContact OD1-N 3.02Å; H368-D370 PolarHBondContact O-N 3.41Å; H368-D370 VanDerWaalsContact O-N 3.08Å; H368-N371 HydrophobicContact CB-CB 4.2Å; H368-N371 CarbonylContact O-C 3.44Å; H368-N371 PolarHBondContact O-N 3.07Å
369M85.3Confident94Very high116 Ų11655.9 Ų55.957%0.57130%0.3SS*.THydrogen-bonded Turntrans-56.7-30.2-173.1-68.4-64.914600114.4I353 G367I353-M369 HydrophobicContact CG2-CE 4.02Å; G367-M369 PolarHBondContact O-N 3.17Å
370D89.4Confident94.1Very high166 Ų16652.8 Ų52.889%0.88828%0.282SS*.THydrogen-bonded Turntrans-96.6-5.7-179.3-57.5-43.3000113.7H368H368-D370 PolarHBondContact O-N 3.41Å; H368-D370 VanDerWaalsContact O-N 3.08Å
371N93.6Very high94.2Very high72 Ų7253.1 Ų53.139%0.38528%0.281SS..  trans-142.596-174.5179.85.1000111.2N366 H368 Y373N366-N371 PolarHBondContact ND2-O 2.78Å; N366-N371 PolarHBondContact OD1-O 3Å; H368-N371 HydrophobicContact CB-CB 4.2Å; H368-N371 CarbonylContact O-C 3.44Å; H368-N371 PolarHBondContact O-N 3.07Å; N371-Y373 VanDerWaalsContact C-N 3.29Å; N371-Y373 PolarHBondContact O-N 2.66Å; N371-Y373 WeakPolarHBondContact OD1-CB 3.07Å; N371-Y373 VanDerWaalsContact OD1-CD2 3.28Å; N371-Y373 WeakPolarHBondContact OD1-CD2 3.16Å; N371-Y373 PolarHBondContact OD1-N 3.2Å
372P95.2Very high94.2Very high19 Ų1954.3 Ų54.312%0.12330%0.296CS..  trans-80.6-3.217934.2-37.3000114.6P345 S346 F347 P364P345-P372 WeakPolarHBondContact CA-O 3.34Å; P345-P372 HydrophobicContact CB-CG 4.36Å; S346-P372 PolarHBondContact N-O 3.36Å; F347-P372 HydrophobicContact CD1-CB 4.33Å; F347-P372 HydrophobicContact CE1-CB 3.64Å; F347-P372 HydrophobicContact CE1-CG 4.14Å; F347-P372 HydrophobicContact CE2-CB 3.93Å; F347-P372 HydrophobicContact CE2-CG 4.21Å; F347-P372 HydrophobicContact CZ-CB 3.43Å; F347-P372 VanDerWaalsContact CZ-CB 3.43Å; F347-P372 HydrophobicContact CZ-CG 3.57Å; P364-P372 HydrophobicContact CB-CB 4.27Å; P364-P372 HydrophobicContact CG-CB 4.34Å
373Y96.1Very high94.3Very high97 Ų9753.1 Ų53.138%0.3829%0.289SS..EExtended strand (participates in β ladder)trans-76.7134.2-170.5-63.9-97.8000111.7L343 P345 N366 N371L343-Y373 HydrophobicContact CB-CD1 3.86Å; L343-Y373 HydrophobicContact CD1-CD1 4.44Å; P345-Y373 HydrophobicContact CG-CD1 3.78Å; P345-Y373 HydrophobicContact CG-CE1 3.54Å; N366-Y373 PolarHBondContact ND2-O 2.85Å; N366-Y373 VanDerWaalsContact ND2-O 3.17Å; N371-Y373 VanDerWaalsContact C-N 3.29Å; N371-Y373 PolarHBondContact O-N 2.66Å; N371-Y373 WeakPolarHBondContact OD1-CB 3.07Å; N371-Y373 VanDerWaalsContact OD1-CD2 3.28Å; N371-Y373 WeakPolarHBondContact OD1-CD2 3.16Å; N371-Y373 PolarHBondContact OD1-N 3.2Å
374C96.8Very high94.4Very high8 Ų853.1 Ų53.15%0.05429%0.289CS..EExtended strand (participates in β ladder)trans-116136.8174.9-64.60000110.2L343 F344 G376 A380 A383L343-C374 WeakPolarHBondContact CA-O 3.44Å; F344-C374 PolarHBondContact N-O 3.45Å; F344-C374 PolarHBondContact O-N 3.13Å; C374-G376 PolarHBondContact O-N 2.85Å; C374-A380 HydrophobicContact CB-CB 4.09Å; C374-A383 VanDerWaalsContact SG-CB 3.59Å
375E94.8Very high94.3Very high165 Ų16554.2 Ų54.277%0.77130%0.299SS*.EExtended strand (participates in β ladder)trans-76106.5179.6-170.5-179.717800110.9G379E375-G379 VanDerWaalsContact O-CA 3.27Å; E375-G379 WeakPolarHBondContact O-CA 3.28Å; E375-G379 PolarHBondContact O-N 2.96Å; E375-G379 VanDerWaalsContact O-N 3.09Å
376G95Very high94.3Very high7 Ų757.9 Ų57.97%0.07232%0.316CS..Hα-helixtrans62.5173.9-176.600000114.7N342 C374 Q378 G379 A380N342-G376 VanDerWaalsContact O-CA 3.3Å; N342-G376 WeakPolarHBondContact O-CA 3.37Å; N342-G376 PolarHBondContact O-N 2.77Å; N342-G376 WeakPolarHBondContact OD1-CA 3.48Å; C374-G376 PolarHBondContact O-N 2.85Å; G376-Q378 PolarHBondContact O-N 2.82Å; G376-G379 PolarHBondContact O-N 2.77Å; G376-A380 PolarHBondContact O-N 2.75Å; G376-A380 VanDerWaalsContact O-N 3.08Å
377I94.7Very high94.4Very high14 Ų1456.5 Ų56.57%0.07231%0.309CS..Hα-helixtrans-60-31.7177.8-168.952.3000112.5L328 A380 M381L328-I377 HydrophobicContact CD1-CD1 3.61Å; L328-I377 HydrophobicContact CG-CD1 3.89Å; I377-A380 HydrophobicContact CD1-CB 4.38Å; I377-A380 PolarHBondContact O-N 3.24Å; I377-M381 HydrophobicContact CG1-CG 4.48Å; I377-M381 WeakPolarHBondContact O-CB 3.47Å; I377-M381 WeakPolarHBondContact O-CG 3.46Å; I377-M381 PolarHBondContact O-N 3.22Å
378Q95.3Very high94.7Very high119 Ų11955.6 Ų55.656%0.55629%0.294SS*.Hα-helixtrans-68.3-36.8176.1-63.1-57.3-42.300112.1G376 M381 A382G376-Q378 PolarHBondContact O-N 2.82Å; Q378-M381 PolarHBondContact O-N 3.24Å; Q378-A382 WeakPolarHBondContact O-CB 3.3Å; Q378-A382 PolarHBondContact O-N 3.38Å
379G96.7Very high94.9Very high24 Ų2458.1 Ų58.125%0.24730%0.299CS..Hα-helixtrans-63.3-44.2171.800000111.7E375 G376 M381 A382 A383E375-G379 VanDerWaalsContact O-CA 3.27Å; E375-G379 WeakPolarHBondContact O-CA 3.28Å; E375-G379 PolarHBondContact O-N 2.96Å; E375-G379 VanDerWaalsContact O-N 3.09Å; G376-G379 PolarHBondContact O-N 2.77Å; G379-M381 PolarHBondContact O-N 3.21Å; G379-A382 PolarHBondContact O-N 2.81Å; G379-A383 WeakPolarHBondContact O-CB 3.18Å; G379-A383 PolarHBondContact O-N 3.15Å
380A97.1Very high95.3Very high1 Ų155.4 Ų55.41%0.00829%0.289CS..Hα-helixtrans-62.8-41.7176.800000111.9I296 F344 C374 G376 I377 A382 A383 Y384I296-A380 HydrophobicContact CD1-CB 3.7Å; F344-A380 HydrophobicContact CB-CB 4.38Å; C374-A380 HydrophobicContact CB-CB 4.09Å; G376-A380 PolarHBondContact O-N 2.75Å; G376-A380 VanDerWaalsContact O-N 3.08Å; I377-A380 HydrophobicContact CD1-CB 4.38Å; I377-A380 PolarHBondContact O-N 3.24Å; A380-A382 VanDerWaalsContact C-N 3.35Å; A380-A382 PolarHBondContact O-N 2.96Å; A380-A383 PolarHBondContact O-N 2.89Å; A380-Y384 WeakPolarHBondContact O-CB 3.49Å; A380-Y384 PolarHBondContact O-N 3.29Å
381M96.6Very high95.5Very high35 Ų3548.3 Ų48.317%0.17225%0.252CS..Hα-helixtrans-62.8-39.2174.4-70.4-75.6-70.200112.3A325 L328 Q329 I377 Q378 G379 A385A325-M381 HydrophobicContact CB-CE 3.79Å; A325-M381 HydrophobicContact CB-SD 4.5Å; L328-M381 HydrophobicContact CB-SD 4.09Å; L328-M381 HydrophobicContact CD2-CG 4.15Å; L328-M381 HydrophobicContact CD2-SD 3.44Å; L328-M381 WeakPolarHBondContact CD2-SD 3.46Å; L328-M381 HydrophobicContact CG-CG 4.39Å; L328-M381 HydrophobicContact CG-SD 3.66Å; Q329-M381 HydrophobicContact CB-CE 4.5Å; Q329-M381 HydrophobicContact CB-SD 4.42Å; I377-M381 HydrophobicContact CG1-CG 4.48Å; I377-M381 WeakPolarHBondContact O-CB 3.47Å; I377-M381 WeakPolarHBondContact O-CG 3.46Å; I377-M381 PolarHBondContact O-N 3.22Å; Q378-M381 PolarHBondContact O-N 3.24Å; G379-M381 PolarHBondContact O-N 3.21Å; M381-A385 WeakPolarHBondContact O-CB 3.44Å; M381-A385 PolarHBondContact O-N 2.71Å
382A96.6Very high95.6Very high59 Ų5951.3 Ų51.349%0.48826%0.261SS..Hα-helixtrans-67.2-40.9175.300000112.1Q378 G379 A380 A385 H386Q378-A382 WeakPolarHBondContact O-CB 3.3Å; Q378-A382 PolarHBondContact O-N 3.38Å; G379-A382 PolarHBondContact O-N 2.81Å; A380-A382 VanDerWaalsContact C-N 3.35Å; A380-A382 PolarHBondContact O-N 2.96Å; A382-A385 PolarHBondContact O-N 3.21Å; A382-H386 WeakPolarHBondContact O-CB 3.42Å; A382-H386 PolarHBondContact O-N 2.79Å
383A97.5Very high95.6Very high9 Ų951.7 Ų51.77%0.07426%0.261CS..Hα-helixtrans-64.4-43.6175.100000111.9L365 N366 C374 G379 A380 H386 S387L365-A383 HydrophobicContact CB-CB 3.86Å; L365-A383 VanDerWaalsContact O-O 3.09Å; N366-A383 HydrophobicContact CB-CB 4.1Å; C374-A383 VanDerWaalsContact SG-CB 3.59Å; G379-A383 WeakPolarHBondContact O-CB 3.18Å; G379-A383 PolarHBondContact O-N 3.15Å; A380-A383 PolarHBondContact O-N 2.89Å; A383-H386 WeakPolarHBondContact O-CB 3.48Å; A383-H386 PolarHBondContact O-N 3.01Å; A383-S387 PolarHBondContact O-N 3.5Å; A383-S387 PolarHBondContact O-OG 3.1Å
384Y97.5Very high95.5Very high8 Ų850.6 Ų50.63%0.03126%0.26CS..Hα-helixtrans-56.4-51.2170.9165.7-120.7000111.5I298 F300 H314 S322 Y324 A325 A380 H386 S387 L388I298-Y384 HydrophobicContact CD1-CD2 3.45Å; I298-Y384 VanDerWaalsContact CD1-CD2 3.45Å; I298-Y384 HydrophobicContact CD1-CE2 4.16Å; I298-Y384 HydrophobicContact CD1-CG 3.77Å; I298-Y384 HydrophobicContact CG2-CD2 4.01Å; I298-Y384 HydrophobicContact CG2-CE2 3.84Å; F300-Y384 AromaticContact CZ-CD2 3.85Å; F300-Y384 HydrophobicContact CZ-CD2 3.85Å; F300-Y384 HydrophobicContact CZ-CE2 4.16Å; H314-Y384 AromaticContact ND1-CE2 3.62Å; H314-Y384 AromaticContact ND1-CZ 3.64Å; H314-Y384 PolarHBondContact ND1-OH 3.24Å; S322-Y384 PolarHBondContact OG-OH 3.03Å; Y324-Y384 WeakPolarHBondContact CB-OH 3.48Å; A325-Y384 HydrophobicContact CB-CE1 4.22Å; A380-Y384 WeakPolarHBondContact O-CB 3.49Å; A380-Y384 PolarHBondContact O-N 3.29Å; Y384-H386 VanDerWaalsContact C-N 3.27Å; Y384-H386 PolarHBondContact O-N 3.21Å; Y384-S387 PolarHBondContact O-N 2.89Å; Y384-L388 HydrophobicContact CD1-CD1 4.46Å; Y384-L388 HydrophobicContact CD2-CD1 4.44Å; Y384-L388 HydrophobicContact CD2-CG 4.18Å; Y384-L388 HydrophobicContact CE1-CD1 3.9Å; Y384-L388 HydrophobicContact CE2-CD1 3.87Å; Y384-L388 HydrophobicContact CE2-CD2 3.81Å; Y384-L388 HydrophobicContact CE2-CG 3.76Å; Y384-L388 WeakPolarHBondContact O-CG 3.42Å; Y384-L388 PolarHBondContact O-N 3.47Å
385A95.5Very high95.2Very high33 Ų3351.6 Ų51.627%0.27327%0.271SS..Hα-helixtrans-61.9-34.6178.100000112.6M381 A382 R389M381-A385 WeakPolarHBondContact O-CB 3.44Å; M381-A385 PolarHBondContact O-N 2.71Å; A382-A385 PolarHBondContact O-N 3.21Å; A385-R389 PolarHBondContact O-NH1 3.19Å
386H94.6Very high95.2Very high78 Ų7846.3 Ų46.336%0.36125%0.251SS..Hα-helixtrans-62.7-52.7172.5176.288000111.2A382 A383 Y384 L388 R389 T390A382-H386 WeakPolarHBondContact O-CB 3.42Å; A382-H386 PolarHBondContact O-N 2.79Å; A383-H386 WeakPolarHBondContact O-CB 3.48Å; A383-H386 PolarHBondContact O-N 3.01Å; Y384-H386 VanDerWaalsContact C-N 3.27Å; Y384-H386 PolarHBondContact O-N 3.21Å; H386-L388 VanDerWaalsContact C-N 3.32Å; H386-L388 PolarHBondContact O-N 3.28Å; H386-R389 PolarHBondContact O-N 2.91Å; H386-T390 PolarHBondContact O-N 3.47Å; H386-T390 PolarHBondContact O-OG1 3.47Å
387S95.8Very high95.1Very high2 Ų246.5 Ų46.51%0.01425%0.251CS..Hα-helixtrans-58.4-40-179.8-76.30000112.7L365 A383 Y384 R389 T390 V391L365-S387 WeakPolarHBondContact CA-OG 3.49Å; L365-S387 PolarHBondContact O-OG 3.3Å; A383-S387 PolarHBondContact O-N 3.5Å; A383-S387 PolarHBondContact O-OG 3.1Å; Y384-S387 PolarHBondContact O-N 2.89Å; S387-R389 PolarHBondContact O-N 3.39Å; S387-T390 WeakPolarHBondContact CA-OG1 3.3Å; S387-T390 PolarHBondContact O-N 3.4Å; S387-T390 VanDerWaalsContact O-N 3.07Å; S387-T390 PolarHBondContact O-OG1 3.23Å; S387-V391 WeakPolarHBondContact O-CG2 2.98Å; S387-V391 PolarHBondContact O-N 3.35Å
388L95.5Very high95.1Very high20 Ų2047.1 Ų47.111%0.10525%0.254CS..Hα-helixtrans-54.7-24.5175.1-74.2178.7000114.2F300 P307 H314 Y384 H386 F393F300-L388 HydrophobicContact CD1-CD2 4.3Å; F300-L388 HydrophobicContact CE1-CD2 3.7Å; F300-L388 HydrophobicContact CE1-CG 4.13Å; F300-L388 HydrophobicContact CZ-CD2 4.49Å; P307-L388 HydrophobicContact CB-CD2 4.13Å; P307-L388 HydrophobicContact CG-CD2 4.34Å; H314-L388 HydrophobicContact CB-CD1 4.48Å; H314-L388 HydrophobicContact CB-CD2 3.68Å; Y384-L388 HydrophobicContact CD1-CD1 4.46Å; Y384-L388 HydrophobicContact CD2-CD1 4.44Å; Y384-L388 HydrophobicContact CD2-CG 4.18Å; Y384-L388 HydrophobicContact CE1-CD1 3.9Å; Y384-L388 HydrophobicContact CE2-CD1 3.87Å; Y384-L388 HydrophobicContact CE2-CD2 3.81Å; Y384-L388 HydrophobicContact CE2-CG 3.76Å; Y384-L388 WeakPolarHBondContact O-CG 3.42Å; Y384-L388 PolarHBondContact O-N 3.47Å; H386-L388 VanDerWaalsContact C-N 3.32Å; H386-L388 PolarHBondContact O-N 3.28Å; L388-F393 HydrophobicContact CD2-CE1 4.24Å; L388-F393 HydrophobicContact CD2-CZ 3.68Å
389R93.5Very high95.2Very high168 Ų16841.4 Ų41.463%0.63423%0.228SC*.Hα-helixtrans-97.6-20.5-179.6-65.1-174.9-66.2-90.61113.7A385 H386 S387A385-R389 PolarHBondContact O-NH1 3.19Å; H386-R389 PolarHBondContact O-N 2.91Å; S387-R389 PolarHBondContact O-N 3.39Å
390T93Very high95.3Very high60 Ų6040.6 Ų40.637%0.36822%0.219SC..Hα-helixtrans-108.8-34.2-168.854.80000113.3H386 S387H386-T390 PolarHBondContact O-N 3.47Å; H386-T390 PolarHBondContact O-OG1 3.47Å; S387-T390 WeakPolarHBondContact CA-OG1 3.3Å; S387-T390 PolarHBondContact O-N 3.4Å; S387-T390 VanDerWaalsContact O-N 3.07Å; S387-T390 PolarHBondContact O-OG1 3.23Å
391V94.5Very high95.4Very high16 Ų1642.7 Ų42.710%0.09723%0.232CC..SBendtrans-88.6152.2-178.7-46.90000111.2F300 A351 I353 F363 S387 F393F300-V391 HydrophobicContact CB-CG2 4.37Å; F300-V391 HydrophobicContact CD1-CG2 3.55Å; F300-V391 HydrophobicContact CE1-CG2 4.07Å; F300-V391 HydrophobicContact CG-CG2 4.11Å; A351-V391 HydrophobicContact CB-CB 3.9Å; A351-V391 HydrophobicContact CB-CG2 3.69Å; I353-V391 HydrophobicContact CD1-CB 4.17Å; I353-V391 HydrophobicContact CD1-CG1 3.75Å; F363-V391 HydrophobicContact CE2-CG1 3.84Å; F363-V391 HydrophobicContact CZ-CG1 4.14Å; F363-V391 HydrophobicContact CZ-CG2 4.39Å; S387-V391 WeakPolarHBondContact O-CG2 2.98Å; S387-V391 PolarHBondContact O-N 3.35Å; V391-F393 HydrophobicContact CG2-CD1 4.26Å; V391-F393 HydrophobicContact CG2-CE1 4.37Å
392K95.1Very high95.4Very high135 Ų13541 Ų4159%0.58722%0.224SC*.EExtended strand (participates in β ladder)trans-100.8121.1172.2174.5-173.9178.1-170.90109.2A351 C352 H394A351-K392 CarbonylContact C-O 3.53Å; A351-K392 WeakPolarHBondContact CA-O 3.32Å; C352-K392 HydrophobicContact CB-CB 4.06Å; C352-K392 PolarHBondContact N-O 3.4Å; C352-K392 PolarHBondContact O-N 2.98Å; K392-H394 PolarHBondContact O-N 2.6Å
393F95Very high95.5Very high28 Ų2838.2 Ų38.212%0.12320%0.201CC..EExtended strand (participates in β ladder)trans-62.6135.2-176.3-71.628.2000111.1F300 N304 G305 P307 H314 L388 V391F300-F393 HydrophobicContact CB-CD1 4.32Å; F300-F393 HydrophobicContact CB-CE1 4.48Å; F300-F393 HydrophobicContact CD1-CD1 4.08Å; F300-F393 AromaticContact CD1-CE1 3.5Å; F300-F393 HydrophobicContact CD1-CE1 3.5Å; F300-F393 AromaticContact CD1-CZ 3.89Å; F300-F393 HydrophobicContact CD1-CZ 3.89Å; F300-F393 HydrophobicContact CE1-CE1 4.25Å; F300-F393 HydrophobicContact CG-CE1 4.45Å; F300-F393 WeakPolarHBondContact O-CA 3.5Å; F300-F393 WeakPolarHBondContact O-CB 3.36Å; F300-F393 WeakPolarHBondContact O-CD2 3.49Å; F300-F393 WeakPolarHBondContact O-CG 3.49Å; N304-F393 HydrophobicContact CB-CD2 4.44Å; N304-F393 HydrophobicContact CB-CE2 4.27Å; G305-F393 WeakPolarHBondContact O-CD2 3.43Å; G305-F393 WeakPolarHBondContact O-CE2 3.36Å; P307-F393 HydrophobicContact CG-CE1 4.39Å; P307-F393 HydrophobicContact CG-CZ 4Å; H314-F393 AromaticContact CD2-CE2 3.45Å; H314-F393 VanDerWaalsContact CD2-CE2 3.45Å; H314-F393 WeakPolarHBondContact CD2-CE2 3.4Å; H314-F393 AromaticContact CD2-CZ 3.81Å; H314-F393 AromaticContact NE2-CE2 3.96Å; L388-F393 HydrophobicContact CD2-CE1 4.24Å; L388-F393 HydrophobicContact CD2-CZ 3.68Å; V391-F393 HydrophobicContact CG2-CD1 4.26Å; V391-F393 HydrophobicContact CG2-CE1 4.37Å
394H94.2Very high95.6Very high74 Ų7441.2 Ų41.234%0.34322%0.215SC..  trans-153.9157-172.5-157.9-88.3000113.2F300 T301 G350 V359 K392F300-H394 PolarHBondContact O-N 3.14Å; T301-H394 VanDerWaalsContact CA-O 3.3Å; T301-H394 WeakPolarHBondContact CA-O 3.49Å; G350-H394 CarbonylContact C-O 3.59Å; G350-H394 WeakPolarHBondContact CA-O 3.44Å; G350-H394 CarbonylContact O-C 3.44Å; G350-H394 PolarHBondContact O-N 3.12Å; V359-H394 WeakPolarHBondContact CG2-ND1 3.12Å; K392-H394 PolarHBondContact O-N 2.6Å
395G90.3Very high95.5Very high29 Ų2943.1 Ų43.130%0.29923%0.228SC..SBendtrans-93.5177172.800000113
396P94.3Very high95.6Very high54 Ų5441.6 Ų41.635%0.35122%0.215SC..  cis-81.4173.3-11.431.7-38.3000115H361 N398 S431H361-P396 VanDerWaalsContact CE1-CD 3.42Å; H361-P396 WeakPolarHBondContact CE1-CD 3.48Å; H361-P396 PolarHBondContact CE1-O 2.65Å; H361-P396 PolarHBondContact ND1-O 3.02Å; H361-P396 VanDerWaalsContact ND1-O 3.12Å; P396-N398 WeakPolarHBondContact CG-ND2 3.03Å; P396-N398 PolarHBondContact O-N 3.03Å; P396-S431 VanDerWaalsContact CB-CB 3.47Å; P396-S431 WeakPolarHBondContact CB-OG 3.3Å
397T93.4Very high95.8Very high10 Ų1037.9 Ų37.96%0.06120%0.198CC..  trans-8497.2171.8-44.80000109.5T301 F349 F399 I429 S431T301-T397 HydrophobicContact CG2-CG2 4.41Å; T301-T397 WeakPolarHBondContact CG2-OG1 3.11Å; F349-T397 HydrophobicContact CE2-CG2 4.09Å; T397-F399 HydrophobicContact CG2-CD1 4.42Å; T397-F399 HydrophobicContact CG2-CE1 3.73Å; T397-F399 HydrophobicContact CG2-CZ 4.42Å; T397-I429 WeakPolarHBondContact CB-O 3.19Å; T397-I429 WeakPolarHBondContact CG2-O 3.3Å; T397-S431 PolarHBondContact N-OG 3.36Å; T397-S431 WeakPolarHBondContact O-CB 3.17Å; T397-S431 PolarHBondContact O-N 2.85Å
398N96.3Very high95.9Very high27 Ų2740.7 Ų40.714%0.14422%0.218CC..  trans-118.2119.7-175.9-72.1-8.7000111H361 P396 P401 S431 D432H361-N398 HydrophobicContact CB-CB 4.17Å; P396-N398 WeakPolarHBondContact CG-ND2 3.03Å; P396-N398 PolarHBondContact O-N 3.03Å; N398-P401 HydrophobicContact CB-CG 4.39Å; N398-S431 WeakPolarHBondContact OD1-CB 3.36Å; N398-D432 WeakPolarHBondContact CA-OD1 3.36Å; N398-D432 HydrophobicContact CB-CB 4.32Å; N398-D432 WeakPolarHBondContact CB-OD2 3.44Å; N398-D432 WeakPolarHBondContact OD1-CB 3.08Å
399F97.4Very high95.8Very high0 Ų041.2 Ų41.20%022%0.22CC..  trans-95.5-25.1-179.8-67.4-3.6000113.1F349 T397 P401 I402 I403 I424 T426 I430 D432 T436 I452 M463F349-F399 AromaticContact CE2-CD1 3.99Å; F349-F399 HydrophobicContact CE2-CD1 3.99Å; F349-F399 AromaticContact CE2-CE1 3.62Å; F349-F399 HydrophobicContact CE2-CE1 3.62Å; F349-F399 HydrophobicContact CZ-CD1 4.11Å; F349-F399 AromaticContact CZ-CE1 3.63Å; F349-F399 HydrophobicContact CZ-CE1 3.63Å; T397-F399 HydrophobicContact CG2-CD1 4.42Å; T397-F399 HydrophobicContact CG2-CE1 3.73Å; T397-F399 HydrophobicContact CG2-CZ 4.42Å; F399-P401 VanDerWaalsContact C-CD 3.42Å; F399-P401 VanDerWaalsContact C-N 3.3Å; F399-I402 WeakPolarHBondContact O-CG2 3.26Å; F399-I402 PolarHBondContact O-N 3.37Å; F399-I403 HydrophobicContact CB-CD1 3.86Å; F399-I403 HydrophobicContact CB-CG1 4.44Å; F399-I403 WeakPolarHBondContact O-CG1 3.4Å; F399-I403 PolarHBondContact O-N 2.79Å; F399-I424 HydrophobicContact CD1-CG2 4.31Å; F399-I424 HydrophobicContact CD2-CD1 4.1Å; F399-I424 HydrophobicContact CE1-CG2 3.89Å; F399-I424 HydrophobicContact CE2-CG2 4.11Å; F399-I424 HydrophobicContact CG-CD1 4.25Å; F399-I424 HydrophobicContact CZ-CG2 3.79Å; F399-T426 HydrophobicContact CE1-CG2 4.44Å; F399-T426 HydrophobicContact CE2-CG2 4.38Å; F399-T426 HydrophobicContact CZ-CG2 3.57Å; F399-I430 HydrophobicContact CD2-CD1 3.77Å; F399-I430 HydrophobicContact CD2-CG1 4Å; F399-I430 HydrophobicContact CE2-CD1 3.75Å; F399-I430 HydrophobicContact CE2-CG1 3.78Å; F399-I430 HydrophobicContact CZ-CG1 4.21Å; F399-D432 PolarHBondContact N-OD1 3.47Å; F399-D432 PolarHBondContact N-OD2 3.13Å; F399-T436 HydrophobicContact CB-CG2 4Å; F399-T436 HydrophobicContact CD2-CG2 4.42Å; F399-I452 HydrophobicContact CE2-CD1 4.28Å; F399-I452 HydrophobicContact CE2-CG2 4.32Å; F399-M463 HydrophobicContact CE2-CE 3.68Å; F399-M463 HydrophobicContact CE2-SD 3.99Å; F399-M463 HydrophobicContact CZ-CE 3.79Å
400A98Very high96Very high7 Ų733.2 Ų33.26%0.05819%0.19CC..Hα-helixtrans-55.5-39.9-176.700000113.1N404 D432 Q435 T436 A439A400-N404 WeakPolarHBondContact O-CB 3.47Å; A400-N404 VanDerWaalsContact O-CG 3.3Å; A400-N404 PolarHBondContact O-N 2.84Å; A400-N404 PolarHBondContact O-ND2 3.43Å; A400-D432 WeakPolarHBondContact CB-OD2 3.32Å; A400-D432 PolarHBondContact N-OD2 3.22Å; A400-Q435 HydrophobicContact CB-CB 3.62Å; A400-T436 PolarHBondContact N-OG1 2.89Å; A400-A439 HydrophobicContact CB-CB 4.43Å
401P98Very high96.2Very high44 Ų4435.5 Ų35.529%0.28619%0.192SC..Hα-helixtrans-60-50177.7-26.437.9000112.9H361 C362 N398 F399 N404 T405H361-P401 HydrophobicContact CB-CB 4.18Å; H361-P401 HydrophobicContact CB-CG 3.85Å; C362-P401 HydrophobicContact CB-CB 4.37Å; N398-P401 HydrophobicContact CB-CG 4.39Å; F399-P401 VanDerWaalsContact C-CD 3.42Å; F399-P401 VanDerWaalsContact C-N 3.3Å; P401-N404 PolarHBondContact O-N 3.24Å; P401-T405 PolarHBondContact O-N 3.35Å; P401-T405 PolarHBondContact O-OG1 3.45Å; P401-T405 VanDerWaalsContact O-OG1 3.11Å
402I97.8Very high96.2Very high0 Ų042 Ų420%022%0.221CC..Hα-helixtrans-69.4-39.7-178.1-172.859000112.1A297 F347 F399 N404 T405 V406 L422A297-I402 HydrophobicContact CB-CD1 4.4Å; A297-I402 HydrophobicContact CB-CG1 3.67Å; F347-I402 HydrophobicContact CB-CD1 3.68Å; F347-I402 HydrophobicContact CD1-CD1 4.41Å; F347-I402 HydrophobicContact CD2-CD1 3.71Å; F347-I402 HydrophobicContact CE2-CD1 4.41Å; F347-I402 HydrophobicContact CG-CD1 3.69Å; F399-I402 WeakPolarHBondContact O-CG2 3.26Å; F399-I402 PolarHBondContact O-N 3.37Å; I402-N404 VanDerWaalsContact C-N 3.31Å; I402-N404 PolarHBondContact O-N 2.87Å; I402-T405 WeakPolarHBondContact O-CB 3.33Å; I402-T405 PolarHBondContact O-N 2.83Å; I402-V406 HydrophobicContact CD1-CG2 4.29Å; I402-V406 WeakPolarHBondContact O-CG2 3.3Å; I402-V406 PolarHBondContact O-N 2.96Å; I402-L422 HydrophobicContact CG1-CD1 4.17Å
403I98.5Very high96.2Very high1 Ų136.4 Ų36.41%0.00520%0.199CC..Hα-helixtrans-60.3-42.9174.9-65.9170.2000110.4F399 V406 A407 L422 I424 T436 A439 I440 I450F399-I403 HydrophobicContact CB-CD1 3.86Å; F399-I403 HydrophobicContact CB-CG1 4.44Å; F399-I403 WeakPolarHBondContact O-CG1 3.4Å; F399-I403 PolarHBondContact O-N 2.79Å; I403-V406 PolarHBondContact O-N 2.95Å; I403-A407 WeakPolarHBondContact O-CB 3.48Å; I403-A407 PolarHBondContact O-N 3.34Å; I403-L422 HydrophobicContact CB-CD2 4.47Å; I403-L422 HydrophobicContact CG1-CD2 3.9Å; I403-I424 HydrophobicContact CD1-CD1 4.49Å; I403-I424 HydrophobicContact CG1-CD1 4.23Å; I403-T436 HydrophobicContact CD1-CG2 3.92Å; I403-A439 HydrophobicContact CB-CB 4.08Å; I403-A439 HydrophobicContact CG2-CB 3.65Å; I403-I440 HydrophobicContact CD1-CD1 4.26Å; I403-I440 HydrophobicContact CD1-CG1 3.93Å; I403-I450 HydrophobicContact CD1-CD1 4.43Å; I403-I450 HydrophobicContact CG1-CD1 4.3Å; I403-I450 HydrophobicContact CG2-CD1 3.95Å
404N98.5Very high96.2Very high71 Ų7138.7 Ų38.738%0.3822%0.215SC..Hα-helixtrans-66.6-37.7177.8-77.4-54.4000112.7A400 P401 I402 S408A400-N404 WeakPolarHBondContact O-CB 3.47Å; A400-N404 VanDerWaalsContact O-CG 3.3Å; A400-N404 PolarHBondContact O-N 2.84Å; A400-N404 PolarHBondContact O-ND2 3.43Å; P401-N404 PolarHBondContact O-N 3.24Å; I402-N404 VanDerWaalsContact C-N 3.31Å; I402-N404 PolarHBondContact O-N 2.87Å; N404-S408 PolarHBondContact O-N 3.1Å
405T97.4Very high96.2Very high48 Ų4839.5 Ų39.529%0.29422%0.222SC..Hα-helixtrans-59.7-53.1174.3-62.60000110.6F347 P401 I402 A407 S408 I409F347-T405 HydrophobicContact CZ-CG2 4.12Å; P401-T405 PolarHBondContact O-N 3.35Å; P401-T405 PolarHBondContact O-OG1 3.45Å; P401-T405 VanDerWaalsContact O-OG1 3.11Å; I402-T405 WeakPolarHBondContact O-CB 3.33Å; I402-T405 PolarHBondContact O-N 2.83Å; T405-A407 PolarHBondContact O-N 3.31Å; T405-S408 WeakPolarHBondContact O-CA 3.45Å; T405-S408 VanDerWaalsContact O-CB 3.28Å; T405-S408 WeakPolarHBondContact O-CB 3.22Å; T405-S408 PolarHBondContact O-N 2.97Å; T405-I409 PolarHBondContact O-N 2.89Å; T405-I409 VanDerWaalsContact O-N 3.17Å
406V97.5Very high96.3Very high1 Ų138.1 Ų38.11%0.00621%0.208CC..Hα-helixtrans-69.3-36-178.7-173.60000111.9C295 I402 I403 S408 I409 A410 L422 L448C295-V406 HydrophobicContact CB-CG1 4.15Å; C295-V406 HydrophobicContact CB-CG2 3.89Å; C295-V406 WeakPolarHBondContact SG-CG2 3.2Å; I402-V406 HydrophobicContact CD1-CG2 4.29Å; I402-V406 WeakPolarHBondContact O-CG2 3.3Å; I402-V406 PolarHBondContact O-N 2.96Å; I403-V406 PolarHBondContact O-N 2.95Å; V406-S408 PolarHBondContact O-N 3.04Å; V406-I409 WeakPolarHBondContact O-CA 3.35Å; V406-I409 WeakPolarHBondContact O-CB 3.47Å; V406-I409 PolarHBondContact O-N 2.89Å; V406-A410 PolarHBondContact O-N 3.16Å; V406-L422 HydrophobicContact CB-CB 4.45Å; V406-L422 HydrophobicContact CB-CD2 4.22Å; V406-L422 HydrophobicContact CG1-CB 4.18Å; V406-L422 HydrophobicContact CG2-CB 4.43Å; V406-L422 HydrophobicContact CG2-CD1 4.01Å; V406-L422 HydrophobicContact CG2-CD2 4.06Å; V406-L422 HydrophobicContact CG2-CG 4.38Å; V406-L448 HydrophobicContact CG1-CD1 3.73Å
407A98.2Very high96.3Very high0 Ų037.4 Ų37.40%020%0.204CC..Hα-helixtrans-59.8-31.5170.500000112.2I403 T405 R411 A443 L446 L448I403-A407 WeakPolarHBondContact O-CB 3.48Å; I403-A407 PolarHBondContact O-N 3.34Å; T405-A407 PolarHBondContact O-N 3.31Å; A407-R411 VanDerWaalsContact O-CG 3.26Å; A407-R411 WeakPolarHBondContact O-CG 3.44Å; A407-R411 PolarHBondContact O-N 2.89Å; A407-R411 VanDerWaalsContact O-N 3.13Å; A407-R411 PolarHBondContact O-NH1 3.14Å; A407-A443 HydrophobicContact CB-CB 4Å; A407-L446 HydrophobicContact CB-CD1 3.76Å; A407-L446 WeakPolarHBondContact O-CD1 3.12Å; A407-L448 HydrophobicContact CB-CD2 4.35Å
408S97.3Very high96.3Very high62 Ų6238.7 Ų38.743%0.43421%0.209SC..Hα-helixtrans-72.2-29.8173.6-165.20000113.1N404 T405 V406 Q412N404-S408 PolarHBondContact O-N 3.1Å; T405-S408 WeakPolarHBondContact O-CA 3.45Å; T405-S408 VanDerWaalsContact O-CB 3.28Å; T405-S408 WeakPolarHBondContact O-CB 3.22Å; T405-S408 PolarHBondContact O-N 2.97Å; V406-S408 PolarHBondContact O-N 3.04Å; S408-Q412 PolarHBondContact O-NE2 2.87Å
409I94.7Very high96.4Very high30 Ų3037.4 Ų37.415%0.15420%0.203CC..Hα-helixtrans-71.4-52.2172.8-61.8170.6000108.9T405 V406 R411 Q412T405-I409 PolarHBondContact O-N 2.89Å; T405-I409 VanDerWaalsContact O-N 3.17Å; V406-I409 WeakPolarHBondContact O-CA 3.35Å; V406-I409 WeakPolarHBondContact O-CB 3.47Å; V406-I409 PolarHBondContact O-N 2.89Å; I409-R411 PolarHBondContact O-N 3.07Å; I409-R411 VanDerWaalsContact O-N 3.12Å; I409-Q412 VanDerWaalsContact O-CB 3.3Å; I409-Q412 WeakPolarHBondContact O-CB 3.42Å; I409-Q412 WeakPolarHBondContact O-CG 3.44Å; I409-Q412 PolarHBondContact O-N 2.88Å
410A97.2Very high96.4Very high0 Ų037.5 Ų37.50%020%0.203CC..Hα-helixtrans-57.8-30.6179.900000113.6V406 Q412 S413 L446 P447 L448V406-A410 PolarHBondContact O-N 3.16Å; A410-Q412 PolarHBondContact O-N 3.09Å; A410-S413 PolarHBondContact O-N 2.99Å; A410-L446 HydrophobicContact CB-CB 4.37Å; A410-P447 HydrophobicContact CB-CG 4.34Å; A410-P447 WeakPolarHBondContact O-CD 3.47Å; A410-P447 VanDerWaalsContact O-CG 3.26Å; A410-P447 WeakPolarHBondContact O-CG 3.34Å; A410-L448 HydrophobicContact CB-CB 4.12Å
411R97.2Very high96.4Very high109 Ų10937.2 Ų37.241%0.41120%0.2SC..G310 helixtrans-62.6-19.2174.3-84176.5-159.2111.84.9114.2A407 I409 S413 L446A407-R411 VanDerWaalsContact O-CG 3.26Å; A407-R411 WeakPolarHBondContact O-CG 3.44Å; A407-R411 PolarHBondContact O-N 2.89Å; A407-R411 VanDerWaalsContact O-N 3.13Å; A407-R411 PolarHBondContact O-NH1 3.14Å; I409-R411 PolarHBondContact O-N 3.07Å; I409-R411 VanDerWaalsContact O-N 3.12Å; R411-S413 VanDerWaalsContact C-N 3.33Å; R411-L446 HydrophobicContact CG-CD1 3.75Å; R411-L446 HydrophobicContact CG-CD2 3.41Å; R411-L446 VanDerWaalsContact CG-CD2 3.41Å; R411-L446 HydrophobicContact CG-CG 4.22Å
412Q95.1Very high96.4Very high153 Ų15335.1 Ų35.172%0.71519%0.187SC*.G310 helixtrans-78-22.3-178-59.3177.828.500112.1S408 I409 A410S408-Q412 PolarHBondContact O-NE2 2.87Å; I409-Q412 VanDerWaalsContact O-CB 3.3Å; I409-Q412 WeakPolarHBondContact O-CB 3.42Å; I409-Q412 WeakPolarHBondContact O-CG 3.44Å; I409-Q412 PolarHBondContact O-N 2.88Å; A410-Q412 PolarHBondContact O-N 3.09Å
413S93.4Very high96.4Very high17 Ų1735.1 Ų35.112%0.11919%0.187CC..G310 helixtrans-122.743-171.4-48.30000112.2A410 R411 D415 G416A410-S413 PolarHBondContact O-N 2.99Å; R411-S413 VanDerWaalsContact C-N 3.33Å; S413-D415 PolarHBondContact O-N 2.69Å; S413-G416 PolarHBondContact O-N 3.18Å
414V95.1Very high96.4Very high75 Ų7535.1 Ų35.146%0.45519%0.187SC..THydrogen-bonded Turntrans-68.9-10.5-178.1-65.50000114G416 Y521 I527V414-G416 PolarHBondContact O-N 2.93Å; V414-Y521 WeakPolarHBondContact CA-OH 3.19Å; V414-Y521 PolarHBondContact O-OH 3.34Å; V414-I527 WeakPolarHBondContact O-CD1 3.47Å
415D94.1Very high96.3Very high92 Ų9231.7 Ų31.749%0.49217%0.169SC..THydrogen-bonded Turntrans-75.1-7.7176.765.4-11.7000113.6S413 S417 I527S413-D415 PolarHBondContact O-N 2.69Å; D415-S417 WeakPolarHBondContact OD1-CB 3.48Å; D415-S417 PolarHBondContact OD1-N 3.44Å; D415-S417 PolarHBondContact OD1-OG 2.91Å; D415-I527 WeakPolarHBondContact O-CG2 3.43Å
416G92.5Very high96.3Very high0 Ų029.4 Ų29.40%016%0.155CC..THydrogen-bonded Turntrans86.59.4-179.500000114.1T290 S413 V414 Q418 M522T290-G416 WeakPolarHBondContact CG2-O 3.48Å; T290-G416 PolarHBondContact OG1-O 3.25Å; S413-G416 PolarHBondContact O-N 3.18Å; V414-G416 PolarHBondContact O-N 2.93Å; G416-Q418 VanDerWaalsContact C-N 3.27Å; G416-Q418 PolarHBondContact O-N 3.27Å; G416-M522 WeakPolarHBondContact O-CE 3.27Å
417S94.2Very high96.1Very high39 Ų3930 Ų3027%0.27316%0.158SC..THydrogen-bonded Turntrans-66.3-30.4171.756.80000113E291 D415E291-S417 PolarHBondContact N-O 3.03Å; D415-S417 WeakPolarHBondContact OD1-CB 3.48Å; D415-S417 PolarHBondContact OD1-N 3.44Å; D415-S417 PolarHBondContact OD1-OG 2.91Å
418Q95.2Very high95.2Very high37 Ų3730.2 Ų30.217%0.17316%0.16CC..EExtended strand (participates in β ladder)trans-138.7139.9178-171.9178.969.500110.4E291 G416E291-Q418 CarbonylContact O-C 3.05Å; E291-Q418 WeakPolarHBondContact O-CA 3.42Å; G416-Q418 VanDerWaalsContact C-N 3.27Å; G416-Q418 PolarHBondContact O-N 3.27Å
419Y96.9Very high94.5Very high0 Ų032.3 Ų32.30%017%0.165CC..EExtended strand (participates in β ladder)trans-118.5120.1174-167.2-89.8000109.9E291 L292 S293 I421 P447 L448 S449 Q517 L518 Y521E291-Y419 PolarHBondContact O-N 3.11Å; L292-Y419 HydrophobicContact CD2-CD1 4.36Å; S293-Y419 PolarHBondContact N-O 2.93Å; Y419-I421 HydrophobicContact CD1-CG1 4.37Å; Y419-P447 HydrophobicContact CD2-CB 3.73Å; Y419-P447 HydrophobicContact CE2-CB 4.18Å; Y419-L448 PolarHBondContact OH-O 3.46Å; Y419-S449 VanDerWaalsContact CE1-OG 3.28Å; Y419-S449 WeakPolarHBondContact CE1-OG 3.03Å; Y419-S449 PolarHBondContact OH-OG 3.46Å; Y419-Q517 PolarHBondContact OH-O 2.91Å; Y419-L518 HydrophobicContact CD1-CB 4.33Å; Y419-L518 HydrophobicContact CD1-CD1 4.01Å; Y419-L518 HydrophobicContact CD1-CG 4.32Å; Y419-L518 HydrophobicContact CD2-CB 4.14Å; Y419-L518 HydrophobicContact CD2-CD1 4.11Å; Y419-L518 HydrophobicContact CD2-CG 3.75Å; Y419-L518 HydrophobicContact CE1-CB 4.19Å; Y419-L518 HydrophobicContact CE2-CB 4.01Å; Y419-L518 HydrophobicContact CE2-CG 4.12Å; Y419-L518 HydrophobicContact CG-CB 4.3Å; Y419-L518 HydrophobicContact CG-CD1 3.69Å; Y419-L518 HydrophobicContact CG-CG 3.87Å; Y419-Y521 HydrophobicContact CD2-CD1 4.45Å; Y419-Y521 HydrophobicContact CE2-CD1 4.4Å; Y419-Y521 HydrophobicContact CE2-CG 4.25Å
420S97.3Very high94.2Very high2 Ų231.1 Ų31.11%0.01416%0.159CC..EExtended strand (participates in β ladder)trans-86.5140.3-176.4-59.30000111.7S293 P447 L448 S449S293-S420 CarbonylContact O-C 3.51Å; S293-S420 WeakPolarHBondContact O-CA 3.36Å; S420-P447 PolarHBondContact N-O 3.31Å; S420-L448 VanDerWaalsContact O-CA 3.31Å; S420-L448 WeakPolarHBondContact O-CA 3.28Å; S420-S449 PolarHBondContact O-N 2.91Å
421I97.6Very high94Very high0 Ų034.4 Ų34.40%018%0.182CC..EExtended strand (participates in β ladder)trans-122.3124.4171.9-58.4171.8000107.3L292 S293 C294 C295 I335 Y419 S449 I451 I514L292-I421 HydrophobicContact CD1-CD1 4.18Å; S293-I421 PolarHBondContact O-N 2.99Å; C294-I421 CarbonylContact C-O 3.16Å; C294-I421 WeakPolarHBondContact CA-O 3.41Å; C295-I421 PolarHBondContact N-O 3.46Å; I335-I421 HydrophobicContact CD1-CD1 3.84Å; Y419-I421 HydrophobicContact CD1-CG1 4.37Å; I421-S449 CarbonylContact C-O 3.52Å; I421-S449 WeakPolarHBondContact CA-O 3.24Å; I421-I451 HydrophobicContact CG2-CD1 3.62Å; I421-I451 HydrophobicContact CG2-CG1 4.23Å; I421-I514 HydrophobicContact CD1-CD1 4.48Å; I421-I514 HydrophobicContact CD1-CG2 3.82Å; I421-I514 HydrophobicContact CG1-CD1 4.43Å; I421-I514 HydrophobicContact CG1-CG2 4.47Å; I421-I514 HydrophobicContact CG2-CD1 4.35Å
422L98.3Very high94Very high0 Ų029.7 Ų29.70%017%0.165CC..EExtended strand (participates in β ladder)trans-101.9109.1172.3169.751.2000109.4C295 A297 I402 I403 V406 I424 L448 S449 I450 I451C295-L422 CarbonylContact O-C 3.49Å; C295-L422 WeakPolarHBondContact O-CA 3.37Å; A297-L422 HydrophobicContact CB-CD1 3.77Å; I402-L422 HydrophobicContact CG1-CD1 4.17Å; I403-L422 HydrophobicContact CB-CD2 4.47Å; I403-L422 HydrophobicContact CG1-CD2 3.9Å; V406-L422 HydrophobicContact CB-CB 4.45Å; V406-L422 HydrophobicContact CB-CD2 4.22Å; V406-L422 HydrophobicContact CG1-CB 4.18Å; V406-L422 HydrophobicContact CG2-CB 4.43Å; V406-L422 HydrophobicContact CG2-CD1 4.01Å; V406-L422 HydrophobicContact CG2-CD2 4.06Å; V406-L422 HydrophobicContact CG2-CG 4.38Å; L422-I424 HydrophobicContact CD1-CG1 3.93Å; L422-I424 HydrophobicContact CD2-CD1 4.01Å; L422-I424 HydrophobicContact CD2-CG1 4.12Å; L422-I424 HydrophobicContact CG-CD1 4.17Å; L422-I424 HydrophobicContact CG-CG1 3.74Å; L422-L448 HydrophobicContact CB-CD1 4.27Å; L422-S449 PolarHBondContact N-O 3.04Å; L422-I450 HydrophobicContact CB-CG1 4.35Å; L422-I450 HydrophobicContact CD2-CG1 4.5Å; L422-I450 HydrophobicContact CD2-CG2 4.42Å; L422-I450 HydrophobicContact CG-CG2 4.4Å; L422-I450 CarbonylContact O-C 3.52Å; L422-I450 WeakPolarHBondContact O-CA 3.27Å; L422-I451 PolarHBondContact O-N 2.87Å
423L98.1Very high94Very high1 Ų123.5 Ų23.51%0.00514%0.137CC..EExtended strand (participates in β ladder)trans-90.2109.3171.2176.864.5000110.3C295 A297 V331 L425 I451 V453C295-L423 PolarHBondContact O-N 3.25Å; A297-L423 PolarHBondContact N-O 3.03Å; V331-L423 HydrophobicContact CB-CD2 3.89Å; V331-L423 HydrophobicContact CG1-CD1 4.43Å; V331-L423 HydrophobicContact CG1-CD2 3.93Å; V331-L423 HydrophobicContact CG2-CD1 4.42Å; V331-L423 HydrophobicContact CG2-CD2 4.28Å; L423-L425 HydrophobicContact CD1-CD2 3.89Å; L423-L425 HydrophobicContact CD2-CD2 4.21Å; L423-L425 HydrophobicContact CG-CD2 3.94Å; L423-L425 HydrophobicContact CG-CG 4.36Å; L423-I451 CarbonylContact C-O 3.57Å; L423-I451 HydrophobicContact CD1-CB 4.23Å; L423-I451 HydrophobicContact CD1-CG2 4.21Å; L423-V453 HydrophobicContact CD1-CG2 3.78Å
424I98.1Very high94.2Very high0 Ų026.7 Ų26.70%016%0.157CC..EExtended strand (participates in β ladder)trans-99.5117.2174-51.3-176.3000109.1A297 F349 F399 I403 L422 I450 I451 I452 V453A297-I424 HydrophobicContact CB-CG1 4.25Å; A297-I424 WeakPolarHBondContact O-CA 3.42Å; F349-I424 HydrophobicContact CE1-CG2 3.99Å; F349-I424 HydrophobicContact CZ-CG2 3.89Å; F399-I424 HydrophobicContact CD1-CG2 4.31Å; F399-I424 HydrophobicContact CD2-CD1 4.1Å; F399-I424 HydrophobicContact CE1-CG2 3.89Å; F399-I424 HydrophobicContact CE2-CG2 4.11Å; F399-I424 HydrophobicContact CG-CD1 4.25Å; F399-I424 HydrophobicContact CZ-CG2 3.79Å; I403-I424 HydrophobicContact CD1-CD1 4.49Å; I403-I424 HydrophobicContact CG1-CD1 4.23Å; L422-I424 HydrophobicContact CD1-CG1 3.93Å; L422-I424 HydrophobicContact CD2-CD1 4.01Å; L422-I424 HydrophobicContact CD2-CG1 4.12Å; L422-I424 HydrophobicContact CG-CD1 4.17Å; L422-I424 HydrophobicContact CG-CG1 3.74Å; I424-I450 HydrophobicContact CD1-CG2 4.02Å; I424-I450 HydrophobicContact CG1-CG2 4.43Å; I424-I451 PolarHBondContact N-O 2.98Å; I424-I452 HydrophobicContact CB-CG1 4.38Å; I424-I452 HydrophobicContact CD1-CG1 4.4Å; I424-I452 WeakPolarHBondContact O-CA 3.02Å; I424-V453 PolarHBondContact O-N 2.92Å
425L97.6Very high94.3Very high0 Ų027.9 Ų27.90%016%0.158CC..EExtended strand (participates in β ladder)trans-101.1124.2169.5-52-176.8000108.1A297 I298 D299 Y324 A327 L328 L423 V453A297-L425 PolarHBondContact O-N 3.21Å; I298-L425 HydrophobicContact CG1-CD1 4.37Å; D299-L425 WeakPolarHBondContact CB-O 3.44Å; D299-L425 PolarHBondContact N-O 3Å; Y324-L425 HydrophobicContact CD1-CB 3.5Å; Y324-L425 VanDerWaalsContact CD1-CB 3.5Å; Y324-L425 HydrophobicContact CD1-CD1 4.04Å; Y324-L425 HydrophobicContact CD1-CG 4.43Å; Y324-L425 HydrophobicContact CE1-CB 3.57Å; Y324-L425 WeakPolarHBondContact CE1-O 3.43Å; A327-L425 HydrophobicContact CB-CD1 4.35Å; A327-L425 HydrophobicContact CB-CD2 3.91Å; L328-L425 HydrophobicContact CB-CD1 3.91Å; L423-L425 HydrophobicContact CD1-CD2 3.89Å; L423-L425 HydrophobicContact CD2-CD2 4.21Å; L423-L425 HydrophobicContact CG-CD2 3.94Å; L423-L425 HydrophobicContact CG-CG 4.36Å; L425-V453 HydrophobicContact CD2-CB 3.63Å; L425-V453 HydrophobicContact CD2-CG1 4.29Å; L425-V453 HydrophobicContact CD2-CG2 3.9Å
426T96.4Very high94.5Very high0 Ų023.5 Ų23.50%013%0.134CC..EExtended strand (participates in β ladder)trans-147.4155.4-176.1179.80000112.3D299 Y324 F399 G428 I452 V453 V455 M463D299-T426 WeakPolarHBondContact OD2-CB 3.49Å; D299-T426 PolarHBondContact OD2-OG1 3.11Å; Y324-T426 WeakPolarHBondContact OH-CA 3.35Å; F399-T426 HydrophobicContact CE1-CG2 4.44Å; F399-T426 HydrophobicContact CE2-CG2 4.38Å; F399-T426 HydrophobicContact CZ-CG2 3.57Å; T426-G428 PolarHBondContact OG1-N 2.85Å; T426-I452 HydrophobicContact CG2-CG2 4.03Å; T426-V453 PolarHBondContact N-O 3.12Å; T426-V455 WeakPolarHBondContact O-CB 3.35Å; T426-V455 PolarHBondContact O-N 3.01Å; T426-M463 HydrophobicContact CG2-CE 3.92Å
427D92.9Very high94.8Very high12 Ų1225 Ų256%0.06414%0.141CC..  trans-93.3-2.5172.570.5-39.6000114.6T301 S303 N304 L313 Y324 V455 A458T301-D427 PolarHBondContact OG1-OD1 2.99Å; S303-D427 WeakPolarHBondContact CB-OD2 3.19Å; S303-D427 PolarHBondContact OG-OD1 3.2Å; S303-D427 PolarHBondContact OG-OD2 3.29Å; N304-D427 PolarHBondContact N-OD2 3.17Å; N304-D427 PolarHBondContact ND2-OD1 3.01Å; N304-D427 VanDerWaalsContact OD1-CB 3.27Å; N304-D427 WeakPolarHBondContact OD1-CB 3.41Å; N304-D427 VanDerWaalsContact OD1-CG 3.3Å; L313-D427 HydrophobicContact CD1-CB 3.23Å; Y324-D427 PolarHBondContact OH-N 3.02Å; D427-V455 VanDerWaalsContact CA-O 3.25Å; D427-V455 WeakPolarHBondContact CA-O 3.42Å; D427-A458 WeakPolarHBondContact O-CB 3.31Å
428G79.3Confident95Very high5 Ų523.8 Ų23.85%0.05213%0.134CC..SBendtrans113171.8166.900000115.8T426T426-G428 PolarHBondContact OG1-N 2.85Å
429I83.2Confident95.1Very high106 Ų10622.2 Ų22.254%0.54413%0.126SC..  trans65.1108-172-50.9176.2000113.2T397 S431T397-I429 WeakPolarHBondContact CB-O 3.19Å; T397-I429 WeakPolarHBondContact CG2-O 3.3Å; I429-S431 PolarHBondContact O-N 3.01Å
430I89.1Confident95.2Very high5 Ų522.3 Ų22.33%0.02613%0.127CC..  trans-86.7115176.2-57.6174000108.3F399 D432 L433 T436 E462 M463 L466F399-I430 HydrophobicContact CD2-CD1 3.77Å; F399-I430 HydrophobicContact CD2-CG1 4Å; F399-I430 HydrophobicContact CE2-CD1 3.75Å; F399-I430 HydrophobicContact CE2-CG1 3.78Å; F399-I430 HydrophobicContact CZ-CG1 4.21Å; I430-D432 VanDerWaalsContact C-N 3.33Å; I430-D432 WeakPolarHBondContact CG2-OD1 3.41Å; I430-D432 PolarHBondContact O-N 2.95Å; I430-L433 HydrophobicContact CD1-CD1 4.21Å; I430-L433 HydrophobicContact CG2-CB 4.31Å; I430-T436 HydrophobicContact CD1-CG2 4.34Å; I430-T436 HydrophobicContact CG2-CG2 4.45Å; I430-E462 PolarHBondContact N-OE2 2.7Å; I430-M463 HydrophobicContact CD1-CE 3.81Å; I430-M463 HydrophobicContact CD1-SD 3.58Å; I430-M463 VanDerWaalsContact CD1-SD 3.58Å; I430-M463 HydrophobicContact CG1-CE 3.53Å; I430-M463 HydrophobicContact CG1-SD 4.03Å; I430-L466 HydrophobicContact CD1-CD1 3.3Å; I430-L466 HydrophobicContact CD1-CG 4.33Å
431S93.6Very high95.2Very high69 Ų6922.7 Ų22.748%0.48313%0.129SC..THydrogen-bonded Turntrans-76.6-21.3-179.7-59.40000113.3P396 T397 N398 I429P396-S431 VanDerWaalsContact CB-CB 3.47Å; P396-S431 WeakPolarHBondContact CB-OG 3.3Å; T397-S431 PolarHBondContact N-OG 3.36Å; T397-S431 WeakPolarHBondContact O-CB 3.17Å; T397-S431 PolarHBondContact O-N 2.85Å; N398-S431 WeakPolarHBondContact OD1-CB 3.36Å; I429-S431 PolarHBondContact O-N 3.01Å
432D95.6Very high95.2Very high10 Ų1026.6 Ų26.65%0.05315%0.15CC..THydrogen-bonded Turntrans-114.936.8-17971.9-17000113.4N398 F399 A400 I430 P434 Q435 T436N398-D432 WeakPolarHBondContact CA-OD1 3.36Å; N398-D432 HydrophobicContact CB-CB 4.32Å; N398-D432 WeakPolarHBondContact CB-OD2 3.44Å; N398-D432 WeakPolarHBondContact OD1-CB 3.08Å; F399-D432 PolarHBondContact N-OD1 3.47Å; F399-D432 PolarHBondContact N-OD2 3.13Å; A400-D432 WeakPolarHBondContact CB-OD2 3.32Å; A400-D432 PolarHBondContact N-OD2 3.22Å; I430-D432 VanDerWaalsContact C-N 3.33Å; I430-D432 WeakPolarHBondContact CG2-OD1 3.41Å; I430-D432 PolarHBondContact O-N 2.95Å; D432-P434 VanDerWaalsContact C-CD 3.47Å; D432-P434 VanDerWaalsContact O-N 3.15Å; D432-Q435 HydrophobicContact CB-CB 4.23Å; D432-Q435 WeakPolarHBondContact O-CA 3.38Å; D432-Q435 WeakPolarHBondContact O-CB 3.44Å; D432-Q435 PolarHBondContact O-N 3.31Å; D432-Q435 PolarHBondContact O-OE1 3.14Å; D432-T436 PolarHBondContact O-N 2.8Å; D432-T436 PolarHBondContact O-OG1 2.78Å; D432-T436 PolarHBondContact OD1-OG1 2.82Å
433L95.7Very high95.2Very high24 Ų2426.6 Ų26.613%0.12615%0.15CC..Hα-helixtrans-47.6-45.7-174.3-175.165.7000114.1I430 Q435 T436 K437 E462 L466I430-L433 HydrophobicContact CD1-CD1 4.21Å; I430-L433 HydrophobicContact CG2-CB 4.31Å; L433-Q435 VanDerWaalsContact C-N 3.32Å; L433-Q435 PolarHBondContact O-N 2.63Å; L433-T436 PolarHBondContact O-N 3.05Å; L433-K437 HydrophobicContact CD1-CG 4.32Å; L433-K437 HydrophobicContact CG-CD 4.43Å; L433-K437 WeakPolarHBondContact O-CG 3.26Å; L433-K437 PolarHBondContact O-N 3.36Å; L433-E462 HydrophobicContact CD1-CB 4.44Å; L433-E462 HydrophobicContact CD2-CB 4.46Å; L433-E462 HydrophobicContact CD2-CG 4.1Å; L433-L466 HydrophobicContact CD1-CD2 3.99Å; L433-L466 HydrophobicContact CD1-CG 4.3Å
434P96.9Very high95.2Very high83 Ų8326.7 Ų26.754%0.53915%0.151SC..Hα-helixtrans-60.7-36.7177.3-23.534.6000114.3D432 A438D432-P434 VanDerWaalsContact C-CD 3.47Å; D432-P434 VanDerWaalsContact O-N 3.15Å; P434-A438 PolarHBondContact O-N 3.15Å
435Q98.2Very high95.2Very high100 Ų10028.7 Ų28.747%0.46717%0.165SC..Hα-helixtrans-74.6-40.7178.1-66.183-27.600110.4A400 D432 L433 A438 A439A400-Q435 HydrophobicContact CB-CB 3.62Å; D432-Q435 HydrophobicContact CB-CB 4.23Å; D432-Q435 WeakPolarHBondContact O-CA 3.38Å; D432-Q435 WeakPolarHBondContact O-CB 3.44Å; D432-Q435 PolarHBondContact O-N 3.31Å; D432-Q435 PolarHBondContact O-OE1 3.14Å; L433-Q435 VanDerWaalsContact C-N 3.32Å; L433-Q435 PolarHBondContact O-N 2.63Å; Q435-A438 PolarHBondContact O-N 3.29Å; Q435-A439 WeakPolarHBondContact O-CB 3.26Å; Q435-A439 PolarHBondContact O-N 3.05Å
436T97.9Very high95.2Very high0 Ų029.3 Ų29.30%017%0.168CC..Hα-helixtrans-61.3-47.4176.1-70.30000111F399 A400 I403 I430 D432 L433 A438 A439 I440 L466F399-T436 HydrophobicContact CB-CG2 4Å; F399-T436 HydrophobicContact CD2-CG2 4.42Å; A400-T436 PolarHBondContact N-OG1 2.89Å; I403-T436 HydrophobicContact CD1-CG2 3.92Å; I430-T436 HydrophobicContact CD1-CG2 4.34Å; I430-T436 HydrophobicContact CG2-CG2 4.45Å; D432-T436 PolarHBondContact O-N 2.8Å; D432-T436 PolarHBondContact O-OG1 2.78Å; D432-T436 PolarHBondContact OD1-OG1 2.82Å; L433-T436 PolarHBondContact O-N 3.05Å; T436-A438 VanDerWaalsContact C-N 3.32Å; T436-A438 PolarHBondContact O-N 2.55Å; T436-A439 WeakPolarHBondContact O-CB 3.44Å; T436-A439 PolarHBondContact O-N 3.12Å; T436-A439 VanDerWaalsContact O-N 3.11Å; T436-I440 HydrophobicContact CG2-CD1 3.88Å; T436-I440 WeakPolarHBondContact O-CG1 3.34Å; T436-I440 PolarHBondContact O-N 3.08Å; T436-L466 HydrophobicContact CG2-CD1 3.72Å; T436-L466 HydrophobicContact CG2-CD2 4.36Å
437K98Very high95.3Very high31 Ų3129.3 Ų29.314%0.13517%0.168CC..Hα-helixtrans-57.3-43.6172.7-69.5-175.8179.9165.40112.6L433 A439 V441 E465 L466 L473L433-K437 HydrophobicContact CD1-CG 4.32Å; L433-K437 HydrophobicContact CG-CD 4.43Å; L433-K437 WeakPolarHBondContact O-CG 3.26Å; L433-K437 PolarHBondContact O-N 3.36Å; K437-A439 VanDerWaalsContact C-N 3.34Å; K437-A439 PolarHBondContact O-N 3.46Å; K437-V441 WeakPolarHBondContact O-CB 3.49Å; K437-V441 VanDerWaalsContact O-CG2 3.25Å; K437-V441 WeakPolarHBondContact O-CG2 3.5Å; K437-V441 PolarHBondContact O-N 3.17Å; K437-E465 VanDerWaalsContact CE-CD 3.48Å; K437-E465 WeakPolarHBondContact CE-OE1 3.39Å; K437-E465 WeakPolarHBondContact CE-OE2 3.5Å; K437-E465 IonicContact NZ-OE1 3.92Å; K437-E465 PolarHBondContact NZ-OE1 2.74Å; K437-E465 IonicContact NZ-OE2 2.65Å; K437-E465 PolarHBondContact NZ-OE2 2.84Å; K437-L466 HydrophobicContact CG-CD2 3.72Å; K437-L473 HydrophobicContact CD-CD1 4.24Å; K437-L473 HydrophobicContact CG-CD1 4.07Å
438A98.3Very high95.5Very high15 Ų1528.7 Ų28.712%0.12417%0.165CC..Hα-helixtrans-64.6-38.7177.600000112.2P434 Q435 T436 N442P434-A438 PolarHBondContact O-N 3.15Å; Q435-A438 PolarHBondContact O-N 3.29Å; T436-A438 VanDerWaalsContact C-N 3.32Å; T436-A438 PolarHBondContact O-N 2.55Å; A438-N442 VanDerWaalsContact O-CB 3.31Å; A438-N442 WeakPolarHBondContact O-CB 3.11Å; A438-N442 PolarHBondContact O-N 3.12Å; A438-N442 PolarHBondContact O-ND2 3.39Å
439A98.5Very high96.4Very high3 Ų328.5 Ų28.53%0.02516%0.162CC..Hα-helixtrans-64.9-46.5177.500000111.4A400 I403 Q435 T436 K437 N442 A443A400-A439 HydrophobicContact CB-CB 4.43Å; I403-A439 HydrophobicContact CB-CB 4.08Å; I403-A439 HydrophobicContact CG2-CB 3.65Å; Q435-A439 WeakPolarHBondContact O-CB 3.26Å; Q435-A439 PolarHBondContact O-N 3.05Å; T436-A439 WeakPolarHBondContact O-CB 3.44Å; T436-A439 PolarHBondContact O-N 3.12Å; T436-A439 VanDerWaalsContact O-N 3.11Å; K437-A439 VanDerWaalsContact C-N 3.34Å; K437-A439 PolarHBondContact O-N 3.46Å; A439-N442 PolarHBondContact O-N 2.92Å; A439-A443 VanDerWaalsContact O-CB 3.3Å; A439-A443 WeakPolarHBondContact O-CB 3.28Å; A439-A443 PolarHBondContact O-N 2.81Å
440I98.4Very high97.2Very high2 Ų223.4 Ų23.41%0.0114%0.137CC..Hα-helixtrans-62.5-49.5177.6-64.8162.8000110.9I403 T436 N442 A443 S444 I450 L466 L473 I484 V485I403-I440 HydrophobicContact CD1-CD1 4.26Å; I403-I440 HydrophobicContact CD1-CG1 3.93Å; T436-I440 HydrophobicContact CG2-CD1 3.88Å; T436-I440 WeakPolarHBondContact O-CG1 3.34Å; T436-I440 PolarHBondContact O-N 3.08Å; I440-N442 VanDerWaalsContact C-N 3.29Å; I440-N442 PolarHBondContact O-N 3.49Å; I440-A443 CarbonylContact O-C 3.47Å; I440-A443 PolarHBondContact O-N 2.82Å; I440-S444 PolarHBondContact O-N 3.23Å; I440-I450 HydrophobicContact CG1-CD1 4Å; I440-L466 HydrophobicContact CD1-CB 4.36Å; I440-L466 HydrophobicContact CD1-CD1 3.93Å; I440-L466 HydrophobicContact CD1-CD2 3.75Å; I440-L466 HydrophobicContact CD1-CG 4.24Å; I440-L473 HydrophobicContact CB-CD2 3.73Å; I440-L473 HydrophobicContact CD1-CD2 4.06Å; I440-L473 HydrophobicContact CG2-CD2 3.47Å; I440-L473 VanDerWaalsContact CG2-CD2 3.47Å; I440-I484 HydrophobicContact CG2-CD1 4.08Å; I440-I484 HydrophobicContact CG2-CG1 4.03Å; I440-V485 HydrophobicContact CD1-CG2 4.05Å; I440-V485 HydrophobicContact CG1-CG2 4.34Å; I440-V485 HydrophobicContact CG2-CG2 3.67Å
441V98.2Very high97.6Very high10 Ų1023.2 Ų23.26%0.06114%0.135CC..Hα-helixtrans-58.3-42.6178.1170.70000111.2K437 A443 S444 L473 K478 A480K437-V441 WeakPolarHBondContact O-CB 3.49Å; K437-V441 VanDerWaalsContact O-CG2 3.25Å; K437-V441 WeakPolarHBondContact O-CG2 3.5Å; K437-V441 PolarHBondContact O-N 3.17Å; V441-A443 VanDerWaalsContact C-N 3.29Å; V441-A443 PolarHBondContact O-N 3.04Å; V441-S444 PolarHBondContact O-N 3.09Å; V441-S444 PolarHBondContact O-OG 3.21Å; V441-L473 HydrophobicContact CG2-CD2 4.41Å; V441-L473 HydrophobicContact CG2-CG 4.32Å; V441-K478 HydrophobicContact CG1-CB 3.91Å; V441-A480 HydrophobicContact CG2-CB 4.22Å
442N97.9Very high97.7Very high83 Ų8319.9 Ų19.944%0.44411%0.112SC..Hα-helixtrans-69.5-25176.7-71-28.7000113.5A438 A439 I440A438-N442 VanDerWaalsContact O-CB 3.31Å; A438-N442 WeakPolarHBondContact O-CB 3.11Å; A438-N442 PolarHBondContact O-N 3.12Å; A438-N442 PolarHBondContact O-ND2 3.39Å; A439-N442 PolarHBondContact O-N 2.92Å; I440-N442 VanDerWaalsContact C-N 3.29Å; I440-N442 PolarHBondContact O-N 3.49Å
443A98.2Very high97.7Very high0 Ų019.4 Ų19.40%011%0.11CC..Hα-helixtrans-89.7-16.3178.800000113.3A407 A439 I440 V441 S445 L446 L448 I484A407-A443 HydrophobicContact CB-CB 4Å; A439-A443 VanDerWaalsContact O-CB 3.3Å; A439-A443 WeakPolarHBondContact O-CB 3.28Å; A439-A443 PolarHBondContact O-N 2.81Å; I440-A443 CarbonylContact O-C 3.47Å; I440-A443 PolarHBondContact O-N 2.82Å; V441-A443 VanDerWaalsContact C-N 3.29Å; V441-A443 PolarHBondContact O-N 3.04Å; A443-S445 PolarHBondContact O-N 3.43Å; A443-L446 HydrophobicContact CB-CD1 4.23Å; A443-L446 VanDerWaalsContact O-CB 3.27Å; A443-L446 WeakPolarHBondContact O-CB 3.15Å; A443-L446 PolarHBondContact O-N 2.9Å; A443-L448 HydrophobicContact CB-CD2 3.95Å; A443-I484 HydrophobicContact CB-CD1 4.18Å
444S97.7Very high97.7Very high2 Ų218.3 Ų18.31%0.01410%0.104CC..THydrogen-bonded Turntrans-57.3-16.9-178.268.50000115.4I440 V441 A480 I481 R482I440-S444 PolarHBondContact O-N 3.23Å; V441-S444 PolarHBondContact O-N 3.09Å; V441-S444 PolarHBondContact O-OG 3.21Å; S444-A480 WeakPolarHBondContact OG-CA 3.48Å; S444-I481 PolarHBondContact OG-N 2.74Å; S444-R482 PolarHBondContact O-NE 2.65Å; S444-R482 PolarHBondContact O-NH2 3.3Å
445S97.1Very high97.5Very high42 Ų4214.3 Ų14.329%0.2948%0.078SC..THydrogen-bonded Turntrans-92.7-3.8175.670.60000114.6A443 Y521A443-S445 PolarHBondContact O-N 3.43Å; S445-Y521 WeakPolarHBondContact O-CE2 3.35Å
446L98.4Very high97.2Very high13 Ų1310 Ų107%0.0686%0.06CC..SBendtrans-98.3163.5-173.9-58178.5000111.4A407 A410 R411 A443 L448 R482 Y521A407-L446 HydrophobicContact CB-CD1 3.76Å; A407-L446 WeakPolarHBondContact O-CD1 3.12Å; A410-L446 HydrophobicContact CB-CB 4.37Å; R411-L446 HydrophobicContact CG-CD1 3.75Å; R411-L446 HydrophobicContact CG-CD2 3.41Å; R411-L446 VanDerWaalsContact CG-CD2 3.41Å; R411-L446 HydrophobicContact CG-CG 4.22Å; A443-L446 HydrophobicContact CB-CD1 4.23Å; A443-L446 VanDerWaalsContact O-CB 3.27Å; A443-L446 WeakPolarHBondContact O-CB 3.15Å; A443-L446 PolarHBondContact O-N 2.9Å; L446-L448 HydrophobicContact CB-CB 4.36Å; L446-L448 PolarHBondContact O-N 3.25Å; L446-R482 PolarHBondContact O-NH2 3.3Å; L446-Y521 WeakPolarHBondContact O-CD2 3.43Å
447P98Very high96.8Very high0 Ų015.4 Ų15.40%010%0.095CC..SBendtrans-74.667.3171.931.1-33.7000110.2A410 Y419 S420 Y521A410-P447 HydrophobicContact CB-CG 4.34Å; A410-P447 WeakPolarHBondContact O-CD 3.47Å; A410-P447 VanDerWaalsContact O-CG 3.26Å; A410-P447 WeakPolarHBondContact O-CG 3.34Å; Y419-P447 HydrophobicContact CD2-CB 3.73Å; Y419-P447 HydrophobicContact CE2-CB 4.18Å; S420-P447 PolarHBondContact N-O 3.31Å; P447-Y521 HydrophobicContact CB-CD1 3.87Å; P447-Y521 HydrophobicContact CB-CD2 4.41Å; P447-Y521 HydrophobicContact CB-CE1 3.57Å; P447-Y521 HydrophobicContact CB-CE2 4.11Å; P447-Y521 HydrophobicContact CB-CG 4.3Å; P447-Y521 HydrophobicContact CG-CE1 4.26Å; P447-Y521 HydrophobicContact CG-CE2 4.46Å; P447-Y521 VanDerWaalsContact N-CE2 3.3Å
448L98.3Very high96.3Very high0 Ų015.2 Ų15.20%010%0.099CC..EExtended strand (participates in β ladder)trans-137.5134.3-175.1179.763.9000110.5V406 A407 A410 Y419 S420 L422 A443 L446 I450 R482 I484V406-L448 HydrophobicContact CG1-CD1 3.73Å; A407-L448 HydrophobicContact CB-CD2 4.35Å; A410-L448 HydrophobicContact CB-CB 4.12Å; Y419-L448 PolarHBondContact OH-O 3.46Å; S420-L448 VanDerWaalsContact O-CA 3.31Å; S420-L448 WeakPolarHBondContact O-CA 3.28Å; L422-L448 HydrophobicContact CB-CD1 4.27Å; A443-L448 HydrophobicContact CB-CD2 3.95Å; L446-L448 HydrophobicContact CB-CB 4.36Å; L446-L448 PolarHBondContact O-N 3.25Å; L448-I450 HydrophobicContact CD2-CD1 4.28Å; L448-I450 HydrophobicContact CD2-CG1 4.13Å; L448-I450 HydrophobicContact CG-CG1 4.14Å; L448-R482 PolarHBondContact O-NH2 3.08Å; L448-I484 WeakPolarHBondContact O-CG2 3.39Å
449S98.2Very high95.8Very high0 Ų019.1 Ų19.10%012%0.118CC..EExtended strand (participates in β ladder)trans-116.9147.3160.7-690000110Y419 S420 I421 L422 I484 Q517Y419-S449 VanDerWaalsContact CE1-OG 3.28Å; Y419-S449 WeakPolarHBondContact CE1-OG 3.03Å; Y419-S449 PolarHBondContact OH-OG 3.46Å; S420-S449 PolarHBondContact O-N 2.91Å; I421-S449 CarbonylContact C-O 3.52Å; I421-S449 WeakPolarHBondContact CA-O 3.24Å; L422-S449 PolarHBondContact N-O 3.04Å; S449-I484 CarbonylContact C-O 3.49Å; S449-I484 WeakPolarHBondContact CA-O 3.46Å; S449-Q517 WeakPolarHBondContact OG-CB 3.49Å; S449-Q517 PolarHBondContact OG-OE1 2.99Å
450I98.3Very high95.4Very high0 Ų019.2 Ų19.20%012%0.118CC..EExtended strand (participates in β ladder)trans-124.2116.9-179.3-57.6172.3000107.1I403 L422 I424 I440 L448 I452 I484 V485 Q486I403-I450 HydrophobicContact CD1-CD1 4.43Å; I403-I450 HydrophobicContact CG1-CD1 4.3Å; I403-I450 HydrophobicContact CG2-CD1 3.95Å; L422-I450 HydrophobicContact CB-CG1 4.35Å; L422-I450 HydrophobicContact CD2-CG1 4.5Å; L422-I450 HydrophobicContact CD2-CG2 4.42Å; L422-I450 HydrophobicContact CG-CG2 4.4Å; L422-I450 CarbonylContact O-C 3.52Å; L422-I450 WeakPolarHBondContact O-CA 3.27Å; I424-I450 HydrophobicContact CD1-CG2 4.02Å; I424-I450 HydrophobicContact CG1-CG2 4.43Å; I440-I450 HydrophobicContact CG1-CD1 4Å; L448-I450 HydrophobicContact CD2-CD1 4.28Å; L448-I450 HydrophobicContact CD2-CG1 4.13Å; L448-I450 HydrophobicContact CG-CG1 4.14Å; I450-I452 HydrophobicContact CG2-CG1 4.07Å; I450-I484 HydrophobicContact CD1-CD1 3.95Å; I450-I484 HydrophobicContact CG1-CD1 4.39Å; I450-I484 PolarHBondContact N-O 2.87Å; I450-V485 HydrophobicContact CB-CG2 4.41Å; I450-V485 CarbonylContact O-C 3.57Å; I450-V485 VanDerWaalsContact O-CA 3.24Å; I450-V485 WeakPolarHBondContact O-CA 3.49Å; I450-Q486 PolarHBondContact O-N 3.36Å
451I97.3Very high95Very high0 Ų023.8 Ų23.80%014%0.143CC..EExtended strand (participates in β ladder)trans-106.4127.9174.9-53162.8000108.4I421 L422 L423 I424 V453 Q486 V510 L511 I514I421-I451 HydrophobicContact CG2-CD1 3.62Å; I421-I451 HydrophobicContact CG2-CG1 4.23Å; L422-I451 PolarHBondContact O-N 2.87Å; L423-I451 CarbonylContact C-O 3.57Å; L423-I451 HydrophobicContact CD1-CB 4.23Å; L423-I451 HydrophobicContact CD1-CG2 4.21Å; I424-I451 PolarHBondContact N-O 2.98Å; I451-V453 HydrophobicContact CG2-CG2 4.35Å; I451-Q486 CarbonylContact C-O 3.58Å; I451-Q486 WeakPolarHBondContact CA-O 3.41Å; I451-V510 HydrophobicContact CD1-CG1 4.06Å; I451-V510 HydrophobicContact CG2-CB 4.3Å; I451-V510 HydrophobicContact CG2-CG1 3.49Å; I451-V510 VanDerWaalsContact CG2-CG1 3.49Å; I451-L511 HydrophobicContact CD1-CD2 3.8Å; I451-I514 HydrophobicContact CD1-CD1 3.91Å; I451-I514 HydrophobicContact CD1-CG1 4.13Å; I451-I514 HydrophobicContact CG1-CD1 4.01Å
452I96.4Very high94.6Very high0 Ų026.6 Ų26.60%016%0.155CC..EExtended strand (participates in β ladder)trans-114.6116178.7-54.3177.3000108.5F399 I424 T426 I450 M463 L466 V485 Q486 F487 V488F399-I452 HydrophobicContact CE2-CD1 4.28Å; F399-I452 HydrophobicContact CE2-CG2 4.32Å; I424-I452 HydrophobicContact CB-CG1 4.38Å; I424-I452 HydrophobicContact CD1-CG1 4.4Å; I424-I452 WeakPolarHBondContact O-CA 3.02Å; T426-I452 HydrophobicContact CG2-CG2 4.03Å; I450-I452 HydrophobicContact CG2-CG1 4.07Å; I452-M463 HydrophobicContact CD1-SD 4.23Å; I452-M463 HydrophobicContact CG2-CE 4.41Å; I452-M463 HydrophobicContact CG2-SD 3.81Å; I452-L466 HydrophobicContact CD1-CD1 4.14Å; I452-V485 HydrophobicContact CD1-CG1 4.01Å; I452-V485 HydrophobicContact CG1-CG1 4.44Å; I452-Q486 PolarHBondContact N-O 2.75Å; I452-F487 HydrophobicContact CB-CD2 4.12Å; I452-F487 HydrophobicContact CG2-CD2 4.03Å; I452-F487 WeakPolarHBondContact O-CA 3.13Å; I452-F487 WeakPolarHBondContact O-CD2 3.43Å; I452-V488 PolarHBondContact O-N 3Å
453V95.7Very high94.3Very high0 Ų022.8 Ų22.80%013%0.134CC..EExtended strand (participates in β ladder)trans-102.9110.9175.3-176.40000109.5A327 L423 I424 L425 T426 I451 V455 V488 F490 L506 V510A327-V453 HydrophobicContact CB-CG1 4.25Å; L423-V453 HydrophobicContact CD1-CG2 3.78Å; I424-V453 PolarHBondContact O-N 2.92Å; L425-V453 HydrophobicContact CD2-CB 3.63Å; L425-V453 HydrophobicContact CD2-CG1 4.29Å; L425-V453 HydrophobicContact CD2-CG2 3.9Å; T426-V453 PolarHBondContact N-O 3.12Å; I451-V453 HydrophobicContact CG2-CG2 4.35Å; V453-V455 HydrophobicContact CG1-CG2 4.44Å; V453-V455 PolarHBondContact O-N 3.09Å; V453-V488 CarbonylContact C-O 3.58Å; V453-V488 VanDerWaalsContact CA-O 3.31Å; V453-V488 WeakPolarHBondContact CA-O 3.19Å; V453-F490 HydrophobicContact CG1-CB 4.01Å; V453-F490 HydrophobicContact CG1-CD2 4.24Å; V453-L506 HydrophobicContact CG1-CD1 4.32Å; V453-V510 HydrophobicContact CG2-CG1 4.5Å; V453-V510 HydrophobicContact CG2-CG2 3.91Å
454G95.5Very high93.9Very high0 Ų028.5 Ų28.50%016%0.161CC..EExtended strand (participates in β ladder)trans-79.5112.7176.800000111.8F460 V488 F490G454-F460 VanDerWaalsContact C-CZ 3.49Å; G454-F460 VanDerWaalsContact CA-CE1 3.5Å; G454-F460 VanDerWaalsContact CA-CZ 3.47Å; G454-V488 PolarHBondContact N-O 3.4Å; G454-F490 VanDerWaalsContact O-CB 3.27Å; G454-F490 WeakPolarHBondContact O-CB 3.45Å; G454-F490 PolarHBondContact O-N 3.3Å
455V94Very high93.7Very high0 Ų033 Ų330%018%0.182CC..  trans-99.9141-178.3-179.20000110.3Q323 Y324 T426 D427 V453Q323-V455 HydrophobicContact CB-CG1 3.54Å; Q323-V455 HydrophobicContact CG-CG1 4.41Å; Y324-V455 HydrophobicContact CD2-CB 4.43Å; Y324-V455 HydrophobicContact CD2-CG1 3.86Å; Y324-V455 HydrophobicContact CD2-CG2 4.47Å; Y324-V455 HydrophobicContact CE1-CG2 4.39Å; Y324-V455 HydrophobicContact CE2-CB 3.98Å; Y324-V455 HydrophobicContact CE2-CG1 3.68Å; Y324-V455 HydrophobicContact CE2-CG2 4.33Å; T426-V455 WeakPolarHBondContact O-CB 3.35Å; T426-V455 PolarHBondContact O-N 3.01Å; D427-V455 VanDerWaalsContact CA-O 3.25Å; D427-V455 WeakPolarHBondContact CA-O 3.42Å; V453-V455 HydrophobicContact CG1-CG2 4.44Å; V453-V455 PolarHBondContact O-N 3.09Å
456G91.4Very high93.6Very high8 Ų831 Ų318%0.08217%0.168CC..SBendtrans78.9-163.2176.600000115.5
457P89.6Confident93.3Very high114 Ų11431.2 Ų31.274%0.7417%0.169SC*.SBendtrans-95.82.8-16337.1-36.7000115.1R491P457-R491 PolarHBondContact O-NH1 3.49Å
458A87.3Confident92.9Very high27 Ų2731.4 Ų31.422%0.22317%0.171CC..  trans-62.8169.7-17300000113.9D427 F460 R491D427-A458 WeakPolarHBondContact O-CB 3.31Å; A458-F460 HydrophobicContact CB-CE1 4.36Å; A458-F460 HydrophobicContact CB-CZ 4.38Å; A458-R491 PolarHBondContact O-NH1 2.98Å
459N87.5Confident92.4Very high98 Ų9836.1 Ų36.152%0.52420%0.197SC..  trans-82.1132.6169.3-170.32.8000109.7D461N459-D461 VanDerWaalsContact ND2-CG 3.33Å; N459-D461 PolarHBondContact ND2-OD2 2.64Å; N459-D461 PolarHBondContact OD1-N 2.96Å; N459-D461 VanDerWaalsContact OD1-N 3.16Å; N459-D461 PolarHBondContact OD1-OD1 2.74Å; N459-D461 PolarHBondContact OD1-OD2 3.48Å
460F89Confident91.8Very high5 Ų545.3 Ų45.32%0.02224%0.24CC..  trans-114.915.9-177-59.4-64.6000113.3G454 A458 E462 M463 E464 F487 P489G454-F460 VanDerWaalsContact C-CZ 3.49Å; G454-F460 VanDerWaalsContact CA-CE1 3.5Å; G454-F460 VanDerWaalsContact CA-CZ 3.47Å; A458-F460 HydrophobicContact CB-CE1 4.36Å; A458-F460 HydrophobicContact CB-CZ 4.38Å; F460-E462 PolarHBondContact O-N 3Å; F460-E462 VanDerWaalsContact O-N 3.14Å; F460-M463 HydrophobicContact CB-CB 4.23Å; F460-M463 HydrophobicContact CB-CG 4.12Å; F460-M463 HydrophobicContact CD1-CG 4.02Å; F460-M463 WeakPolarHBondContact O-CA 3.46Å; F460-M463 VanDerWaalsContact O-CB 3.28Å; F460-M463 WeakPolarHBondContact O-CB 3.5Å; F460-M463 PolarHBondContact O-N 3.25Å; F460-E464 PolarHBondContact O-N 3.14Å; F460-E464 VanDerWaalsContact O-N 3.11Å; F460-F487 HydrophobicContact CB-CE1 3.66Å; F460-F487 HydrophobicContact CB-CE2 4.15Å; F460-F487 HydrophobicContact CB-CZ 3.29Å; F460-F487 HydrophobicContact CD1-CE2 4.09Å; F460-F487 AromaticContact CD1-CZ 3.9Å; F460-F487 HydrophobicContact CD1-CZ 3.9Å; F460-F487 AromaticContact CD2-CZ 3.79Å; F460-F487 HydrophobicContact CD2-CZ 3.79Å; F460-F487 HydrophobicContact CG-CE1 4.24Å; F460-F487 HydrophobicContact CG-CE2 4.07Å; F460-F487 AromaticContact CG-CZ 3.4Å; F460-F487 HydrophobicContact CG-CZ 3.4Å; F460-P489 HydrophobicContact CD2-CB 4.16Å; F460-P489 HydrophobicContact CE2-CB 4.29Å
461D90.5Very high91.4Very high98 Ų9850.6 Ų50.652%0.52427%0.272SS..Hα-helixtrans-50.3-39.4176.8-63.2-16.3000112.9N459 M463 E464 E465N459-D461 VanDerWaalsContact ND2-CG 3.33Å; N459-D461 PolarHBondContact ND2-OD2 2.64Å; N459-D461 PolarHBondContact OD1-N 2.96Å; N459-D461 VanDerWaalsContact OD1-N 3.16Å; N459-D461 PolarHBondContact OD1-OD1 2.74Å; N459-D461 PolarHBondContact OD1-OD2 3.48Å; D461-M463 VanDerWaalsContact C-N 3.27Å; D461-M463 PolarHBondContact O-N 2.84Å; D461-E464 PolarHBondContact O-N 2.85Å; D461-E465 PolarHBondContact O-N 2.84Å; D461-E465 VanDerWaalsContact O-N 3.17Å
462E90.7Very high91.3Very high69 Ų6955.1 Ų55.132%0.32229%0.288SS..Hα-helixtrans-66.7-28.7176.5-66.6-178.3165.300112.7I430 L433 F460 L466I430-E462 PolarHBondContact N-OE2 2.7Å; L433-E462 HydrophobicContact CD1-CB 4.44Å; L433-E462 HydrophobicContact CD2-CB 4.46Å; L433-E462 HydrophobicContact CD2-CG 4.1Å; F460-E462 PolarHBondContact O-N 3Å; F460-E462 VanDerWaalsContact O-N 3.14Å; E462-L466 WeakPolarHBondContact O-CG 3.29Å; E462-L466 PolarHBondContact O-N 2.91Å
463M91.7Very high91.3Very high2 Ų255.5 Ų55.51%0.0129%0.291CS..Hα-helixtrans-76-38.4177.6-54.9-65.4179.900111.2F399 T426 I430 I452 F460 D461 E465 L466 D467 F487F399-M463 HydrophobicContact CE2-CE 3.68Å; F399-M463 HydrophobicContact CE2-SD 3.99Å; F399-M463 HydrophobicContact CZ-CE 3.79Å; T426-M463 HydrophobicContact CG2-CE 3.92Å; I430-M463 HydrophobicContact CD1-CE 3.81Å; I430-M463 HydrophobicContact CD1-SD 3.58Å; I430-M463 VanDerWaalsContact CD1-SD 3.58Å; I430-M463 HydrophobicContact CG1-CE 3.53Å; I430-M463 HydrophobicContact CG1-SD 4.03Å; I452-M463 HydrophobicContact CD1-SD 4.23Å; I452-M463 HydrophobicContact CG2-CE 4.41Å; I452-M463 HydrophobicContact CG2-SD 3.81Å; F460-M463 HydrophobicContact CB-CB 4.23Å; F460-M463 HydrophobicContact CB-CG 4.12Å; F460-M463 HydrophobicContact CD1-CG 4.02Å; F460-M463 WeakPolarHBondContact O-CA 3.46Å; F460-M463 VanDerWaalsContact O-CB 3.28Å; F460-M463 WeakPolarHBondContact O-CB 3.5Å; F460-M463 PolarHBondContact O-N 3.25Å; D461-M463 VanDerWaalsContact C-N 3.27Å; D461-M463 PolarHBondContact O-N 2.84Å; M463-E465 PolarHBondContact O-N 3.47Å; M463-L466 WeakPolarHBondContact O-CB 3.31Å; M463-L466 PolarHBondContact O-N 2.93Å; M463-D467 PolarHBondContact O-N 3.24Å; M463-F487 HydrophobicContact CB-CB 4.27Å; M463-F487 HydrophobicContact CB-CD1 3.84Å; M463-F487 HydrophobicContact CB-CD2 3.41Å; M463-F487 VanDerWaalsContact CB-CD2 3.41Å; M463-F487 HydrophobicContact CB-CE1 4.05Å; M463-F487 HydrophobicContact CB-CE2 3.65Å; M463-F487 HydrophobicContact CB-CG 3.53Å; M463-F487 HydrophobicContact CB-CZ 3.99Å; M463-F487 HydrophobicContact CG-CD2 3.95Å; M463-F487 HydrophobicContact CG-CE2 3.84Å; M463-F487 HydrophobicContact CG-CZ 4.34Å
464E90.3Very high91.3Very high121 Ų12158.7 Ų58.757%0.56531%0.313SS*.Hα-helixtrans-61.1-35.5172.3-65.1177-178.400110.9F460 D461 L466 D467 F487F460-E464 PolarHBondContact O-N 3.14Å; F460-E464 VanDerWaalsContact O-N 3.11Å; D461-E464 PolarHBondContact O-N 2.85Å; E464-L466 VanDerWaalsContact C-N 3.34Å; E464-L466 PolarHBondContact O-N 3.06Å; E464-D467 WeakPolarHBondContact O-CB 3.37Å; E464-D467 PolarHBondContact O-N 2.88Å; E464-F487 HydrophobicContact CG-CD1 4.21Å; E464-F487 HydrophobicContact CG-CE1 4.35Å
465E92.2Very high91.4Very high96 Ų9659.5 Ų59.545%0.44932%0.318SS..Hα-helixtrans-65.7-35.2172.1-170.9-177.4-176.100112.6K437 D461 M463 L473K437-E465 VanDerWaalsContact CE-CD 3.48Å; K437-E465 WeakPolarHBondContact CE-OE1 3.39Å; K437-E465 WeakPolarHBondContact CE-OE2 3.5Å; K437-E465 IonicContact NZ-OE1 3.92Å; K437-E465 PolarHBondContact NZ-OE1 2.74Å; K437-E465 IonicContact NZ-OE2 2.65Å; K437-E465 PolarHBondContact NZ-OE2 2.84Å; D461-E465 PolarHBondContact O-N 2.84Å; D461-E465 VanDerWaalsContact O-N 3.17Å; M463-E465 PolarHBondContact O-N 3.47Å; E465-L473 WeakPolarHBondContact O-CD1 3.28Å
466L94.8Very high91.4Very high1 Ų169.9 Ų69.91%0.00536%0.358CS..Hα-helixtrans-72.9-32.2177.6-68.5-172.8000113.2I430 L433 T436 K437 I440 I452 E462 M463 E464 G468 L473 V485I430-L466 HydrophobicContact CD1-CD1 3.3Å; I430-L466 HydrophobicContact CD1-CG 4.33Å; L433-L466 HydrophobicContact CD1-CD2 3.99Å; L433-L466 HydrophobicContact CD1-CG 4.3Å; T436-L466 HydrophobicContact CG2-CD1 3.72Å; T436-L466 HydrophobicContact CG2-CD2 4.36Å; K437-L466 HydrophobicContact CG-CD2 3.72Å; I440-L466 HydrophobicContact CD1-CB 4.36Å; I440-L466 HydrophobicContact CD1-CD1 3.93Å; I440-L466 HydrophobicContact CD1-CD2 3.75Å; I440-L466 HydrophobicContact CD1-CG 4.24Å; I452-L466 HydrophobicContact CD1-CD1 4.14Å; E462-L466 WeakPolarHBondContact O-CG 3.29Å; E462-L466 PolarHBondContact O-N 2.91Å; M463-L466 WeakPolarHBondContact O-CB 3.31Å; M463-L466 PolarHBondContact O-N 2.93Å; E464-L466 VanDerWaalsContact C-N 3.34Å; E464-L466 PolarHBondContact O-N 3.06Å; L466-G468 VanDerWaalsContact C-N 3.29Å; L466-G468 PolarHBondContact O-N 3.35Å; L466-L473 HydrophobicContact CD2-CD1 4.14Å; L466-L473 HydrophobicContact CD2-CD2 4.13Å; L466-V485 HydrophobicContact CB-CG1 4.29Å; L466-V485 WeakPolarHBondContact O-CB 3.06Å
467D93.1Very high91.5Very high17 Ų1773.5 Ų73.59%0.09140%0.395CS..Hα-helixtrans-53.7-46.8179.3-14411.2000111M463 E464 D469 Q486 F487M463-D467 PolarHBondContact O-N 3.24Å; E464-D467 WeakPolarHBondContact O-CB 3.37Å; E464-D467 PolarHBondContact O-N 2.88Å; D467-D469 VanDerWaalsContact C-N 3.29Å; D467-D469 PolarHBondContact O-N 3.02Å; D467-Q486 WeakPolarHBondContact OD1-CA 3.3Å; D467-F487 HydrophobicContact CB-CB 4.29Å; D467-F487 PolarHBondContact OD1-N 3Å
468G88.2Confident91.8Very high4 Ų474.4 Ų74.44%0.04139%0.387CS..  trans81.21.9170.400000115.6L466 E470 V471 R472L466-G468 VanDerWaalsContact C-N 3.29Å; L466-G468 PolarHBondContact O-N 3.35Å; G468-E470 PolarHBondContact O-N 3.28Å; G468-V471 WeakPolarHBondContact CA-O 3.2Å; G468-V471 CarbonylContact O-C 3.58Å; G468-V471 PolarHBondContact O-N 2.92Å; G468-R472 PolarHBondContact O-N 3.2Å
469D87.8Confident92.2Very high99 Ų9977.2 Ų77.253%0.52940%0.402SS..SBendtrans-55-46178.1-81.2-10.8000113.7D467D467-D469 VanDerWaalsContact C-N 3.29Å; D467-D469 PolarHBondContact O-N 3.02Å
470E87.1Confident92.7Very high193 Ų19372.8 Ų72.890%0.90238%0.379SS*.SBendtrans-78.4-42.7178.5-63.8-164.8163.500111.9G468G468-E470 PolarHBondContact O-N 3.28Å
471V90.1Very high93Very high111 Ų11177.8 Ų77.867%0.67341%0.405SS*.SBendtrans-141114-175.9-177.90000109.1G468 L473G468-V471 WeakPolarHBondContact CA-O 3.2Å; G468-V471 CarbonylContact O-C 3.58Å; G468-V471 PolarHBondContact O-N 2.92Å; V471-L473 PolarHBondContact O-N 2.85Å; V471-L473 VanDerWaalsContact O-N 3.17Å
472R94.7Very high93.3Very high94 Ų9473.5 Ų73.536%0.35538%0.381SS..  trans-51.3124.6179.5-176.156.259.585.3-3.4111.4G468 S474 T479 A480 I481 R482 D483G468-R472 PolarHBondContact O-N 3.2Å; R472-S474 PolarHBondContact O-N 2.86Å; R472-T479 HydrophobicContact CB-CG2 3.99Å; R472-T479 HydrophobicContact CG-CG2 3.48Å; R472-T479 VanDerWaalsContact CG-CG2 3.48Å; R472-A480 WeakPolarHBondContact CD-O 3.45Å; R472-A480 HydrophobicContact CG-CB 4.32Å; R472-A480 WeakPolarHBondContact CG-O 3.25Å; R472-A480 PolarHBondContact NH1-O 3.26Å; R472-I481 PolarHBondContact NH1-O 3.41Å; R472-R482 VanDerWaalsContact NH1-CA 3.35Å; R472-D483 VanDerWaalsContact CZ-N 3.29Å; R472-D483 IonicContact CZ-OD2 2.96Å; R472-D483 IonicContact NE-OD2 3.19Å; R472-D483 PolarHBondContact NE-OD2 2.87Å; R472-D483 IonicContact NH2-OD2 2.86Å; R472-D483 PolarHBondContact NH2-OD2 3.1Å
473L96.2Very high93.5Very high9 Ų971.7 Ų71.75%0.04737%0.374CS..  trans-54.3137.5-175.5-169.367.5000112.4K437 I440 V441 E465 L466 V471 A480K437-L473 HydrophobicContact CD-CD1 4.24Å; K437-L473 HydrophobicContact CG-CD1 4.07Å; I440-L473 HydrophobicContact CB-CD2 3.73Å; I440-L473 HydrophobicContact CD1-CD2 4.06Å; I440-L473 HydrophobicContact CG2-CD2 3.47Å; I440-L473 VanDerWaalsContact CG2-CD2 3.47Å; V441-L473 HydrophobicContact CG2-CD2 4.41Å; V441-L473 HydrophobicContact CG2-CG 4.32Å; E465-L473 WeakPolarHBondContact O-CD1 3.28Å; L466-L473 HydrophobicContact CD2-CD1 4.14Å; L466-L473 HydrophobicContact CD2-CD2 4.13Å; V471-L473 PolarHBondContact O-N 2.85Å; V471-L473 VanDerWaalsContact O-N 3.17Å; L473-A480 HydrophobicContact CB-CB 4.39Å; L473-A480 WeakPolarHBondContact O-CB 3.41Å; L473-A480 PolarHBondContact O-N 3.45Å
474S96.1Very high93.7Very high66 Ų6671.7 Ų71.746%0.46237%0.374SS..EExtended strand (participates in β ladder)trans-136.8151.4176.369.40000112.6R472 K478R472-S474 PolarHBondContact O-N 2.86Å; S474-K478 CarbonylContact C-O 3.15Å; S474-K478 WeakPolarHBondContact CA-O 3.49Å; S474-K478 WeakPolarHBondContact CB-O 3.24Å
475S96.6Very high94.1Very high17 Ų1766 Ų6612%0.11935%0.347CS..EExtended strand (participates in β ladder)trans-149.1130.3176.8-173.70000110G477 K478S475-G477 VanDerWaalsContact C-N 3.25Å; S475-G477 PolarHBondContact O-N 2.9Å; S475-K478 PolarHBondContact N-O 2.88Å; S475-K478 PolarHBondContact O-N 3.18Å
476R93.9Very high94.2Very high218 Ų21862.2 Ų62.282%0.82333%0.33SS*.THydrogen-bonded Turntrans51.641.2176.7-55.4179.2-177.1-176.80.6113.6K478R476-K478 VanDerWaalsContact C-N 3.27Å; R476-K478 PolarHBondContact O-N 2.86Å
477G93.7Very high94.3Very high84 Ų8462.8 Ų62.887%0.86633%0.332SS*.THydrogen-bonded Turntrans76.85.9178.900000115.2S475S475-G477 VanDerWaalsContact C-N 3.25Å; S475-G477 PolarHBondContact O-N 2.9Å
478K96.1Very high94.3Very high134 Ų13462.1 Ų62.158%0.58333%0.329SS*.EExtended strand (participates in β ladder)trans-106.5133.7170.6-64-176.1179-1760109.7V441 S474 S475 R476V441-K478 HydrophobicContact CG1-CB 3.91Å; S474-K478 CarbonylContact C-O 3.15Å; S474-K478 WeakPolarHBondContact CA-O 3.49Å; S474-K478 WeakPolarHBondContact CB-O 3.24Å; S475-K478 PolarHBondContact N-O 2.88Å; S475-K478 PolarHBondContact O-N 3.18Å; R476-K478 VanDerWaalsContact C-N 3.27Å; R476-K478 PolarHBondContact O-N 2.86Å
479T96.9Very high94.6Very high85 Ų8563 Ų6352%0.52133%0.333SS..EExtended strand (participates in β ladder)trans-98.3141.3174.5-56.30000109.4R472 I481R472-T479 HydrophobicContact CB-CG2 3.99Å; R472-T479 HydrophobicContact CG-CG2 3.48Å; R472-T479 VanDerWaalsContact CG-CG2 3.48Å; T479-I481 PolarHBondContact O-N 3.29Å
480A97Very high94.8Very high6 Ų658.4 Ų58.45%0.0531%0.309CS..  trans-59.4131.7175.200000110.5V441 S444 R472 L473V441-A480 HydrophobicContact CG2-CB 4.22Å; S444-A480 WeakPolarHBondContact OG-CA 3.48Å; R472-A480 WeakPolarHBondContact CD-O 3.45Å; R472-A480 HydrophobicContact CG-CB 4.32Å; R472-A480 WeakPolarHBondContact CG-O 3.25Å; R472-A480 PolarHBondContact NH1-O 3.26Å; L473-A480 HydrophobicContact CB-CB 4.39Å; L473-A480 WeakPolarHBondContact O-CB 3.41Å; L473-A480 PolarHBondContact O-N 3.45Å
481I95.5Very high94.9Very high109 Ų10954.9 Ų54.956%0.55929%0.287SS*.SBendtrans-70.5-40.8-173.4-57.5-176.9000110.7S444 R472 T479 M524S444-I481 PolarHBondContact OG-N 2.74Å; R472-I481 PolarHBondContact NH1-O 3.41Å; T479-I481 PolarHBondContact O-N 3.29Å; I481-M524 HydrophobicContact CG2-SD 3.58Å; I481-M524 VanDerWaalsContact CG2-SD 3.58Å
482R95.9Very high94.7Very high8 Ų854.8 Ų54.83%0.0328%0.283CS..SBendtrans-122.3161.5175.1-62.7-175.9-55.7106.18.4110S444 L446 L448 R472 I484 Q517 M524S444-R482 PolarHBondContact O-NE 2.65Å; S444-R482 PolarHBondContact O-NH2 3.3Å; L446-R482 PolarHBondContact O-NH2 3.3Å; L448-R482 PolarHBondContact O-NH2 3.08Å; R472-R482 VanDerWaalsContact NH1-CA 3.35Å; R482-I484 HydrophobicContact CB-CG2 4.1Å; R482-I484 VanDerWaalsContact NH2-CG2 3.27Å; R482-Q517 PolarHBondContact NH1-O 3.06Å; R482-M524 HydrophobicContact CG-CE 4.4Å; R482-M524 HydrophobicContact CG-SD 3.95Å
483D95Very high94.1Very high32 Ų3252.1 Ų52.117%0.17127%0.274CS..  trans-77.5131.3160-117.3-43.3000109.7R472R472-D483 VanDerWaalsContact CZ-N 3.29Å; R472-D483 IonicContact CZ-OD2 2.96Å; R472-D483 IonicContact NE-OD2 3.19Å; R472-D483 PolarHBondContact NE-OD2 2.87Å; R472-D483 IonicContact NH2-OD2 2.86Å; R472-D483 PolarHBondContact NH2-OD2 3.1Å
484I97.3Very high92.8Very high2 Ų255.5 Ų55.51%0.0129%0.289CS..  trans-140.9-2-176.667.5158.6000112.7I440 A443 L448 S449 I450 R482I440-I484 HydrophobicContact CG2-CD1 4.08Å; I440-I484 HydrophobicContact CG2-CG1 4.03Å; A443-I484 HydrophobicContact CB-CD1 4.18Å; L448-I484 WeakPolarHBondContact O-CG2 3.39Å; S449-I484 CarbonylContact C-O 3.49Å; S449-I484 WeakPolarHBondContact CA-O 3.46Å; I450-I484 HydrophobicContact CD1-CD1 3.95Å; I450-I484 HydrophobicContact CG1-CD1 4.39Å; I450-I484 PolarHBondContact N-O 2.87Å; R482-I484 HydrophobicContact CB-CG2 4.1Å; R482-I484 VanDerWaalsContact NH2-CG2 3.27Å
485V97.5Very high91.4Very high1 Ų156.7 Ų56.71%0.00629%0.288CS..EExtended strand (participates in β ladder)trans-107.2136.4-179-177.90000107.3I440 I450 I452 L466I440-V485 HydrophobicContact CD1-CG2 4.05Å; I440-V485 HydrophobicContact CG1-CG2 4.34Å; I440-V485 HydrophobicContact CG2-CG2 3.67Å; I450-V485 HydrophobicContact CB-CG2 4.41Å; I450-V485 CarbonylContact O-C 3.57Å; I450-V485 VanDerWaalsContact O-CA 3.24Å; I450-V485 WeakPolarHBondContact O-CA 3.49Å; I452-V485 HydrophobicContact CD1-CG1 4.01Å; I452-V485 HydrophobicContact CG1-CG1 4.44Å; L466-V485 HydrophobicContact CB-CG1 4.29Å; L466-V485 WeakPolarHBondContact O-CB 3.06Å
486Q95.7Very high89.5Confident17 Ų1763 Ų638%0.07932%0.319CS..EExtended strand (participates in β ladder)trans-123.8119.6164.4174.974.580.900107.7I450 I451 I452 D467 V488 S512 E513I450-Q486 PolarHBondContact O-N 3.36Å; I451-Q486 CarbonylContact C-O 3.58Å; I451-Q486 WeakPolarHBondContact CA-O 3.41Å; I452-Q486 PolarHBondContact N-O 2.75Å; D467-Q486 WeakPolarHBondContact OD1-CA 3.3Å; Q486-V488 HydrophobicContact CG-CG2 3.97Å; Q486-S512 PolarHBondContact OE1-OG 2.94Å; Q486-E513 PolarHBondContact OE1-OE1 2.82Å; Q486-E513 VanDerWaalsContact OE1-OE1 3.1Å
487F95.1Very high88.1Confident12 Ų1260.4 Ų60.45%0.05332%0.322CS..EExtended strand (participates in β ladder)trans-99.7133.5172.4172.2-112.7000112.4I452 F460 M463 E464 D467 P489I452-F487 HydrophobicContact CB-CD2 4.12Å; I452-F487 HydrophobicContact CG2-CD2 4.03Å; I452-F487 WeakPolarHBondContact O-CA 3.13Å; I452-F487 WeakPolarHBondContact O-CD2 3.43Å; F460-F487 HydrophobicContact CB-CE1 3.66Å; F460-F487 HydrophobicContact CB-CE2 4.15Å; F460-F487 HydrophobicContact CB-CZ 3.29Å; F460-F487 HydrophobicContact CD1-CE2 4.09Å; F460-F487 AromaticContact CD1-CZ 3.9Å; F460-F487 HydrophobicContact CD1-CZ 3.9Å; F460-F487 AromaticContact CD2-CZ 3.79Å; F460-F487 HydrophobicContact CD2-CZ 3.79Å; F460-F487 HydrophobicContact CG-CE1 4.24Å; F460-F487 HydrophobicContact CG-CE2 4.07Å; F460-F487 AromaticContact CG-CZ 3.4Å; F460-F487 HydrophobicContact CG-CZ 3.4Å; M463-F487 HydrophobicContact CB-CB 4.27Å; M463-F487 HydrophobicContact CB-CD1 3.84Å; M463-F487 HydrophobicContact CB-CD2 3.41Å; M463-F487 VanDerWaalsContact CB-CD2 3.41Å; M463-F487 HydrophobicContact CB-CE1 4.05Å; M463-F487 HydrophobicContact CB-CE2 3.65Å; M463-F487 HydrophobicContact CB-CG 3.53Å; M463-F487 HydrophobicContact CB-CZ 3.99Å; M463-F487 HydrophobicContact CG-CD2 3.95Å; M463-F487 HydrophobicContact CG-CE2 3.84Å; M463-F487 HydrophobicContact CG-CZ 4.34Å; E464-F487 HydrophobicContact CG-CD1 4.21Å; E464-F487 HydrophobicContact CG-CE1 4.35Å; D467-F487 HydrophobicContact CB-CB 4.29Å; D467-F487 PolarHBondContact OD1-N 3Å; F487-P489 HydrophobicContact CE1-CB 4.32Å; F487-P489 HydrophobicContact CE1-CG 4.22Å; F487-P489 HydrophobicContact CZ-CB 3.92Å; F487-P489 HydrophobicContact CZ-CG 4.31Å
488V93.8Very high87.2Confident4 Ų458.8 Ų58.82%0.02429%0.293CS..EExtended strand (participates in β ladder)trans-137.8116.1177.3-174.70000111.8I452 V453 G454 Q486 F490 F493 L506 A509 V510I452-V488 PolarHBondContact O-N 3Å; V453-V488 CarbonylContact C-O 3.58Å; V453-V488 VanDerWaalsContact CA-O 3.31Å; V453-V488 WeakPolarHBondContact CA-O 3.19Å; G454-V488 PolarHBondContact N-O 3.4Å; Q486-V488 HydrophobicContact CG-CG2 3.97Å; V488-F490 PolarHBondContact O-N 2.8Å; V488-F493 HydrophobicContact CG1-CD2 3.99Å; V488-F493 HydrophobicContact CG1-CE2 3.24Å; V488-F493 HydrophobicContact CG1-CZ 3.97Å; V488-L506 HydrophobicContact CG1-CD1 4.13Å; V488-A509 HydrophobicContact CG1-CB 3.93Å; V488-A509 HydrophobicContact CG2-CB 4.2Å; V488-A509 WeakPolarHBondContact CG2-O 3.49Å; V488-V510 HydrophobicContact CB-CG2 3.82Å; V488-V510 HydrophobicContact CG1-CG2 3.93Å; V488-V510 HydrophobicContact CG2-CB 4.43Å; V488-V510 HydrophobicContact CG2-CG2 3.83Å
489P94.2Very high86.1Confident21 Ų2156 Ų5614%0.13629%0.287CS..EExtended strand (participates in β ladder)trans-77.3115.4172.729.8-33.4000111.1F460 F487 R491 N492F460-P489 HydrophobicContact CD2-CB 4.16Å; F460-P489 HydrophobicContact CE2-CB 4.29Å; F487-P489 HydrophobicContact CE1-CB 4.32Å; F487-P489 HydrophobicContact CE1-CG 4.22Å; F487-P489 HydrophobicContact CZ-CB 3.92Å; F487-P489 HydrophobicContact CZ-CG 4.31Å; P489-R491 HydrophobicContact CB-CG 4.32Å; P489-R491 PolarHBondContact O-N 3.16Å; P489-R491 VanDerWaalsContact O-N 3.12Å; P489-N492 HydrophobicContact CG-CB 4.49Å; P489-N492 VanDerWaalsContact CG-ND2 3.34Å; P489-N492 WeakPolarHBondContact CG-ND2 3.33Å; P489-N492 WeakPolarHBondContact O-CB 3.32Å; P489-N492 PolarHBondContact O-N 3.44Å; P489-N492 VanDerWaalsContact O-N 3.1Å
490F91.9Very high85.1Confident4 Ų456.3 Ų56.32%0.01828%0.283CS..G310 helixtrans-54.7-35.6-178.3-174.3-87.8000113.1Q323 V326 A327 V453 G454 V488 N492 F493 H494 L506Q323-F490 HydrophobicContact CB-CD1 4.07Å; Q323-F490 HydrophobicContact CB-CE1 3.79Å; Q323-F490 HydrophobicContact CB-CZ 4.14Å; Q323-F490 HydrophobicContact CG-CD1 4.08Å; Q323-F490 HydrophobicContact CG-CE1 3.67Å; Q323-F490 HydrophobicContact CG-CZ 4.37Å; V326-F490 HydrophobicContact CB-CE2 4.28Å; V326-F490 HydrophobicContact CB-CZ 4.03Å; V326-F490 HydrophobicContact CG1-CE2 4.07Å; V326-F490 HydrophobicContact CG1-CZ 3.87Å; A327-F490 HydrophobicContact CB-CD2 3.95Å; A327-F490 HydrophobicContact CB-CE2 3.92Å; V453-F490 HydrophobicContact CG1-CB 4.01Å; V453-F490 HydrophobicContact CG1-CD2 4.24Å; G454-F490 VanDerWaalsContact O-CB 3.27Å; G454-F490 WeakPolarHBondContact O-CB 3.45Å; G454-F490 PolarHBondContact O-N 3.3Å; V488-F490 PolarHBondContact O-N 2.8Å; F490-N492 PolarHBondContact O-N 2.78Å; F490-N492 VanDerWaalsContact O-N 3.08Å; F490-F493 PolarHBondContact O-N 2.97Å; F490-H494 HydrophobicContact CD1-CB 4.12Å; F490-H494 HydrophobicContact CE1-CB 3.81Å; F490-H494 AromaticContact CE1-CG 3.87Å; F490-H494 AromaticContact CE1-ND1 3.65Å; F490-H494 PolarHBondContact O-N 2.94Å; F490-L506 HydrophobicContact CD2-CD1 3.96Å; F490-L506 HydrophobicContact CD2-CD2 3.61Å; F490-L506 HydrophobicContact CD2-CG 4.43Å; F490-L506 HydrophobicContact CE2-CD2 3.53Å
491R89Confident84.2Confident118 Ų11856.9 Ų56.945%0.44529%0.285SS..G310 helixtrans-58.1-22.5-179.466.8-177.3177.6-153.1-2.3114.1P457 A458 P489 F493P457-R491 PolarHBondContact O-NH1 3.49Å; A458-R491 PolarHBondContact O-NH1 2.98Å; P489-R491 HydrophobicContact CB-CG 4.32Å; P489-R491 PolarHBondContact O-N 3.16Å; P489-R491 VanDerWaalsContact O-N 3.12Å; R491-F493 PolarHBondContact O-N 3.16Å
492N86.5Confident83.5Confident109 Ų10952 Ų5258%0.58326%0.26SS*.G310 helixtrans-72.8-19.4178.2-69.56.6000112.7P489 F490P489-N492 HydrophobicContact CG-CB 4.49Å; P489-N492 VanDerWaalsContact CG-ND2 3.34Å; P489-N492 WeakPolarHBondContact CG-ND2 3.33Å; P489-N492 WeakPolarHBondContact O-CB 3.32Å; P489-N492 PolarHBondContact O-N 3.44Å; P489-N492 VanDerWaalsContact O-N 3.1Å; F490-N492 PolarHBondContact O-N 2.78Å; F490-N492 VanDerWaalsContact O-N 3.08Å
493F82.1Confident82.9Confident39 Ų3952.4 Ų52.417%0.17126%0.262CS..THydrogen-bonded Turntrans-113.9-13.4-173.1-52.7-73.5000113V488 F490 R491 Q495 S502 R505 L506 A509V488-F493 HydrophobicContact CG1-CD2 3.99Å; V488-F493 HydrophobicContact CG1-CE2 3.24Å; V488-F493 HydrophobicContact CG1-CZ 3.97Å; F490-F493 PolarHBondContact O-N 2.97Å; R491-F493 PolarHBondContact O-N 3.16Å; F493-Q495 PolarHBondContact O-N 3.43Å; F493-Q495 VanDerWaalsContact O-N 3.1Å; F493-S502 WeakPolarHBondContact O-CA 3.36Å; F493-S502 VanDerWaalsContact O-CB 3.24Å; F493-S502 WeakPolarHBondContact O-CB 3.28Å; F493-S502 PolarHBondContact O-OG 2.8Å; F493-R505 HydrophobicContact CB-CB 4.38Å; F493-R505 HydrophobicContact CD1-CB 3.49Å; F493-R505 VanDerWaalsContact CD1-CB 3.49Å; F493-R505 HydrophobicContact CE1-CB 4.21Å; F493-R505 HydrophobicContact CG-CB 4.31Å; F493-L506 HydrophobicContact CB-CB 4.16Å; F493-L506 HydrophobicContact CD2-CD1 3.94Å; F493-L506 HydrophobicContact CG-CB 4.34Å; F493-A509 HydrophobicContact CE1-CB 3.95Å; F493-A509 HydrophobicContact CE2-CB 4.11Å; F493-A509 HydrophobicContact CZ-CB 3.43Å; F493-A509 VanDerWaalsContact CZ-CB 3.43Å
494H69.6Low82.2Confident80 Ų8054.1 Ų54.137%0.3727%0.266SS..  trans-74102.7-178-167.960.7000111.8F490F490-H494 HydrophobicContact CD1-CB 4.12Å; F490-H494 HydrophobicContact CE1-CB 3.81Å; F490-H494 AromaticContact CE1-CG 3.87Å; F490-H494 AromaticContact CE1-ND1 3.65Å; F490-H494 PolarHBondContact O-N 2.94Å
495Q66.6Low81.7Confident90 Ų9058.7 Ų58.742%0.42128%0.283SS..  trans-109.3118.3167.6-64.7-175800109.9F493 N497 N498 S502F493-Q495 PolarHBondContact O-N 3.43Å; F493-Q495 VanDerWaalsContact O-N 3.1Å; Q495-N497 PolarHBondContact O-N 3.44Å; Q495-N498 PolarHBondContact O-N 2.94Å; Q495-S502 PolarHBondContact N-OG 3.45Å; Q495-S502 PolarHBondContact O-OG 2.91Å
496L56.2Low81.3Confident149 Ų14958.7 Ų58.778%0.7828%0.283SS*.THydrogen-bonded Turntrans-54.4-27.7-176.3-70.9167.9000114.2
497N65.3Low81Confident165 Ų16558.1 Ų58.188%0.88228%0.28SS*.THydrogen-bonded Turntrans-94.5-10.1-171.4-62-13.8000114.2Q495Q495-N497 PolarHBondContact O-N 3.44Å
498N74.4Confident80.8Confident49 Ų4960.4 Ų60.426%0.26229%0.291SS..  trans-147.487.1-179.1-165.1-19.3000111.4Q495 Q500 E501 S502Q495-N498 PolarHBondContact O-N 2.94Å; N498-Q500 PolarHBondContact O-N 2.85Å; N498-Q500 PolarHBondContact OD1-N 3.08Å; N498-E501 HydrophobicContact CB-CB 3.98Å; N498-E501 PolarHBondContact O-N 2.87Å; N498-E501 PolarHBondContact OD1-N 2.98Å; N498-S502 PolarHBondContact O-N 2.85Å; N498-S502 PolarHBondContact O-OG 3.31Å
499V72.9Confident80.6Confident75 Ų7561.4 Ų61.446%0.45530%0.299SS..Hα-helixtrans-58.9-37178.7177.90000111.3S502 K503V499-S502 WeakPolarHBondContact O-CB 3.12Å; V499-S502 PolarHBondContact O-N 3.3Å; V499-K503 WeakPolarHBondContact O-CG 3.35Å; V499-K503 PolarHBondContact O-N 3.48Å
500Q76.7Confident80.6Confident92 Ų9260.4 Ų60.443%0.4329%0.293SS..Hα-helixtrans-70.6-40.9-179.2-62.9-63.5-1800111.8F40 N498 S502 K503 R504F40-Q500 HydrophobicContact CE2-CB 3.89Å; N498-Q500 PolarHBondContact O-N 2.85Å; N498-Q500 PolarHBondContact OD1-N 3.08Å; Q500-S502 VanDerWaalsContact C-N 3.27Å; Q500-S502 PolarHBondContact O-N 3.48Å; Q500-K503 PolarHBondContact O-N 2.85Å; Q500-R504 PolarHBondContact O-N 3.04Å
501E77.4Confident80.6Confident19 Ų1960.2 Ų60.29%0.08929%0.292CS..Hα-helixtrans-62.6-40.5172.2-175.556.8162.300110.9F40 N498 K503 R504 R505F40-E501 HydrophobicContact CE1-CB 3.98Å; F40-E501 VanDerWaalsContact CE1-CD 3.44Å; F40-E501 HydrophobicContact CE1-CG 4.16Å; F40-E501 WeakPolarHBondContact CE1-OE2 3.26Å; F40-E501 HydrophobicContact CE2-CB 4.47Å; F40-E501 HydrophobicContact CZ-CB 3.45Å; F40-E501 VanDerWaalsContact CZ-CB 3.45Å; F40-E501 HydrophobicContact CZ-CG 4.13Å; F40-E501 WeakPolarHBondContact CZ-OE2 3.32Å; N498-E501 HydrophobicContact CB-CB 3.98Å; N498-E501 PolarHBondContact O-N 2.87Å; N498-E501 PolarHBondContact OD1-N 2.98Å; E501-K503 VanDerWaalsContact C-N 3.31Å; E501-K503 PolarHBondContact O-N 3.35Å; E501-R504 PolarHBondContact O-N 3.2Å; E501-R504 IonicContact OE1-NH2 2.84Å; E501-R504 PolarHBondContact OE1-NH2 2.9Å; E501-R504 IonicContact OE2-CZ 3.82Å; E501-R504 IonicContact OE2-NE 3.92Å; E501-R504 PolarHBondContact OE2-NE 2.79Å; E501-R504 IonicContact OE2-NH2 2.91Å; E501-R504 PolarHBondContact OE2-NH2 3.3Å; E501-R505 VanDerWaalsContact CD-NE 3.3Å; E501-R505 HydrophobicContact CG-CG 4.19Å; E501-R505 WeakPolarHBondContact O-CG 3.28Å; E501-R505 PolarHBondContact O-N 3.42Å; E501-R505 IonicContact OE1-CZ 3.48Å; E501-R505 IonicContact OE1-NE 2.7Å; E501-R505 PolarHBondContact OE1-NE 3.02Å; E501-R505 IonicContact OE1-NH2 3.13Å; E501-R505 PolarHBondContact OE1-NH2 3.21Å
502S79.4Confident80.7Confident5 Ų557.4 Ų57.44%0.03529%0.29CS..Hα-helixtrans-61.2-42.9179.4-55.20000110.7F493 Q495 N498 V499 Q500 L506F493-S502 WeakPolarHBondContact O-CA 3.36Å; F493-S502 VanDerWaalsContact O-CB 3.24Å; F493-S502 WeakPolarHBondContact O-CB 3.28Å; F493-S502 PolarHBondContact O-OG 2.8Å; Q495-S502 PolarHBondContact N-OG 3.45Å; Q495-S502 PolarHBondContact O-OG 2.91Å; N498-S502 PolarHBondContact O-N 2.85Å; N498-S502 PolarHBondContact O-OG 3.31Å; V499-S502 WeakPolarHBondContact O-CB 3.12Å; V499-S502 PolarHBondContact O-N 3.3Å; Q500-S502 VanDerWaalsContact C-N 3.27Å; Q500-S502 PolarHBondContact O-N 3.48Å; S502-L506 WeakPolarHBondContact O-CB 3.34Å; S502-L506 PolarHBondContact O-N 2.64Å
503K83.4Confident81Confident17 Ų1754.2 Ų54.27%0.07427%0.272CS..Hα-helixtrans-60.1-51.3173.8-74.9-168.6168.1-168.60111.5V326 A330 E333 V499 Q500 E501 R505 L506 T507V326-K503 HydrophobicContact CG1-CG 4.14Å; A330-K503 HydrophobicContact CB-CB 3.99Å; A330-K503 HydrophobicContact CB-CD 4.15Å; A330-K503 HydrophobicContact CB-CG 3.84Å; E333-K503 IonicContact OE1-NZ 2.95Å; E333-K503 IonicContact OE2-NZ 2.97Å; E333-K503 PolarHBondContact OE2-NZ 3.08Å; V499-K503 WeakPolarHBondContact O-CG 3.35Å; V499-K503 PolarHBondContact O-N 3.48Å; Q500-K503 PolarHBondContact O-N 2.85Å; E501-K503 VanDerWaalsContact C-N 3.31Å; E501-K503 PolarHBondContact O-N 3.35Å; K503-R505 PolarHBondContact O-N 3.04Å; K503-L506 WeakPolarHBondContact O-CB 3.2Å; K503-L506 PolarHBondContact O-N 2.91Å; K503-T507 WeakPolarHBondContact O-CG2 3.08Å; K503-T507 PolarHBondContact O-N 3.42Å; K503-T507 PolarHBondContact O-OG1 3.46Å
504R82Confident81.7Confident68 Ų6852.4 Ų52.426%0.25726%0.264SS..Hα-helixtrans-62.1-45.6-176.6-168.9-165.868.885.61.3112.6E74 Q500 E501 L506 T507 K508E74-R504 HydrophobicContact CG-CG 4.35Å; E74-R504 IonicContact OE1-CZ 2.72Å; E74-R504 IonicContact OE1-NH1 3.63Å; E74-R504 PolarHBondContact OE1-NH1 2.76Å; Q500-R504 PolarHBondContact O-N 3.04Å; E501-R504 PolarHBondContact O-N 3.2Å; E501-R504 IonicContact OE1-NH2 2.84Å; E501-R504 PolarHBondContact OE1-NH2 2.9Å; E501-R504 IonicContact OE2-CZ 3.82Å; E501-R504 IonicContact OE2-NE 3.92Å; E501-R504 PolarHBondContact OE2-NE 2.79Å; E501-R504 IonicContact OE2-NH2 2.91Å; E501-R504 PolarHBondContact OE2-NH2 3.3Å; R504-L506 VanDerWaalsContact C-N 3.33Å; R504-T507 PolarHBondContact O-N 3.42Å; R504-T507 PolarHBondContact O-OG1 2.94Å; R504-K508 VanDerWaalsContact O-CB 3.26Å; R504-K508 WeakPolarHBondContact O-CB 3.43Å; R504-K508 PolarHBondContact O-N 2.85Å
505R85.8Confident82.8Confident99 Ų9949.8 Ų49.837%0.37425%0.254SS..Hα-helixtrans-67.6-37.1178.3-62-177.1-178.1-166.41.8112F493 E501 K503 A509F493-R505 HydrophobicContact CB-CB 4.38Å; F493-R505 HydrophobicContact CD1-CB 3.49Å; F493-R505 VanDerWaalsContact CD1-CB 3.49Å; F493-R505 HydrophobicContact CE1-CB 4.21Å; F493-R505 HydrophobicContact CG-CB 4.31Å; E501-R505 VanDerWaalsContact CD-NE 3.3Å; E501-R505 HydrophobicContact CG-CG 4.19Å; E501-R505 WeakPolarHBondContact O-CG 3.28Å; E501-R505 PolarHBondContact O-N 3.42Å; E501-R505 IonicContact OE1-CZ 3.48Å; E501-R505 IonicContact OE1-NE 2.7Å; E501-R505 PolarHBondContact OE1-NE 3.02Å; E501-R505 IonicContact OE1-NH2 3.13Å; E501-R505 PolarHBondContact OE1-NH2 3.21Å; K503-R505 PolarHBondContact O-N 3.04Å; R505-A509 PolarHBondContact O-N 3.46Å
506L89.2Confident84Confident0 Ų049.5 Ų49.50%026%0.255CS..Hα-helixtrans-61.2-52.8174.2177.469.9000110.2A327 A330 V453 V488 F490 F493 S502 K503 R504 K508 A509 V510A327-L506 HydrophobicContact CB-CD2 4.07Å; A330-L506 HydrophobicContact CB-CD2 4.38Å; V453-L506 HydrophobicContact CG1-CD1 4.32Å; V488-L506 HydrophobicContact CG1-CD1 4.13Å; F490-L506 HydrophobicContact CD2-CD1 3.96Å; F490-L506 HydrophobicContact CD2-CD2 3.61Å; F490-L506 HydrophobicContact CD2-CG 4.43Å; F490-L506 HydrophobicContact CE2-CD2 3.53Å; F493-L506 HydrophobicContact CB-CB 4.16Å; F493-L506 HydrophobicContact CD2-CD1 3.94Å; F493-L506 HydrophobicContact CG-CB 4.34Å; S502-L506 WeakPolarHBondContact O-CB 3.34Å; S502-L506 PolarHBondContact O-N 2.64Å; K503-L506 WeakPolarHBondContact O-CB 3.2Å; K503-L506 PolarHBondContact O-N 2.91Å; R504-L506 VanDerWaalsContact C-N 3.33Å; L506-K508 VanDerWaalsContact C-N 3.28Å; L506-K508 PolarHBondContact O-N 2.98Å; L506-A509 PolarHBondContact O-N 2.83Å; L506-V510 HydrophobicContact CD1-CG2 3.75Å; L506-V510 HydrophobicContact CG-CG2 3.99Å; L506-V510 VanDerWaalsContact O-CB 3.27Å; L506-V510 WeakPolarHBondContact O-CB 3.35Å; L506-V510 WeakPolarHBondContact O-CG2 3.5Å; L506-V510 PolarHBondContact O-N 2.84Å
507T90.4Very high85.9Confident5 Ų542.8 Ų42.83%0.03122%0.22CC..Hα-helixtrans-62.9-38.5-178.557.50000111.7E73 A330 I334 K503 R504 A509 V510 L511E73-T507 WeakPolarHBondContact O-CB 3.5Å; E73-T507 PolarHBondContact O-OG1 3.22Å; A330-T507 HydrophobicContact CB-CG2 3.72Å; A330-T507 VanDerWaalsContact O-CG2 3.25Å; A330-T507 WeakPolarHBondContact O-CG2 3.39Å; I334-T507 HydrophobicContact CD1-CG2 3.39Å; I334-T507 WeakPolarHBondContact CD1-OG1 3.46Å; K503-T507 WeakPolarHBondContact O-CG2 3.08Å; K503-T507 PolarHBondContact O-N 3.42Å; K503-T507 PolarHBondContact O-OG1 3.46Å; R504-T507 PolarHBondContact O-N 3.42Å; R504-T507 PolarHBondContact O-OG1 2.94Å; T507-A509 VanDerWaalsContact C-N 3.3Å; T507-A509 PolarHBondContact O-N 2.84Å; T507-V510 PolarHBondContact O-N 3.12Å; T507-L511 VanDerWaalsContact O-CB 3.3Å; T507-L511 WeakPolarHBondContact O-CB 3.29Å; T507-L511 PolarHBondContact O-N 2.77Å
508K89.7Confident87.3Confident61 Ų6134.9 Ų34.927%0.26518%0.178SC..Hα-helixtrans-55.2-44.3174.7179.1159.3-170168.60113.3E73 R504 L506 S512E73-K508 HydrophobicContact CG-CB 3.96Å; E73-K508 HydrophobicContact CG-CG 3.87Å; R504-K508 VanDerWaalsContact O-CB 3.26Å; R504-K508 WeakPolarHBondContact O-CB 3.43Å; R504-K508 PolarHBondContact O-N 2.85Å; L506-K508 VanDerWaalsContact C-N 3.28Å; L506-K508 PolarHBondContact O-N 2.98Å; K508-S512 WeakPolarHBondContact O-CB 3.37Å; K508-S512 PolarHBondContact O-N 3.23Å
509A90.7Very high88.2Confident25 Ų2533.7 Ų33.721%0.20717%0.172CC..Hα-helixtrans-78.9-33178.200000113.1V488 F493 R505 L506 T507 S512V488-A509 HydrophobicContact CG1-CB 3.93Å; V488-A509 HydrophobicContact CG2-CB 4.2Å; V488-A509 WeakPolarHBondContact CG2-O 3.49Å; F493-A509 HydrophobicContact CE1-CB 3.95Å; F493-A509 HydrophobicContact CE2-CB 4.11Å; F493-A509 HydrophobicContact CZ-CB 3.43Å; F493-A509 VanDerWaalsContact CZ-CB 3.43Å; R505-A509 PolarHBondContact O-N 3.46Å; L506-A509 PolarHBondContact O-N 2.83Å; T507-A509 VanDerWaalsContact C-N 3.3Å; T507-A509 PolarHBondContact O-N 2.84Å; A509-S512 PolarHBondContact O-OG 3.38Å
510V92.7Very high89.2Confident0 Ų032.7 Ų32.70%017%0.168CC..Hα-helixtrans-75.3-34.5-1761630000112V331 I451 V453 V488 L506 T507V331-V510 HydrophobicContact CG1-CG1 4.24Å; V331-V510 HydrophobicContact CG2-CG1 3.64Å; I451-V510 HydrophobicContact CD1-CG1 4.06Å; I451-V510 HydrophobicContact CG2-CB 4.3Å; I451-V510 HydrophobicContact CG2-CG1 3.49Å; I451-V510 VanDerWaalsContact CG2-CG1 3.49Å; V453-V510 HydrophobicContact CG2-CG1 4.5Å; V453-V510 HydrophobicContact CG2-CG2 3.91Å; V488-V510 HydrophobicContact CB-CG2 3.82Å; V488-V510 HydrophobicContact CG1-CG2 3.93Å; V488-V510 HydrophobicContact CG2-CB 4.43Å; V488-V510 HydrophobicContact CG2-CG2 3.83Å; L506-V510 HydrophobicContact CD1-CG2 3.75Å; L506-V510 HydrophobicContact CG-CG2 3.99Å; L506-V510 VanDerWaalsContact O-CB 3.27Å; L506-V510 WeakPolarHBondContact O-CB 3.35Å; L506-V510 WeakPolarHBondContact O-CG2 3.5Å; L506-V510 PolarHBondContact O-N 2.84Å; T507-V510 PolarHBondContact O-N 3.12Å
511L93.3Very high90.2Very high0 Ų028.3 Ų28.30%015%0.148CC..SBendtrans-105.4-1-171.6-65.2-179.2000113.6F72 E73 V331 I334 I335 I451 T507 E513 I514F72-L511 HydrophobicContact CD1-CB 4.1Å; F72-L511 HydrophobicContact CE1-CB 3.77Å; F72-L511 HydrophobicContact CE1-CD1 4.39Å; F72-L511 HydrophobicContact CE1-CD2 4.27Å; F72-L511 HydrophobicContact CE1-CG 4.37Å; E73-L511 HydrophobicContact CB-CB 3.9Å; V331-L511 HydrophobicContact CG1-CD2 4.1Å; I334-L511 HydrophobicContact CB-CD1 3.85Å; I334-L511 HydrophobicContact CD1-CD1 3.81Å; I334-L511 HydrophobicContact CG1-CD1 4.48Å; I334-L511 HydrophobicContact CG2-CD1 3.55Å; I335-L511 HydrophobicContact CD1-CD1 4.36Å; I335-L511 HydrophobicContact CD1-CD2 3.87Å; I335-L511 HydrophobicContact CG1-CD2 4.39Å; I451-L511 HydrophobicContact CD1-CD2 3.8Å; T507-L511 VanDerWaalsContact O-CB 3.3Å; T507-L511 WeakPolarHBondContact O-CB 3.29Å; T507-L511 PolarHBondContact O-N 2.77Å; L511-E513 VanDerWaalsContact C-N 3.31Å; L511-E513 PolarHBondContact O-N 2.84Å; L511-I514 HydrophobicContact CD2-CG1 4.26Å; L511-I514 PolarHBondContact O-N 2.96Å
512S90.8Very high91Very high58 Ų5827.4 Ų27.441%0.40614%0.144SC..THydrogen-bonded Turntrans-55.7-40.1-173.439.40000114.1Q486 K508 A509Q486-S512 PolarHBondContact OE1-OG 2.94Å; K508-S512 WeakPolarHBondContact O-CB 3.37Å; K508-S512 PolarHBondContact O-N 3.23Å; A509-S512 PolarHBondContact O-OG 3.38Å
513E93.1Very high91.6Very high43 Ų4332 Ų3220%0.20116%0.16CC..THydrogen-bonded Turntrans-91.6-14.6-173.6-74.6-174.4-163.600114.8Q486 L511 D516 Q517Q486-E513 PolarHBondContact OE1-OE1 2.82Å; Q486-E513 VanDerWaalsContact OE1-OE1 3.1Å; L511-E513 VanDerWaalsContact C-N 3.31Å; L511-E513 PolarHBondContact O-N 2.84Å; E513-D516 PolarHBondContact O-N 3.43Å; E513-D516 VanDerWaalsContact O-N 3.15Å; E513-Q517 HydrophobicContact CB-CG 4.14Å; E513-Q517 WeakPolarHBondContact O-CB 3.28Å; E513-Q517 VanDerWaalsContact O-CG 3.26Å; E513-Q517 WeakPolarHBondContact O-CG 3.38Å; E513-Q517 PolarHBondContact O-N 3.25Å; E513-Q517 PolarHBondContact OE2-NE2 3.38Å
514I95.3Very high92Very high1 Ų134.7 Ų34.71%0.00517%0.174CC..Hα-helixtrans-56.6-44.7-174.1-61.9-61.6000112.5F72 I421 I451 L511 D516 Q517 L518F72-I514 HydrophobicContact CE1-CB 3.73Å; F72-I514 HydrophobicContact CE1-CG1 4.35Å; F72-I514 HydrophobicContact CE1-CG2 3.89Å; F72-I514 HydrophobicContact CZ-CB 4.27Å; F72-I514 HydrophobicContact CZ-CG2 3.9Å; I421-I514 HydrophobicContact CD1-CD1 4.48Å; I421-I514 HydrophobicContact CD1-CG2 3.82Å; I421-I514 HydrophobicContact CG1-CD1 4.43Å; I421-I514 HydrophobicContact CG1-CG2 4.47Å; I421-I514 HydrophobicContact CG2-CD1 4.35Å; I451-I514 HydrophobicContact CD1-CD1 3.91Å; I451-I514 HydrophobicContact CD1-CG1 4.13Å; I451-I514 HydrophobicContact CG1-CD1 4.01Å; L511-I514 HydrophobicContact CD2-CG1 4.26Å; L511-I514 PolarHBondContact O-N 2.96Å; I514-D516 PolarHBondContact O-N 3.33Å; I514-Q517 PolarHBondContact O-N 3.28Å; I514-L518 WeakPolarHBondContact O-CB 3.38Å; I514-L518 PolarHBondContact O-N 3.16Å
515P93.3Very high92.6Very high24 Ų2436 Ų3616%0.15618%0.183CC..Hα-helixtrans-56-46.8176.7-28.237.9000113.3F72 F282 L518 V519F72-P515 HydrophobicContact CB-CG 4.01Å; F72-P515 HydrophobicContact CD1-CG 3.66Å; F72-P515 HydrophobicContact CE1-CG 4.36Å; F72-P515 HydrophobicContact CG-CG 3.89Å; F282-P515 HydrophobicContact CB-CB 3.85Å; F282-P515 HydrophobicContact CD1-CB 4.48Å; F282-P515 HydrophobicContact CD2-CB 4.02Å; F282-P515 HydrophobicContact CD2-CG 4.47Å; F282-P515 HydrophobicContact CG-CB 3.86Å; F282-P515 HydrophobicContact CG-CG 4.37Å; P515-L518 PolarHBondContact O-N 2.75Å; P515-V519 VanDerWaalsContact O-CG2 3.3Å; P515-V519 WeakPolarHBondContact O-CG2 3.49Å; P515-V519 PolarHBondContact O-N 3.01Å
516D91.9Very high92.9Very high84 Ų8434.3 Ų34.345%0.44920%0.196SC..Hα-helixtrans-73.7-38.6-177.4-76.1-20.8000112.1E513 I514 L518 V519 S520E513-D516 PolarHBondContact O-N 3.43Å; E513-D516 VanDerWaalsContact O-N 3.15Å; I514-D516 PolarHBondContact O-N 3.33Å; D516-L518 VanDerWaalsContact C-N 3.3Å; D516-L518 PolarHBondContact O-N 3.43Å; D516-V519 PolarHBondContact O-N 2.92Å; D516-S520 WeakPolarHBondContact O-CB 3.38Å; D516-S520 PolarHBondContact O-N 2.99Å
517Q95.6Very high93.1Very high8 Ų835.6 Ų35.64%0.03720%0.202CC..Hα-helixtrans-61.9-40.3175.5-69.7178-0.100111Y419 S449 R482 E513 I514 Y521Y419-Q517 PolarHBondContact OH-O 2.91Å; S449-Q517 WeakPolarHBondContact OG-CB 3.49Å; S449-Q517 PolarHBondContact OG-OE1 2.99Å; R482-Q517 PolarHBondContact NH1-O 3.06Å; E513-Q517 HydrophobicContact CB-CG 4.14Å; E513-Q517 WeakPolarHBondContact O-CB 3.28Å; E513-Q517 VanDerWaalsContact O-CG 3.26Å; E513-Q517 WeakPolarHBondContact O-CG 3.38Å; E513-Q517 PolarHBondContact O-N 3.25Å; E513-Q517 PolarHBondContact OE2-NE2 3.38Å; I514-Q517 PolarHBondContact O-N 3.28Å; Q517-Y521 PolarHBondContact O-N 3.23Å
518L96.2Very high93.2Very high0 Ų041.7 Ų41.70%023%0.228CC..Hα-helixtrans-64.9-53.6174.2-174.4157.8000111.3F282 Y285 T290 L292 Y419 I514 P515 D516 S520 Y521 M522F282-L518 HydrophobicContact CD2-CB 4.49Å; F282-L518 HydrophobicContact CD2-CD1 4.09Å; F282-L518 HydrophobicContact CD2-CD2 4.47Å; F282-L518 HydrophobicContact CE2-CD1 3.94Å; Y285-L518 HydrophobicContact CD2-CD2 3.97Å; Y285-L518 HydrophobicContact CG-CD2 4.04Å; T290-L518 HydrophobicContact CG2-CD1 4.25Å; L292-L518 HydrophobicContact CD2-CD1 3.64Å; Y419-L518 HydrophobicContact CD1-CB 4.33Å; Y419-L518 HydrophobicContact CD1-CD1 4.01Å; Y419-L518 HydrophobicContact CD1-CG 4.32Å; Y419-L518 HydrophobicContact CD2-CB 4.14Å; Y419-L518 HydrophobicContact CD2-CD1 4.11Å; Y419-L518 HydrophobicContact CD2-CG 3.75Å; Y419-L518 HydrophobicContact CE1-CB 4.19Å; Y419-L518 HydrophobicContact CE2-CB 4.01Å; Y419-L518 HydrophobicContact CE2-CG 4.12Å; Y419-L518 HydrophobicContact CG-CB 4.3Å; Y419-L518 HydrophobicContact CG-CD1 3.69Å; Y419-L518 HydrophobicContact CG-CG 3.87Å; I514-L518 WeakPolarHBondContact O-CB 3.38Å; I514-L518 PolarHBondContact O-N 3.16Å; P515-L518 PolarHBondContact O-N 2.75Å; D516-L518 VanDerWaalsContact C-N 3.3Å; D516-L518 PolarHBondContact O-N 3.43Å; L518-S520 PolarHBondContact O-N 2.97Å; L518-Y521 WeakPolarHBondContact O-CB 3.41Å; L518-Y521 PolarHBondContact O-N 3.05Å; L518-Y521 VanDerWaalsContact O-N 3.09Å; L518-M522 HydrophobicContact CD2-CE 4.03Å; L518-M522 HydrophobicContact CD2-CG 3.85Å; L518-M522 HydrophobicContact CG-CE 4.36Å; L518-M522 WeakPolarHBondContact O-CG 3.37Å; L518-M522 PolarHBondContact O-N 3.07Å
519V93.1Very high93.2Very high24 Ų2439.1 Ų39.115%0.14522%0.218CC..Hα-helixtrans-59.3-39.8179.9171.10000110.8F282 Y285 P515 D516 Y521 M522 R523F282-V519 HydrophobicContact CB-CG2 4.25Å; Y285-V519 HydrophobicContact CD2-CG2 4.16Å; Y285-V519 HydrophobicContact CE2-CG2 4.24Å; P515-V519 VanDerWaalsContact O-CG2 3.3Å; P515-V519 WeakPolarHBondContact O-CG2 3.49Å; P515-V519 PolarHBondContact O-N 3.01Å; D516-V519 PolarHBondContact O-N 2.92Å; V519-Y521 PolarHBondContact O-N 3.03Å; V519-M522 PolarHBondContact O-N 3.46Å; V519-R523 VanDerWaalsContact O-CB 3.27Å; V519-R523 WeakPolarHBondContact O-CB 3.4Å; V519-R523 PolarHBondContact O-N 3.25Å
520S93.4Very high92.8Very high53 Ų5342.1 Ų42.137%0.37123%0.23SC..Hα-helixtrans-59.8-44.6174.9177.10000112.2D516 L518 M524D516-S520 WeakPolarHBondContact O-CB 3.38Å; D516-S520 PolarHBondContact O-N 2.99Å; L518-S520 PolarHBondContact O-N 2.97Å; S520-M524 VanDerWaalsContact O-CB 3.25Å; S520-M524 WeakPolarHBondContact O-CB 3.42Å; S520-M524 PolarHBondContact O-N 3.43Å
521Y97Very high91.9Very high1 Ų147.8 Ų47.80%0.00426%0.261CS..Hα-helixtrans-60.6-51.6174.2173-97.3000111.7V414 Y419 S445 L446 P447 Q517 L518 V519 R523 M524 Q525 I527V414-Y521 WeakPolarHBondContact CA-OH 3.19Å; V414-Y521 PolarHBondContact O-OH 3.34Å; Y419-Y521 HydrophobicContact CD2-CD1 4.45Å; Y419-Y521 HydrophobicContact CE2-CD1 4.4Å; Y419-Y521 HydrophobicContact CE2-CG 4.25Å; S445-Y521 WeakPolarHBondContact O-CE2 3.35Å; L446-Y521 WeakPolarHBondContact O-CD2 3.43Å; P447-Y521 HydrophobicContact CB-CD1 3.87Å; P447-Y521 HydrophobicContact CB-CD2 4.41Å; P447-Y521 HydrophobicContact CB-CE1 3.57Å; P447-Y521 HydrophobicContact CB-CE2 4.11Å; P447-Y521 HydrophobicContact CB-CG 4.3Å; P447-Y521 HydrophobicContact CG-CE1 4.26Å; P447-Y521 HydrophobicContact CG-CE2 4.46Å; P447-Y521 VanDerWaalsContact N-CE2 3.3Å; Q517-Y521 PolarHBondContact O-N 3.23Å; L518-Y521 WeakPolarHBondContact O-CB 3.41Å; L518-Y521 PolarHBondContact O-N 3.05Å; L518-Y521 VanDerWaalsContact O-N 3.09Å; V519-Y521 PolarHBondContact O-N 3.03Å; Y521-R523 VanDerWaalsContact C-N 3.32Å; Y521-R523 PolarHBondContact O-N 3.01Å; Y521-M524 HydrophobicContact CD2-CE 3.85Å; Y521-M524 HydrophobicContact CE2-CE 4.25Å; Y521-M524 PolarHBondContact O-N 3.17Å; Y521-Q525 HydrophobicContact CD2-CG 4.26Å; Y521-Q525 HydrophobicContact CE1-CG 4.16Å; Y521-Q525 HydrophobicContact CE2-CG 3.72Å; Y521-Q525 WeakPolarHBondContact O-CG 3.4Å; Y521-Q525 PolarHBondContact O-N 3.01Å; Y521-I527 HydrophobicContact CE1-CD1 3.79Å
522M95.6Very high90.1Very high0 Ų051.2 Ų51.20%028%0.281CS..Hα-helixtrans-61.7-43-176.7-62-60.6-171.300111.1Y285 T290 G416 L518 V519 Q525 G526 I527Y285-M522 HydrophobicContact CD1-CB 4.27Å; Y285-M522 HydrophobicContact CD1-CE 4.37Å; Y285-M522 HydrophobicContact CD1-CG 3.82Å; Y285-M522 HydrophobicContact CD1-SD 4.37Å; Y285-M522 HydrophobicContact CD2-CG 4.26Å; Y285-M522 HydrophobicContact CE1-CB 3.52Å; Y285-M522 HydrophobicContact CE1-CG 3.58Å; Y285-M522 HydrophobicContact CE1-SD 4.28Å; Y285-M522 HydrophobicContact CE2-CB 3.82Å; Y285-M522 HydrophobicContact CE2-CG 4.05Å; Y285-M522 HydrophobicContact CG-CG 4.17Å; Y285-M522 VanDerWaalsContact OH-CB 3.28Å; Y285-M522 WeakPolarHBondContact OH-CB 3.45Å; T290-M522 HydrophobicContact CG2-CE 3.6Å; G416-M522 WeakPolarHBondContact O-CE 3.27Å; L518-M522 HydrophobicContact CD2-CE 4.03Å; L518-M522 HydrophobicContact CD2-CG 3.85Å; L518-M522 HydrophobicContact CG-CE 4.36Å; L518-M522 WeakPolarHBondContact O-CG 3.37Å; L518-M522 PolarHBondContact O-N 3.07Å; V519-M522 PolarHBondContact O-N 3.46Å; M522-Q525 CarbonylContact O-C 3.47Å; M522-Q525 PolarHBondContact O-N 3.34Å; M522-G526 PolarHBondContact O-N 2.91Å; M522-I527 HydrophobicContact CB-CB 4.26Å; M522-I527 PolarHBondContact O-N 3.31Å; M522-I527 HydrophobicContact SD-CB 3.91Å; M522-I527 HydrophobicContact SD-CD1 3.86Å; M522-I527 HydrophobicContact SD-CG2 3.7Å
523R91.4Very high87.8Confident102 Ų10256.8 Ų56.839%0.38530%0.301SS..Hα-helixtrans-62.1-46.2176.3-173.8178.6-177.91697.7111.9E142 E277 V519 Y521 Q525 G526E142-R523 IonicContact OE1-NH1 2.73Å; E142-R523 IonicContact OE2-CZ 3.4Å; E142-R523 IonicContact OE2-NH1 2.88Å; E142-R523 PolarHBondContact OE2-NH1 2.81Å; E142-R523 IonicContact OE2-NH2 2.81Å; E142-R523 PolarHBondContact OE2-NH2 3.46Å; E277-R523 IonicContact OE2-CZ 3.33Å; E277-R523 IonicContact OE2-NE 2.97Å; E277-R523 IonicContact OE2-NH2 2.94Å; E277-R523 PolarHBondContact OE2-NH2 3.31Å; V519-R523 VanDerWaalsContact O-CB 3.27Å; V519-R523 WeakPolarHBondContact O-CB 3.4Å; V519-R523 PolarHBondContact O-N 3.25Å; Y521-R523 VanDerWaalsContact C-N 3.32Å; Y521-R523 PolarHBondContact O-N 3.01Å; R523-Q525 VanDerWaalsContact C-N 3.26Å; R523-Q525 PolarHBondContact O-N 3Å; R523-G526 PolarHBondContact O-N 2.94Å; R523-G526 VanDerWaalsContact O-N 3.11Å
524M92.7Very high85.1Confident72 Ų7261.8 Ų61.836%0.35533%0.329SS..Hα-helixtrans-58.6-38.5178178.3-169.862.200111.9I481 R482 S520 Y521I481-M524 HydrophobicContact CG2-SD 3.58Å; I481-M524 VanDerWaalsContact CG2-SD 3.58Å; R482-M524 HydrophobicContact CG-CE 4.4Å; R482-M524 HydrophobicContact CG-SD 3.95Å; S520-M524 VanDerWaalsContact O-CB 3.25Å; S520-M524 WeakPolarHBondContact O-CB 3.42Å; S520-M524 PolarHBondContact O-N 3.43Å; Y521-M524 HydrophobicContact CD2-CE 3.85Å; Y521-M524 HydrophobicContact CE2-CE 4.25Å; Y521-M524 PolarHBondContact O-N 3.17Å
525Q93.9Very high82.4Confident97 Ų9766.9 Ų66.945%0.45336%0.356SS..Hα-helixtrans-87-4.8178.9-62.3-61.6-12.300113.9Y521 M522 R523 I527Y521-Q525 HydrophobicContact CD2-CG 4.26Å; Y521-Q525 HydrophobicContact CE1-CG 4.16Å; Y521-Q525 HydrophobicContact CE2-CG 3.72Å; Y521-Q525 WeakPolarHBondContact O-CG 3.4Å; Y521-Q525 PolarHBondContact O-N 3.01Å; M522-Q525 CarbonylContact O-C 3.47Å; M522-Q525 PolarHBondContact O-N 3.34Å; R523-Q525 VanDerWaalsContact C-N 3.26Å; R523-Q525 PolarHBondContact O-N 3Å; Q525-I527 VanDerWaalsContact C-N 3.26Å; Q525-I527 HydrophobicContact CB-CD1 3.56Å; Q525-I527 HydrophobicContact CB-CG1 3.75Å; Q525-I527 HydrophobicContact CG-CD1 4.22Å; Q525-I527 PolarHBondContact O-N 3.18Å
526G91.8Very high79.3Confident62 Ų6272.9 Ų72.964%0.63939%0.387SS*.THydrogen-bonded Turntrans67.624.9-175.400000113.9M522 R523M522-G526 PolarHBondContact O-N 2.91Å; R523-G526 PolarHBondContact O-N 2.94Å; R523-G526 VanDerWaalsContact O-N 3.11Å
527I93.8Very high76.3Confident27 Ų2777.7 Ų77.714%0.13840%0.4CS..PPolyproline II helixtrans-80.4132179.8-62.2164000109.2Y285 V414 D415 Y521 M522 Q525Y285-I527 WeakPolarHBondContact CE1-O 3.03Å; Y285-I527 PolarHBondContact OH-O 3.23Å; V414-I527 WeakPolarHBondContact O-CD1 3.47Å; D415-I527 WeakPolarHBondContact O-CG2 3.43Å; Y521-I527 HydrophobicContact CE1-CD1 3.79Å; M522-I527 HydrophobicContact CB-CB 4.26Å; M522-I527 PolarHBondContact O-N 3.31Å; M522-I527 HydrophobicContact SD-CB 3.91Å; M522-I527 HydrophobicContact SD-CD1 3.86Å; M522-I527 HydrophobicContact SD-CG2 3.7Å; Q525-I527 VanDerWaalsContact C-N 3.26Å; Q525-I527 HydrophobicContact CB-CD1 3.56Å; Q525-I527 HydrophobicContact CB-CG1 3.75Å; Q525-I527 HydrophobicContact CG-CD1 4.22Å; Q525-I527 PolarHBondContact O-N 3.18Å
528K92.4Very high73Confident133 Ų13386.4 Ų86.458%0.57844%0.438SS*.PPolyproline II helixtrans-102.3155.7172.2-59.6-176.5178.1-176.40109.1Y280 L530Y280-K528 HydrophobicContact CE2-CB 4.15Å; Y280-K528 HydrophobicContact CE2-CD 4.4Å; Y280-K528 HydrophobicContact CE2-CG 3.9Å; K528-L530 PolarHBondContact O-N 2.87Å
529P89.5Confident69.6Low7 Ų794.2 Ų94.25%0.04548%0.478CS..PPolyproline II helixtrans-51.3137.1171.3-25.734000111.4Y280 E284 Y285 N531 T532Y280-P529 VanDerWaalsContact CD1-CD 3.46Å; Y280-P529 HydrophobicContact CD1-CG 3.49Å; Y280-P529 VanDerWaalsContact CD1-CG 3.49Å; Y280-P529 HydrophobicContact CD2-CG 4.42Å; Y280-P529 HydrophobicContact CE1-CG 4Å; Y280-P529 VanDerWaalsContact CG-CD 3.44Å; Y280-P529 HydrophobicContact CG-CG 3.71Å; E284-P529 HydrophobicContact CB-CG 4.12Å; E284-P529 WeakPolarHBondContact O-CB 3.4Å; Y285-P529 HydrophobicContact CD1-CB 4.34Å; Y285-P529 HydrophobicContact CD1-CG 3.86Å; Y285-P529 HydrophobicContact CE1-CG 3.96Å; Y285-P529 HydrophobicContact CG-CG 4.3Å; P529-N531 VanDerWaalsContact C-N 3.32Å; P529-N531 PolarHBondContact O-N 3.37Å; P529-T532 HydrophobicContact CB-CG2 3.96Å; P529-T532 HydrophobicContact CG-CG2 4.27Å
530L81.5Confident66.6Low89 Ų8995.6 Ų95.647%0.46650%0.497SS..THydrogen-bonded Turntrans-66.6-35.7-170.6-53.6167.3000111.7G288 K528G288-L530 VanDerWaalsContact O-CB 3.27Å; G288-L530 WeakPolarHBondContact O-CB 3.32Å; G288-L530 PolarHBondContact O-N 2.96Å; K528-L530 PolarHBondContact O-N 2.87Å
531N74.3Confident63.4Low119 Ų11998.6 Ų98.664%0.63651%0.514SS*.THydrogen-bonded Turntrans-10661.4180-65.3-31.2000113.3G288 P529 Q533G288-N531 PolarHBondContact O-N 2.9Å; G288-N531 PolarHBondContact O-ND2 2.82Å; P529-N531 VanDerWaalsContact C-N 3.32Å; P529-N531 PolarHBondContact O-N 3.37Å; N531-Q533 PolarHBondContact O-N 3.22Å
532T56.5Low60.2Low71 Ų71107.8 Ų107.844%0.43656%0.556SS.*  trans-77-3.1173.550.90000114.7Y280 P529 N534Y280-T532 HydrophobicContact CE1-CG2 4Å; P529-T532 HydrophobicContact CB-CG2 3.96Å; P529-T532 HydrophobicContact CG-CG2 4.27Å; T532-N534 PolarHBondContact O-N 3.22Å
533Q41.3Very low57.2Low176 Ų176114.2 Ų114.282%0.82259%0.591SS**THydrogen-bonded Turntrans-89.172.1-177.6-66-102.4-3.900110.8N531N531-Q533 PolarHBondContact O-N 3.22Å
534N37.4Very low54.2Low148 Ų148114.5 Ų114.579%0.79161%0.608SS**THydrogen-bonded Turntrans-166.3-10.3155.8-96.3-18.2000115.8T532T532-N534 PolarHBondContact O-N 3.22Å
535N36.9Very low51.2Low107 Ų107119.6 Ų119.657%0.57263%0.631SS**  trans-101.1-0.5-176.2-74.12.7000115.9Y537N535-Y537 PolarHBondContact O-N 2.94Å
536D30.1Very low48Very low151 Ų151125.1 Ų125.181%0.80765%0.654SS**  trans-76.481.4162-75.2-16.5000107.8K538D536-K538 PolarHBondContact O-N 3.09Å
537Y28.1Very low45Very low184 Ų184132.8 Ų132.872%0.72266%0.664SS**  trans-56.994.1157.9-81.9-87000106.6N535 I539N535-Y537 PolarHBondContact O-N 2.94Å; Y537-I539 PolarHBondContact O-N 3.37Å
538K25.2Very low41.8Very low191 Ų191138.5 Ų138.583%0.8370%0.695SS**  trans-48.8114.7152.6-76.6-177178.4176.40104.3D536 G540D536-K538 PolarHBondContact O-N 3.09Å; K538-G540 PolarHBondContact O-N 3.39Å
539I26.3Very low38.9Very low164 Ų164137.6 Ų137.684%0.84171%0.705SS**  trans-59.483.6163.1-60.9172.6000104.6Y537 T541Y537-I539 PolarHBondContact O-N 3.37Å; I539-T541 PolarHBondContact O-N 2.97Å
540G28.6Very low35.9Very low53 Ų53142.2 Ų142.255%0.54674%0.737SS.*  trans-68.3104.3170.400000104.2K538 H542K538-G540 PolarHBondContact O-N 3.39Å; G540-H542 VanDerWaalsContact C-N 3.27Å; G540-H542 PolarHBondContact O-N 3.07Å
541T27.9Very low33.3Very low117 Ų117143.9 Ų143.972%0.71876%0.755SS**  trans-48.5101.4158.745.60000106.6I539 D543I539-T541 PolarHBondContact O-N 2.97Å; T541-D543 PolarHBondContact O-N 3.24Å
542H30Very low31.1Very low193 Ų193146.8 Ų146.889%0.89476%0.762SS**  trans-67.379166.8-97.3-72.8000106.6G540 S544G540-H542 VanDerWaalsContact C-N 3.27Å; G540-H542 PolarHBondContact O-N 3.07Å; H542-S544 PolarHBondContact O-N 3.48Å
543D31.2Very low29.6Very low136 Ų136151.6 Ų151.673%0.72778%0.781SS**  trans-64.4121.4160.1-87.2-28.7000107T541 E545T541-D543 PolarHBondContact O-N 3.24Å; D543-E545 PolarHBondContact O-N 3.29Å; D543-E545 VanDerWaalsContact O-N 3.1Å
544S29.1Very low29Very low108 Ų108153.8 Ų153.876%0.75578%0.784SS**  trans-52.3105.7177.9530000112H542H542-S544 PolarHBondContact O-N 3.48Å
545E28.8Very low28.4Very low178 Ų178154.8 Ų154.883%0.83278%0.784SS**  trans-113.459156.8-74-164.5154.100110.3D543 R547D543-E545 PolarHBondContact O-N 3.29Å; D543-E545 VanDerWaalsContact O-N 3.1Å; E545-R547 PolarHBondContact O-N 3.35Å; E545-R547 VanDerWaalsContact O-N 3.16Å
546F28.1Very low28Very low213 Ų213154.6 Ų154.693%0.93479%0.79SS**  trans-78.381.2152.4-91.2-86.9000108
547R27.8Very low27.9Very low224 Ų224154.2 Ų154.285%0.84579%0.788SS**  trans-10393.4162.1-84.8-171.6172-175.20.5109.7E545E545-R547 PolarHBondContact O-N 3.35Å; E545-R547 VanDerWaalsContact O-N 3.16Å
548D27.8Very low27.9Very low147 Ų147154.3 Ų154.379%0.78679%0.793SS**  trans43.7100.5130.5-145-2.5000116.9
549S30.4Very low28.3Very low114 Ų114153.9 Ų153.980%0.79780%0.798SS**  trans-135.879155.2-74.50000108.6
550S25.8Very low28.5Very low103 Ų103150.7 Ų150.772%0.7279%0.79SS**  trans5.1112.5145.361.70000116.9
551C28.5Very low28.6Very low125 Ų125157 Ų15785%0.84581%0.805SS**  trans-150.188.7146.3-137.30000112.4
552K28Very low28.8Very low180 Ų180155.9 Ų155.978%0.78381%0.808SS**  trans44103.1143.5-64.3-178.2178.9176.90118.4Y554K552-Y554 PolarHBondContact O-N 3.08Å
553M24.6Very low29.1Very low171 Ų171151.7 Ų151.784%0.84280%0.798SS**  trans-53117.5157-64.3175.998.700110.8H555M553-H555 PolarHBondContact O-N 3.43Å
554Y29.5Very low29.1Very low223 Ų223150.8 Ų150.888%0.87580%0.802SS**  trans-81.4103.6158.2-83.6-89.8000108.4K552K552-Y554 PolarHBondContact O-N 3.08Å
555H23.5Very low29.4Very low169 Ų169155.9 Ų155.978%0.78281%0.806SS**  trans-78.5117.7158.8-88.9-70.8000109M553M553-H555 PolarHBondContact O-N 3.43Å
556S29.7Very low29.9Very low102 Ų102153.1 Ų153.171%0.71380%0.804SS**  trans-160.4101.9145.958.90000110.5
557D27.2Very low30.2Very low143 Ų143149.3 Ų149.377%0.76580%0.798SS**  trans43.1121.5132-70-41.8000122.1
558K28.4Very low30.5Very low187 Ų187146.1 Ų146.181%0.81380%0.798SS**  trans62.792.3133.3-62-180-176.5177.10117.9
559L34Very low31Very low182 Ų182147 Ų14795%0.95380%0.801SS**  trans-127.7107.2140.7-94155.9000109.4
560S29.7Very low31.3Very low96 Ų96147 Ų14767%0.67180%0.798SS**  trans-78.9143.6172.249.20000111.6
561H30.7Very low31.9Very low186 Ų186149.7 Ų149.786%0.86181%0.805SS**  trans84.7110.8155.6-70.1-57.2000121.5
562A32.9Very low32.4Very low93 Ų93149 Ų14977%0.76980%0.798SS**  99.2150.4129.800000119.2
563P35Very low32.9Very low106 Ų106146.3 Ų146.369%0.68880%0.8SS**  cis-125.8167.1-3232.8-14.5000113.1
564S31.3Very low33.6Very low117 Ų117148.6 Ų148.682%0.81880%0.8SS**PPolyproline II helixtrans-62.1128.7177.2460000113.2
565Y36Very low34.2Very low215 Ų215143.9 Ų143.984%0.84380%0.797SS**PPolyproline II helixtrans-76.9139.1169.8-75-89.5000110.9T567Y565-T567 PolarHBondContact O-N 3.33Å
566P37.9Very low34.8Very low120 Ų120142.8 Ų142.878%0.77980%0.797SS**PPolyproline II helixtrans-75.2124.8-177.2-5.822.8000111.1D568P566-D568 PolarHBondContact O-N 3.41Å
567T34.7Very low35.6Very low133 Ų133151.8 Ų151.882%0.81682%0.823SS**  trans-82.589.3163.447.60000108.6Y565Y565-T567 PolarHBondContact O-N 3.33Å
568D35.1Very low36Very low156 Ų156152.2 Ų152.283%0.83483%0.826SS**  trans-167.889.1158-89.3-31.1000109P566P566-D568 PolarHBondContact O-N 3.41Å
569I38.4Very low36.4Very low167 Ų167150.4 Ų150.486%0.85683%0.827SS**  trans-106.7110.6164.8-57.5178.3000106.6
570P36.5Very low36.5Very low114 Ų114148.6 Ų148.674%0.7482%0.82SS**PPolyproline II helixtrans-73.8144.6-178.6-2.816.5000112
571N38.2Very low37Very low159 Ų159151.7 Ų151.785%0.8583%0.829SS**PPolyproline II helixtrans-54.3135.5177.6-77.7-31.2000112.6
572P38Very low37.3Very low110 Ų110149.6 Ų149.671%0.71483%0.827SS**PPolyproline II helixtrans-70.4146.617828.5-32.5000111.6
573P39.9Very low37.6Very low124 Ų124153.3 Ų153.381%0.80583%0.831SS**PPolyproline II helixtrans-79.1136.6-175.331.2-32.3000111.8
574Y39.1Very low37.8Very low219 Ų219156.7 Ų156.786%0.85984%0.841SS**PPolyproline II helixtrans-63.1133.7171-75.2-92.6000111N576Y574-N576 PolarHBondContact O-N 3.04Å
575P42.5Very low38.3Very low123 Ų123159.8 Ų159.880%0.79984%0.843SS**  trans-79.2111.6170.430.3-27.9000109.3
576N35.8Very low38.5Very low147 Ų147155.2 Ų155.279%0.78684%0.843SS**  trans-93106.1156.4-83.6-29.6000107.2Y574Y574-N576 PolarHBondContact O-N 3.04Å
577F46.2Very low38.6Very low290 Ų290158.4 Ų158.4100%1.27285%0.848SS**  trans-166.90138.2-91.1-62.9000109.6

Retrieved 577 of 577 residues in 393 ms (Link to these results)

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