A0A077ZM03_TRITR Loading...

His Phos 2 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZM03, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 597 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M30.5Very low40.7Very low241 Ų241137.7 Ų137.7100%1.18770%0.702SS**  0101.60-73.6-176.2-81.800108K3M1-K3 PolarHBondContact O-N 2.84Å
2E27Very low42.3Very low196 Ų196135.3 Ų135.392%0.91668%0.684SS**  trans-67.8129.7170.2-69172.7111.300108.7M4E2-M4 PolarHBondContact O-N 3.39Å
3K28Very low43.3Very low197 Ų197128.7 Ų128.786%0.85765%0.646SS**  trans-72.5112.8176.2-69.9-178.7177.7-179.40108.1M1 K5M1-K3 PolarHBondContact O-N 2.84Å; K3-K5 PolarHBondContact O-N 2.88Å
4M25.7Very low43.9Very low183 Ų183129.9 Ų129.990%0.90165%0.648SS**  trans-61.187.7156.7-87-171.1160.600108.4E2 C6E2-M4 PolarHBondContact O-N 3.39Å; M4-C6 PolarHBondContact O-N 3.33Å
5K28Very low44.4Very low173 Ų173129 Ų12975%0.75265%0.647SS**  trans-58.8108.8159.9-82.3-167.9171-165.30106.3K3 S7K3-K5 PolarHBondContact O-N 2.88Å; K5-S7 PolarHBondContact O-N 3.22Å
6C37.1Very low44.7Very low106 Ų106131 Ų13172%0.71666%0.66SS**  trans-69.489.4163.7-75.40000107.2M4 C8M4-C6 PolarHBondContact O-N 3.33Å; C6-C8 PolarHBondContact O-N 2.94Å
7S44.7Very low45Very low91 Ų91126.2 Ų126.264%0.63664%0.639SS**  trans-72.427.9-176.2670000113.6K5 W9K5-S7 PolarHBondContact O-N 3.22Å; S7-W9 PolarHBondContact O-N 3Å
8C53.5Low45.2Very low62 Ų62123.3 Ų123.342%0.41962%0.624SS.*SBendtrans-79110.5173-59.60000106.8C6 V10C6-C8 PolarHBondContact O-N 2.94Å; C8-V10 VanDerWaalsContact C-N 3.33Å; C8-V10 PolarHBondContact O-N 3.41Å
9W59.8Low45.2Very low73 Ų73124 Ų12428%0.27763%0.629SS.*SBendtrans67.115.5172.4-33.1-59.9000117.3S7 F12 Y13 M238 E240S7-W9 PolarHBondContact O-N 3Å; W9-F12 HydrophobicContact CB-CB 4.08Å; W9-F12 HydrophobicContact CB-CD1 4.38Å; W9-F12 WeakPolarHBondContact O-CB 3.18Å; W9-F12 PolarHBondContact O-N 3.15Å; W9-Y13 HydrophobicContact CB-CD2 3.91Å; W9-Y13 HydrophobicContact CB-CE2 3.54Å; W9-Y13 HydrophobicContact CD2-CE2 4.31Å; W9-Y13 AromaticContact CE3-CE2 3.81Å; W9-Y13 HydrophobicContact CE3-CE2 3.81Å; W9-Y13 HydrophobicContact CG-CE2 4.29Å; W9-Y13 WeakPolarHBondContact O-CD2 3.21Å; W9-Y13 PolarHBondContact O-N 2.98Å; W9-M238 HydrophobicContact CH2-CB 4.47Å; W9-M238 HydrophobicContact CH2-CG 3.67Å; W9-M238 HydrophobicContact CH2-SD 3.39Å; W9-M238 WeakPolarHBondContact CH2-SD 3.3Å; W9-M238 HydrophobicContact CZ2-CB 3.97Å; W9-M238 HydrophobicContact CZ2-CG 3.64Å; W9-M238 HydrophobicContact CZ2-SD 3.41Å; W9-M238 WeakPolarHBondContact CZ2-SD 3.47Å; W9-E240 PolarHBondContact NE1-OE1 3.14Å
10V56.3Low45.6Very low45 Ų45122.3 Ų122.327%0.27362%0.615SS.*Hα-helixtrans-55.1-56.5174.1176.40000109.9C8 F12 Y13 E14C8-V10 VanDerWaalsContact C-N 3.33Å; C8-V10 PolarHBondContact O-N 3.41Å; V10-F12 PolarHBondContact O-N 2.66Å; V10-Y13 PolarHBondContact O-N 3.35Å; V10-E14 WeakPolarHBondContact CG1-OE1 3.32Å; V10-E14 WeakPolarHBondContact O-CG 3.37Å; V10-E14 PolarHBondContact O-N 2.59Å
11D57.4Low46Very low148 Ų148116.9 Ų116.979%0.79159%0.588SS**Hα-helixtrans-61.3-5.4176.4-41.614.1000114.2
12F59.3Low46.8Very low109 Ų109106.8 Ų106.848%0.47854%0.543SS..Hα-helixtrans-108.3-22.3178.6177.6-91.3000112.5W9 V10 K204W9-F12 HydrophobicContact CB-CB 4.08Å; W9-F12 HydrophobicContact CB-CD1 4.38Å; W9-F12 WeakPolarHBondContact O-CB 3.18Å; W9-F12 PolarHBondContact O-N 3.15Å; V10-F12 PolarHBondContact O-N 2.66Å; F12-K204 HydrophobicContact CE1-CB 4.34Å; F12-K204 HydrophobicContact CZ-CB 4.33Å
13Y56.1Low48.1Very low49 Ų49101.7 Ų101.719%0.19253%0.534CS..Hα-helixtrans-97.8-11176.8-64.3-46.9000114W9 V10 D15 Y21 M44 F45W9-Y13 HydrophobicContact CB-CD2 3.91Å; W9-Y13 HydrophobicContact CB-CE2 3.54Å; W9-Y13 HydrophobicContact CD2-CE2 4.31Å; W9-Y13 AromaticContact CE3-CE2 3.81Å; W9-Y13 HydrophobicContact CE3-CE2 3.81Å; W9-Y13 HydrophobicContact CG-CE2 4.29Å; W9-Y13 WeakPolarHBondContact O-CD2 3.21Å; W9-Y13 PolarHBondContact O-N 2.98Å; V10-Y13 PolarHBondContact O-N 3.35Å; Y13-D15 PolarHBondContact O-N 3.2Å; Y13-Y21 HydrophobicContact CD1-CD1 4.5Å; Y13-Y21 AromaticContact CD1-CE1 3.55Å; Y13-Y21 HydrophobicContact CD1-CE1 3.55Å; Y13-Y21 AromaticContact CD1-CZ 3.92Å; Y13-Y21 HydrophobicContact CE1-CD1 4.36Å; Y13-Y21 AromaticContact CE1-CE1 3.7Å; Y13-Y21 HydrophobicContact CE1-CE1 3.7Å; Y13-M44 HydrophobicContact CE2-CE 4.06Å; Y13-M44 VanDerWaalsContact OH-CE 3.23Å; Y13-M44 WeakPolarHBondContact OH-CE 3.47Å; Y13-F45 HydrophobicContact CD1-CE1 4.48Å
14E51.9Low49.6Very low145 Ų14592.3 Ų92.368%0.67849%0.494SS*.  trans-72.615.1176.3-73.6178.8176.300114.3V10V10-E14 WeakPolarHBondContact CG1-OE1 3.32Å; V10-E14 WeakPolarHBondContact O-CG 3.37Å; V10-E14 PolarHBondContact O-N 2.59Å
15D51.4Low52Low117 Ų11783.9 Ų83.963%0.62645%0.452SS*.SBendtrans-97.8110.7171.1-154.8-10.2000108.9Y13 T17Y13-D15 PolarHBondContact O-N 3.2Å; D15-T17 PolarHBondContact O-N 3.27Å; D15-T17 PolarHBondContact O-OG1 2.83Å
16D48.4Very low54.4Low161 Ų16176.9 Ų76.986%0.86142%0.421SS*.SBendtrans-69.837.8-149.3-101-34.2000117.5
17T49.6Very low56.3Low49 Ų4971.8 Ų71.830%0.30139%0.387SS..  trans-131.584.8-165.137.90000113.7D15 D19 Y20 Y21D15-T17 PolarHBondContact O-N 3.27Å; D15-T17 PolarHBondContact O-OG1 2.83Å; T17-D19 PolarHBondContact O-N 3.45Å; T17-D19 VanDerWaalsContact O-N 3.13Å; T17-Y20 HydrophobicContact CG2-CE2 3.93Å; T17-Y20 PolarHBondContact O-N 2.97Å; T17-Y20 WeakPolarHBondContact OG1-CD2 3.29Å; T17-Y20 WeakPolarHBondContact OG1-CE2 3.46Å; T17-Y21 WeakPolarHBondContact O-CE2 3.48Å
18M48.9Very low57.8Low75 Ų7567.7 Ų67.737%0.36936%0.358SS..G310 helixtrans-58-24.9-177.4-77.4-100.46000115.1Y20 Y21 F45 V58M18-Y20 VanDerWaalsContact C-N 3.26Å; M18-Y20 PolarHBondContact O-N 2.97Å; M18-Y21 HydrophobicContact CE-CD2 3.71Å; M18-Y21 HydrophobicContact CE-CE2 4.35Å; M18-Y21 HydrophobicContact CE-CG 4.33Å; M18-Y21 WeakPolarHBondContact O-CD2 3.24Å; M18-Y21 PolarHBondContact O-N 3.11Å; M18-F45 HydrophobicContact CE-CB 4.42Å; M18-F45 HydrophobicContact CE-CD1 3.47Å; M18-F45 VanDerWaalsContact CE-CD1 3.47Å; M18-F45 HydrophobicContact CE-CE1 3.84Å; M18-F45 HydrophobicContact CE-CG 3.97Å; M18-V58 HydrophobicContact SD-CG1 3.73Å; M18-V58 HydrophobicContact SD-CG2 4.06Å
19D45.9Very low59Low136 Ų13666.2 Ų66.273%0.72735%0.35SS*.G310 helixtrans-62.2-30.5-177.9-61.5-42.4000113T17 Y21 A22T17-D19 PolarHBondContact O-N 3.45Å; T17-D19 VanDerWaalsContact O-N 3.13Å; D19-Y21 PolarHBondContact O-N 3.34Å; D19-A22 WeakPolarHBondContact O-CB 3.24Å; D19-A22 PolarHBondContact O-N 2.78Å
20Y52Low59.8Low89 Ų8963.8 Ų63.835%0.34934%0.342SS..G310 helixtrans-75.4-4-176.3-54.9-46.5000114.9T17 M18 K204T17-Y20 HydrophobicContact CG2-CE2 3.93Å; T17-Y20 PolarHBondContact O-N 2.97Å; T17-Y20 WeakPolarHBondContact OG1-CD2 3.29Å; T17-Y20 WeakPolarHBondContact OG1-CE2 3.46Å; M18-Y20 VanDerWaalsContact C-N 3.26Å; M18-Y20 PolarHBondContact O-N 2.97Å; Y20-K204 PolarHBondContact O-N 2.99Å
21Y53.9Low60.9Low9 Ų964.9 Ų64.94%0.03535%0.351CS..G310 helixtrans-101-6.8177.3-53.3-80.5000112.6Y13 T17 M18 D19 Q25 F45 K204 F205Y13-Y21 HydrophobicContact CD1-CD1 4.5Å; Y13-Y21 AromaticContact CD1-CE1 3.55Å; Y13-Y21 HydrophobicContact CD1-CE1 3.55Å; Y13-Y21 AromaticContact CD1-CZ 3.92Å; Y13-Y21 HydrophobicContact CE1-CD1 4.36Å; Y13-Y21 AromaticContact CE1-CE1 3.7Å; Y13-Y21 HydrophobicContact CE1-CE1 3.7Å; T17-Y21 WeakPolarHBondContact O-CE2 3.48Å; M18-Y21 HydrophobicContact CE-CD2 3.71Å; M18-Y21 HydrophobicContact CE-CE2 4.35Å; M18-Y21 HydrophobicContact CE-CG 4.33Å; M18-Y21 WeakPolarHBondContact O-CD2 3.24Å; M18-Y21 PolarHBondContact O-N 3.11Å; D19-Y21 PolarHBondContact O-N 3.34Å; Y21-Q25 PolarHBondContact O-NE2 3.13Å; Y21-F45 AromaticContact CD1-CE1 3.96Å; Y21-F45 HydrophobicContact CD1-CE1 3.96Å; Y21-F45 AromaticContact CD1-CZ 3.69Å; Y21-F45 HydrophobicContact CD1-CZ 3.69Å; Y21-F45 HydrophobicContact CD2-CE1 4.24Å; Y21-F45 HydrophobicContact CE1-CE1 4.26Å; Y21-F45 HydrophobicContact CE1-CZ 4.33Å; Y21-F45 AromaticContact CG-CE1 3.96Å; Y21-F45 HydrophobicContact CG-CE1 3.96Å; Y21-F45 AromaticContact CG-CZ 3.84Å; Y21-F45 HydrophobicContact CG-CZ 3.84Å; Y21-K204 HydrophobicContact CD1-CB 4.48Å; Y21-K204 HydrophobicContact CE1-CB 3.96Å; Y21-F205 HydrophobicContact CD1-CB 4Å; Y21-F205 HydrophobicContact CE1-CB 4.45Å
22A48.4Very low62.3Low29 Ų2963.7 Ų63.724%0.2434%0.335CS..THydrogen-bonded Turntrans-78.8-37.2-162.700000114.9D19 P61D19-A22 WeakPolarHBondContact O-CB 3.24Å; D19-A22 PolarHBondContact O-N 2.78Å; A22-P61 HydrophobicContact CB-CG 3.96Å; A22-P61 WeakPolarHBondContact O-CB 3.05Å; A22-P61 WeakPolarHBondContact O-CD 3.39Å
23A54.2Low63.5Low89 Ų8958.6 Ų58.674%0.73631%0.313SS*.THydrogen-bonded Turntrans-930.3-169.800000115.1
24G60.2Low64.8Low1 Ų158.2 Ų58.21%0.0131%0.314CS..  trans-90.9-12-170.400000116.2
25Q74.5Confident66.4Low5 Ų556.8 Ų56.82%0.02330%0.302CS..  trans-93.6118.3-161.4-39.3-50.6-16.400112Y21 F41 I60 P61 E63Y21-Q25 PolarHBondContact O-NE2 3.13Å; Q25-F41 HydrophobicContact CB-CE2 3.87Å; Q25-F41 HydrophobicContact CB-CZ 3.83Å; Q25-F41 HydrophobicContact CG-CE1 4.42Å; Q25-F41 HydrophobicContact CG-CE2 4.02Å; Q25-F41 HydrophobicContact CG-CZ 3.88Å; Q25-F41 VanDerWaalsContact OE1-CZ 3.26Å; Q25-I60 HydrophobicContact CG-CG2 3.91Å; Q25-P61 WeakPolarHBondContact CB-O 3.49Å; Q25-P61 WeakPolarHBondContact CG-O 3.42Å; Q25-E63 WeakPolarHBondContact O-CB 2.74Å; Q25-E63 PolarHBondContact O-N 2.97Å
26K79.1Confident68.2Low26 Ų2654.1 Ų54.111%0.11329%0.293CS..EExtended strand (participates in β ladder)trans-123.3131.9176.3-81.9168.5174.9-79.30110.7E63 I65 M72 L73 G207 Y208 S209K26-E63 CarbonylContact C-O 3.59Å; K26-E63 WeakPolarHBondContact CA-O 3.17Å; K26-E63 WeakPolarHBondContact CE-OE2 3.31Å; K26-E63 HydrophobicContact CG-CB 4.02Å; K26-E63 IonicContact NZ-OE1 2.77Å; K26-E63 PolarHBondContact NZ-OE1 3.15Å; K26-E63 IonicContact NZ-OE2 3.55Å; K26-E63 PolarHBondContact NZ-OE2 2.89Å; K26-I65 HydrophobicContact CB-CD1 4.16Å; K26-I65 HydrophobicContact CD-CD1 4.18Å; K26-I65 HydrophobicContact CG-CD1 4.19Å; K26-M72 HydrophobicContact CB-CE 4.21Å; K26-M72 HydrophobicContact CD-CE 3.73Å; K26-M72 HydrophobicContact CD-SD 4.43Å; K26-L73 HydrophobicContact CB-CD1 4.34Å; K26-G207 PolarHBondContact N-O 3.25Å; K26-G207 VanDerWaalsContact N-O 3.08Å; K26-Y208 HydrophobicContact CB-CD1 3.89Å; K26-Y208 HydrophobicContact CB-CE1 3.87Å; K26-Y208 HydrophobicContact CD-CE1 4.12Å; K26-Y208 WeakPolarHBondContact O-CA 3.19Å; K26-S209 PolarHBondContact O-N 3.13Å
27I76Confident70Confident0 Ų046.6 Ų46.60%025%0.254CS..EExtended strand (participates in β ladder)trans-130.2136.6-179.4-62-169.5000110.3A33 I34 F41 I62 E63 V64 I65 S209I27-A33 HydrophobicContact CG2-CB 3.95Å; I27-I34 HydrophobicContact CG2-CB 4.47Å; I27-I34 HydrophobicContact CG2-CG1 3.83Å; I27-F41 HydrophobicContact CD1-CE2 4.32Å; I27-I62 HydrophobicContact CB-CG2 4.04Å; I27-I62 HydrophobicContact CD1-CD1 4.22Å; I27-I62 HydrophobicContact CD1-CG2 3.54Å; I27-I62 HydrophobicContact CG1-CG2 3.69Å; I27-E63 PolarHBondContact N-O 3.4Å; I27-V64 CarbonylContact O-C 3.59Å; I27-V64 WeakPolarHBondContact O-CA 3.17Å; I27-I65 PolarHBondContact O-N 2.87Å; I27-S209 WeakPolarHBondContact CA-O 3.37Å
28H76.4Confident71.6Confident4 Ų447.6 Ų47.62%0.01926%0.255CS..EExtended strand (participates in β ladder)trans-68.4134.5172179.182000110.9I30 D70 L73 S209 H211H28-I30 WeakPolarHBondContact NE2-CD1 3.41Å; H28-I30 WeakPolarHBondContact NE2-CG1 3.36Å; H28-I30 PolarHBondContact O-N 3.09Å; H28-D70 IonicContact CE1-OD2 3.74Å; H28-D70 IonicContact CG-OD2 2.81Å; H28-D70 IonicContact ND1-OD2 3.45Å; H28-D70 PolarHBondContact ND1-OD2 2.86Å; H28-L73 HydrophobicContact CB-CB 4Å; H28-L73 HydrophobicContact CB-CD1 4.27Å; H28-S209 PolarHBondContact N-O 3.38Å; H28-S209 VanDerWaalsContact N-O 3.12Å; H28-H211 AromaticContact CD2-CE1 3.56Å; H28-H211 AromaticContact CD2-NE2 3.07Å; H28-H211 PolarHBondContact CD2-NE2 3.07Å; H28-H211 AromaticContact CG-NE2 3.63Å; H28-H211 AromaticContact NE2-NE2 3.33Å; H28-H211 PolarHBondContact NE2-NE2 2.81Å
29A78.4Confident73.4Confident31 Ų3150.3 Ų50.326%0.25627%0.27SS..SBendtrans-70.556.5-172.700000116V64 I65A29-V64 HydrophobicContact CB-CG1 3.6Å; A29-I65 WeakPolarHBondContact CB-O 3.46Å; A29-I65 PolarHBondContact N-O 2.04Å
30I76.5Confident75.2Confident22 Ų2247.8 Ų47.811%0.11326%0.259CS..SBendtrans-125.8135.3169.3-69.1172.7000108.9H28 R32 A33 I34 Y323H28-I30 WeakPolarHBondContact NE2-CD1 3.41Å; H28-I30 WeakPolarHBondContact NE2-CG1 3.36Å; H28-I30 PolarHBondContact O-N 3.09Å; I30-R32 VanDerWaalsContact C-N 3.3Å; I30-R32 HydrophobicContact CG2-CG 4.03Å; I30-R32 PolarHBondContact O-N 3.1Å; I30-A33 PolarHBondContact O-N 2.96Å; I30-I34 PolarHBondContact O-N 2.64Å; I30-Y323 HydrophobicContact CD1-CD1 3.75Å; I30-Y323 HydrophobicContact CD1-CE1 4.32Å; I30-Y323 HydrophobicContact CG1-CD1 4.35Å; I30-Y323 HydrophobicContact CG2-CD1 4.18Å
31P81Confident76.4Confident69 Ų6944 Ų4445%0.44825%0.245SC..Hα-helixtrans-49.7-39.7-172.5-32.135.9000115.9A33 I34 R35 Y323P31-A33 VanDerWaalsContact C-N 3.35Å; P31-A33 PolarHBondContact O-N 2.63Å; P31-I34 PolarHBondContact O-N 3.48Å; P31-R35 WeakPolarHBondContact O-CG 3.31Å; P31-R35 PolarHBondContact O-N 2.88Å; P31-Y323 WeakPolarHBondContact CD-O 3.35Å
32R85.5Confident77.5Confident122 Ų12249.6 Ų49.646%0.4627%0.269SS..Hα-helixtrans-65.1-33.6179.271.4-178.8174-91.5-10.5113.6I30 S36 H211I30-R32 VanDerWaalsContact C-N 3.3Å; I30-R32 HydrophobicContact CG2-CG 4.03Å; I30-R32 PolarHBondContact O-N 3.1Å; R32-S36 VanDerWaalsContact O-CB 3.24Å; R32-S36 WeakPolarHBondContact O-CB 3.44Å; R32-S36 PolarHBondContact O-N 3.4Å; R32-S36 PolarHBondContact O-OG 3.12Å; R32-H211 PolarHBondContact NH2-CE1 2.69Å; R32-H211 PolarHBondContact NH2-ND1 3.4Å
33A85.6Confident79Confident2 Ų251 Ų512%0.01729%0.287CS..Hα-helixtrans-75.5-41.9178.300000110.4I27 I30 P31 S36 G37 S209I27-A33 HydrophobicContact CG2-CB 3.95Å; I30-A33 PolarHBondContact O-N 2.96Å; P31-A33 VanDerWaalsContact C-N 3.35Å; P31-A33 PolarHBondContact O-N 2.63Å; A33-S36 PolarHBondContact O-N 2.65Å; A33-G37 PolarHBondContact O-N 2.82Å; A33-S209 WeakPolarHBondContact O-CB 3.46Å; A33-S209 PolarHBondContact O-OG 3.3Å
34I82.8Confident80Confident42 Ų4248.9 Ų48.922%0.21526%0.262CS..Hα-helixtrans-56.7-57173.3-60.2170.3000110.4I27 I30 P31 S36 G37 E38 V64I27-I34 HydrophobicContact CG2-CB 4.47Å; I27-I34 HydrophobicContact CG2-CG1 3.83Å; I30-I34 PolarHBondContact O-N 2.64Å; P31-I34 PolarHBondContact O-N 3.48Å; I34-S36 VanDerWaalsContact C-N 3.29Å; I34-S36 PolarHBondContact O-N 3.36Å; I34-G37 PolarHBondContact O-N 3.05Å; I34-E38 HydrophobicContact CG2-CG 4.46Å; I34-E38 WeakPolarHBondContact O-CG 3.36Å; I34-E38 PolarHBondContact O-N 2.99Å; I34-V64 HydrophobicContact CD1-CG1 4.2Å; I34-V64 HydrophobicContact CD1-CG2 4.49Å
35R86.4Confident80.5Confident114 Ų11450.3 Ų50.343%0.4327%0.268SS..Hα-helixtrans-61.5-34.8179.2-65-45.9-168.2-167.4-2.2113.3P31 E38 L39P31-R35 WeakPolarHBondContact O-CG 3.31Å; P31-R35 PolarHBondContact O-N 2.88Å; R35-E38 WeakPolarHBondContact CD-OE2 3.35Å; R35-E38 IonicContact CZ-OE2 2.66Å; R35-E38 IonicContact NE-OE2 2.63Å; R35-E38 VanDerWaalsContact NH1-CD 3.33Å; R35-E38 IonicContact NH1-OE1 3.41Å; R35-E38 PolarHBondContact NH1-OE1 2.94Å; R35-E38 VanDerWaalsContact NH1-OE1 3.12Å; R35-E38 IonicContact NH1-OE2 2.7Å; R35-E38 PolarHBondContact NH1-OE2 3Å; R35-L39 VanDerWaalsContact O-CB 3.24Å; R35-L39 WeakPolarHBondContact O-CB 3.49Å; R35-L39 PolarHBondContact O-N 3.11Å
36S89.4Confident80.1Confident62 Ų6253.8 Ų53.843%0.43429%0.291SS..Hα-helixtrans-68.5-42.1176.4-62.50000112.2R32 A33 I34 V40R32-S36 VanDerWaalsContact O-CB 3.24Å; R32-S36 WeakPolarHBondContact O-CB 3.44Å; R32-S36 PolarHBondContact O-N 3.4Å; R32-S36 PolarHBondContact O-OG 3.12Å; A33-S36 PolarHBondContact O-N 2.65Å; I34-S36 VanDerWaalsContact C-N 3.29Å; I34-S36 PolarHBondContact O-N 3.36Å; S36-V40 WeakPolarHBondContact O-CB 3.39Å; S36-V40 VanDerWaalsContact O-CG2 3.28Å; S36-V40 WeakPolarHBondContact O-CG2 3.43Å; S36-V40 PolarHBondContact O-N 2.93Å
37G85.6Confident79.2Confident3 Ų358.6 Ų58.63%0.03131%0.314CS..Hα-helixtrans-66.1-48.7175.900000112.6A33 I34 L39 V40 F41 S209A33-G37 PolarHBondContact O-N 2.82Å; I34-G37 PolarHBondContact O-N 3.05Å; G37-L39 VanDerWaalsContact C-N 3.29Å; G37-L39 PolarHBondContact O-N 3.43Å; G37-V40 PolarHBondContact O-N 3.38Å; G37-F41 WeakPolarHBondContact O-CB 3.45Å; G37-F41 WeakPolarHBondContact O-CD2 3.48Å; G37-F41 VanDerWaalsContact O-CG 3.24Å; G37-F41 WeakPolarHBondContact O-CG 3.48Å; G37-F41 PolarHBondContact O-N 3.07Å; G37-S209 PolarHBondContact N-OG 3.28Å
38E83Confident78.1Confident69 Ų6964.3 Ų64.332%0.32235%0.349SS..Hα-helixtrans-51.1-47.7173.1-72.7175.5155.900111.9I34 R35 K42 I62I34-E38 HydrophobicContact CG2-CG 4.46Å; I34-E38 WeakPolarHBondContact O-CG 3.36Å; I34-E38 PolarHBondContact O-N 2.99Å; R35-E38 WeakPolarHBondContact CD-OE2 3.35Å; R35-E38 IonicContact CZ-OE2 2.66Å; R35-E38 IonicContact NE-OE2 2.63Å; R35-E38 VanDerWaalsContact NH1-CD 3.33Å; R35-E38 IonicContact NH1-OE1 3.41Å; R35-E38 PolarHBondContact NH1-OE1 2.94Å; R35-E38 VanDerWaalsContact NH1-OE1 3.12Å; R35-E38 IonicContact NH1-OE2 2.7Å; R35-E38 PolarHBondContact NH1-OE2 3Å; E38-K42 WeakPolarHBondContact O-CB 3.36Å; E38-K42 PolarHBondContact O-N 3.04Å; E38-I62 HydrophobicContact CG-CD1 4.06Å
39L86.1Confident76.4Confident132 Ų13271.1 Ų71.169%0.69138%0.384SS*.Hα-helixtrans-67-42.3-179.6-178.662.5000112.5R35 G37 G43R35-L39 VanDerWaalsContact O-CB 3.24Å; R35-L39 WeakPolarHBondContact O-CB 3.49Å; R35-L39 PolarHBondContact O-N 3.11Å; G37-L39 VanDerWaalsContact C-N 3.29Å; G37-L39 PolarHBondContact O-N 3.43Å; L39-G43 PolarHBondContact O-N 2.89Å
40V84.3Confident74.2Confident83 Ų8374 Ų7450%0.50341%0.408SS..Hα-helixtrans-64.6-46.4176.7167.20000110.7S36 G37 G43 M44S36-V40 WeakPolarHBondContact O-CB 3.39Å; S36-V40 VanDerWaalsContact O-CG2 3.28Å; S36-V40 WeakPolarHBondContact O-CG2 3.43Å; S36-V40 PolarHBondContact O-N 2.93Å; G37-V40 PolarHBondContact O-N 3.38Å; V40-G43 CarbonylContact O-C 3.58Å; V40-G43 WeakPolarHBondContact O-CA 3.46Å; V40-G43 PolarHBondContact O-N 3.09Å; V40-G43 VanDerWaalsContact O-N 3.1Å; V40-M44 HydrophobicContact CG1-CG 4.36Å; V40-M44 HydrophobicContact CG1-SD 3.97Å; V40-M44 WeakPolarHBondContact O-CG 3.49Å; V40-M44 PolarHBondContact O-N 3.1Å
41F77.1Confident72.4Confident10 Ų1080.8 Ų80.84%0.04444%0.437CS..Hα-helixtrans-65.3-40.9179.6-60.7-39.1000112.2Q25 I27 G37 G43 M44 F45 I60 I62 F205Q25-F41 HydrophobicContact CB-CE2 3.87Å; Q25-F41 HydrophobicContact CB-CZ 3.83Å; Q25-F41 HydrophobicContact CG-CE1 4.42Å; Q25-F41 HydrophobicContact CG-CE2 4.02Å; Q25-F41 HydrophobicContact CG-CZ 3.88Å; Q25-F41 VanDerWaalsContact OE1-CZ 3.26Å; I27-F41 HydrophobicContact CD1-CE2 4.32Å; G37-F41 WeakPolarHBondContact O-CB 3.45Å; G37-F41 WeakPolarHBondContact O-CD2 3.48Å; G37-F41 VanDerWaalsContact O-CG 3.24Å; G37-F41 WeakPolarHBondContact O-CG 3.48Å; G37-F41 PolarHBondContact O-N 3.07Å; F41-G43 PolarHBondContact O-N 3.08Å; F41-M44 PolarHBondContact O-N 3.43Å; F41-F45 WeakPolarHBondContact O-CD2 3.45Å; F41-F45 PolarHBondContact O-N 3.31Å; F41-I60 HydrophobicContact CB-CD1 3.84Å; F41-I62 HydrophobicContact CD2-CD1 3.98Å; F41-I62 HydrophobicContact CD2-CG1 4.29Å; F41-I62 HydrophobicContact CE2-CD1 4.15Å; F41-I62 HydrophobicContact CE2-CG1 4.18Å; F41-F205 HydrophobicContact CD1-CE1 4.25Å; F41-F205 AromaticContact CE1-CE1 3.83Å; F41-F205 HydrophobicContact CE1-CE1 3.83Å; F41-F205 HydrophobicContact CE1-CZ 4.18Å
42K77.7Confident70.5Confident126 Ų12687.7 Ų87.755%0.54846%0.46SS..Hα-helixtrans-65.5-25.6172.4-174.9172173.2105.40113.1E38 E47E38-K42 WeakPolarHBondContact O-CB 3.36Å; E38-K42 PolarHBondContact O-N 3.04Å; K42-E47 IonicContact NZ-OE1 3.28Å; K42-E47 PolarHBondContact NZ-OE1 3.29Å
43G80.2Confident68.7Low59 Ų5987.4 Ų87.461%0.60847%0.467SS*.Hα-helixtrans-79.1-31.7172.200000114.3L39 V40 F41L39-G43 PolarHBondContact O-N 2.89Å; V40-G43 CarbonylContact O-C 3.58Å; V40-G43 WeakPolarHBondContact O-CA 3.46Å; V40-G43 PolarHBondContact O-N 3.09Å; V40-G43 VanDerWaalsContact O-N 3.1Å; F41-G43 PolarHBondContact O-N 3.08Å
44M75.3Confident66.9Low45 Ų4592.2 Ų92.222%0.22250%0.5CS..Hα-helixtrans-77.2-38.7176.2-73.8-179.959.500112.7Y13 V40 F41 P46 F205Y13-M44 HydrophobicContact CE2-CE 4.06Å; Y13-M44 VanDerWaalsContact OH-CE 3.23Å; Y13-M44 WeakPolarHBondContact OH-CE 3.47Å; V40-M44 HydrophobicContact CG1-CG 4.36Å; V40-M44 HydrophobicContact CG1-SD 3.97Å; V40-M44 WeakPolarHBondContact O-CG 3.49Å; V40-M44 PolarHBondContact O-N 3.1Å; F41-M44 PolarHBondContact O-N 3.43Å; M44-P46 WeakPolarHBondContact O-CD 3.37Å; M44-F205 HydrophobicContact CE-CD1 4.27Å; M44-F205 HydrophobicContact CE-CD2 4.32Å; M44-F205 HydrophobicContact CE-CE1 3.77Å; M44-F205 HydrophobicContact CE-CE2 3.83Å; M44-F205 HydrophobicContact CE-CZ 3.54Å; M44-F205 HydrophobicContact SD-CE1 4.26Å; M44-F205 HydrophobicContact SD-CZ 3.85Å
45F70.7Confident65.1Low30 Ų3099.5 Ų99.513%0.13253%0.53CS..SBendtrans-116.368.4179.8-53.1-75.4000109.5Y13 M18 Y21 F41 I60Y13-F45 HydrophobicContact CD1-CE1 4.48Å; M18-F45 HydrophobicContact CE-CB 4.42Å; M18-F45 HydrophobicContact CE-CD1 3.47Å; M18-F45 VanDerWaalsContact CE-CD1 3.47Å; M18-F45 HydrophobicContact CE-CE1 3.84Å; M18-F45 HydrophobicContact CE-CG 3.97Å; Y21-F45 AromaticContact CD1-CE1 3.96Å; Y21-F45 HydrophobicContact CD1-CE1 3.96Å; Y21-F45 AromaticContact CD1-CZ 3.69Å; Y21-F45 HydrophobicContact CD1-CZ 3.69Å; Y21-F45 HydrophobicContact CD2-CE1 4.24Å; Y21-F45 HydrophobicContact CE1-CE1 4.26Å; Y21-F45 HydrophobicContact CE1-CZ 4.33Å; Y21-F45 AromaticContact CG-CE1 3.96Å; Y21-F45 HydrophobicContact CG-CE1 3.96Å; Y21-F45 AromaticContact CG-CZ 3.84Å; Y21-F45 HydrophobicContact CG-CZ 3.84Å; F41-F45 WeakPolarHBondContact O-CD2 3.45Å; F41-F45 PolarHBondContact O-N 3.31Å; F45-I60 HydrophobicContact CB-CD1 4.2Å; F45-I60 HydrophobicContact CD2-CD1 3.48Å; F45-I60 VanDerWaalsContact CD2-CD1 3.48Å; F45-I60 HydrophobicContact CE2-CD1 4.21Å; F45-I60 HydrophobicContact CG-CD1 4.13Å
46P65.6Low63.1Low78 Ų7896.1 Ų96.151%0.50653%0.53SS..  trans-67.3145.5-178.630.2-36.2000110.9M44 T48M44-P46 WeakPolarHBondContact O-CD 3.37Å; P46-T48 PolarHBondContact O-N 2.91Å
47E60.8Low61.3Low128 Ų12895.4 Ų95.460%0.59853%0.525SS*.  trans-65.292.5178.7-71.4160-135.600111.3K42 I49K42-E47 IonicContact NZ-OE1 3.28Å; K42-E47 PolarHBondContact NZ-OE1 3.29Å; E47-I49 PolarHBondContact O-N 3.12Å
48T51.2Low59.9Low120 Ų12099.1 Ų99.174%0.73655%0.547SS*.  trans-75.793.8-179.635.20000111.8P46P46-T48 PolarHBondContact O-N 2.91Å
49I41.6Very low59Low147 Ų147104.2 Ų104.275%0.75457%0.568SS**SBendtrans73.696.7156.9-50.6171000115.3E47E47-I49 PolarHBondContact O-N 3.12Å
50A31.2Very low58.1Low91 Ų9199.9 Ų99.975%0.75255%0.545SS*.  trans61.366.4141.900000119.7
51F39.5Very low57.4Low165 Ų16599.3 Ų99.372%0.72454%0.543SS*.  trans-101.4110.5147.8-70.6-79.4000109.9D53F51-D53 PolarHBondContact O-N 3.32Å
52K41.6Very low57.2Low214 Ų214101.3 Ų101.393%0.9355%0.553SS**SBendtrans-70.1-15.2-177.9-93.5-175.2173.3-179.30114.4
53D47.3Very low57.3Low115 Ų11599.8 Ų99.862%0.61555%0.548SS*.SBendtrans-113.6138165.8-62.3-62.3000108.6F51 K55F51-D53 PolarHBondContact O-N 3.32Å; D53-K55 PolarHBondContact O-N 3.04Å
54C48.8Very low57.3Low103 Ų103100.1 Ų100.170%0.69654%0.538SS*.THydrogen-bonded Turntrans-75.452.4-179.6-174.30000113C57C54-C57 WeakPolarHBondContact CA-SG 3.35Å; C54-C57 HydrophobicContact CB-CB 4.48Å; C54-C57 WeakPolarHBondContact CB-SG 3.06Å; C54-C57 WeakPolarHBondContact SG-CB 3.48Å; C54-C57 CovalentContact SG-SG 2.04Å; C54-C57 PolarHBondContact SG-SG 3.34Å
55K43.9Very low57.3Low195 Ų19598.8 Ų98.885%0.84853%0.532SS*.THydrogen-bonded Turntrans-91.4-17.3169.9-73.1178.9175.6172.40112.9D53D53-K55 PolarHBondContact O-N 3.04Å
56G43.7Very low57.5Low43 Ų43100.8 Ų100.844%0.44355%0.548SS..SBendtrans-106.210.7177.900000115V58G56-V58 PolarHBondContact O-N 2.9Å; G56-V58 VanDerWaalsContact O-N 3.16Å
57C53Low57.6Low47 Ų4798.2 Ų98.232%0.31853%0.533SS..  trans-69.2109.5-176.6-66.40000111.1C54 K59C54-C57 WeakPolarHBondContact CA-SG 3.35Å; C54-C57 HydrophobicContact CB-CB 4.48Å; C54-C57 WeakPolarHBondContact CB-SG 3.06Å; C54-C57 WeakPolarHBondContact SG-CB 3.48Å; C54-C57 CovalentContact SG-SG 2.04Å; C54-C57 PolarHBondContact SG-SG 3.34Å; C57-K59 PolarHBondContact O-N 3.19Å
58V56.4Low57.9Low81 Ų8197.5 Ų97.549%0.49153%0.53SS..  trans-58.7122.5-176.4-179.90000110.9M18 G56 I60M18-V58 HydrophobicContact SD-CG1 3.73Å; M18-V58 HydrophobicContact SD-CG2 4.06Å; G56-V58 PolarHBondContact O-N 2.9Å; G56-V58 VanDerWaalsContact O-N 3.16Å; V58-I60 HydrophobicContact CG1-CG1 4.11Å
59K64.1Low58.8Low177 Ų17797.1 Ų97.177%0.7752%0.523SS*.  trans-100.9104.9174.1-65.9-174.9-177.7-179.50109.6C57 P61C57-K59 PolarHBondContact O-N 3.19Å; K59-P61 WeakPolarHBondContact O-CD 3.46Å
60I65.4Low60.4Low41 Ų4190.1 Ų90.121%0.2149%0.488CS..  trans-84.6117.9171.5-59.6171.6000107.3Q25 F41 F45 V58Q25-I60 HydrophobicContact CG-CG2 3.91Å; F41-I60 HydrophobicContact CB-CD1 3.84Å; F45-I60 HydrophobicContact CB-CD1 4.2Å; F45-I60 HydrophobicContact CD2-CD1 3.48Å; F45-I60 VanDerWaalsContact CD2-CD1 3.48Å; F45-I60 HydrophobicContact CE2-CD1 4.21Å; F45-I60 HydrophobicContact CG-CD1 4.13Å; V58-I60 HydrophobicContact CG1-CG1 4.11Å
61P70.3Confident62.5Low70 Ų7089.1 Ų89.146%0.45547%0.472SS..  trans-63.3143172.7-1932.3000110.8A22 Q25 K59A22-P61 HydrophobicContact CB-CG 3.96Å; A22-P61 WeakPolarHBondContact O-CB 3.05Å; A22-P61 WeakPolarHBondContact O-CD 3.39Å; Q25-P61 WeakPolarHBondContact CB-O 3.49Å; Q25-P61 WeakPolarHBondContact CG-O 3.42Å; K59-P61 WeakPolarHBondContact O-CD 3.46Å
62I72.1Confident64.5Low52 Ų5282.2 Ų82.227%0.26744%0.442SS..  trans-131.6116.3177.2-64.3178.9000106.9I27 E38 F41 V64I27-I62 HydrophobicContact CB-CG2 4.04Å; I27-I62 HydrophobicContact CD1-CD1 4.22Å; I27-I62 HydrophobicContact CD1-CG2 3.54Å; I27-I62 HydrophobicContact CG1-CG2 3.69Å; E38-I62 HydrophobicContact CG-CD1 4.06Å; F41-I62 HydrophobicContact CD2-CD1 3.98Å; F41-I62 HydrophobicContact CD2-CG1 4.29Å; F41-I62 HydrophobicContact CE2-CD1 4.15Å; F41-I62 HydrophobicContact CE2-CG1 4.18Å; I62-V64 HydrophobicContact CG2-CG2 4.04Å; I62-V64 PolarHBondContact O-N 2.85Å
63E81.3Confident66.6Low95 Ų9572 Ų7244%0.44440%0.398SS..EExtended strand (participates in β ladder)trans-81114.9171.3-165.4-160.613500108.8Q25 K26 I27Q25-E63 WeakPolarHBondContact O-CB 2.74Å; Q25-E63 PolarHBondContact O-N 2.97Å; K26-E63 CarbonylContact C-O 3.59Å; K26-E63 WeakPolarHBondContact CA-O 3.17Å; K26-E63 WeakPolarHBondContact CE-OE2 3.31Å; K26-E63 HydrophobicContact CG-CB 4.02Å; K26-E63 IonicContact NZ-OE1 2.77Å; K26-E63 PolarHBondContact NZ-OE1 3.15Å; K26-E63 IonicContact NZ-OE2 3.55Å; K26-E63 PolarHBondContact NZ-OE2 2.89Å; I27-E63 PolarHBondContact N-O 3.4Å
64V78.6Confident68Low65 Ų6567.4 Ų67.439%0.39437%0.373SS..EExtended strand (participates in β ladder)trans-96.4118.8177.6177.50000109I27 A29 I34 I62 P66I27-V64 CarbonylContact O-C 3.59Å; I27-V64 WeakPolarHBondContact O-CA 3.17Å; A29-V64 HydrophobicContact CB-CG1 3.6Å; I34-V64 HydrophobicContact CD1-CG1 4.2Å; I34-V64 HydrophobicContact CD1-CG2 4.49Å; I62-V64 HydrophobicContact CG2-CG2 4.04Å; I62-V64 PolarHBondContact O-N 2.85Å; V64-P66 WeakPolarHBondContact O-CD 3.3Å
65I76.2Confident69.2Low18 Ų1862.5 Ų62.59%0.09234%0.34CS..EExtended strand (participates in β ladder)trans-92.9115.6-177.1-51.9177.8000109.2K26 I27 A29 A67 D70 M72 L73K26-I65 HydrophobicContact CB-CD1 4.16Å; K26-I65 HydrophobicContact CD-CD1 4.18Å; K26-I65 HydrophobicContact CG-CD1 4.19Å; I27-I65 PolarHBondContact O-N 2.87Å; A29-I65 WeakPolarHBondContact CB-O 3.46Å; A29-I65 PolarHBondContact N-O 2.04Å; I65-A67 PolarHBondContact O-N 3.31Å; I65-D70 HydrophobicContact CB-CB 4.49Å; I65-D70 HydrophobicContact CG2-CB 3.72Å; I65-M72 HydrophobicContact CD1-CE 4.08Å; I65-L73 HydrophobicContact CD1-CD1 4.23Å
66P74.2Confident70.2Confident71 Ų7154.5 Ų54.546%0.46131%0.307SS..  trans-58.7134.5178-23.834.4000111.7V64 E68 N69 D70V64-P66 WeakPolarHBondContact O-CD 3.3Å; P66-E68 VanDerWaalsContact C-N 3.29Å; P66-E68 PolarHBondContact O-N 3.5Å; P66-N69 CarbonylContact O-C 3.52Å; P66-N69 PolarHBondContact O-N 3.24Å; P66-D70 PolarHBondContact O-N 2.96Å
67A69.3Low71.3Confident24 Ų2454.9 Ų54.920%0.19830%0.295CS..G310 helixtrans-56.6-39.1-169.800000113.5I65 N69 D70 R85I65-A67 PolarHBondContact O-N 3.31Å; A67-N69 VanDerWaalsContact C-N 3.27Å; A67-N69 PolarHBondContact O-N 3.17Å; A67-D70 PolarHBondContact O-N 3.23Å; A67-R85 PolarHBondContact O-NH1 3.21Å
68E66.4Low71.9Confident114 Ų11452.9 Ų52.953%0.53328%0.282SS..G310 helixtrans-53.6-42.5174.9-59.2178.6161.200113P66 R85P66-E68 VanDerWaalsContact C-N 3.29Å; P66-E68 PolarHBondContact O-N 3.5Å; E68-R85 PolarHBondContact O-NH2 3.15Å
69N69.1Low72.4Confident112 Ų11250.3 Ų50.360%0.59927%0.266SS*.G310 helixtrans-97-2.5-175.2-66.6-58000112.9P66 A67 T71P66-N69 CarbonylContact O-C 3.52Å; P66-N69 PolarHBondContact O-N 3.24Å; A67-N69 VanDerWaalsContact C-N 3.27Å; A67-N69 PolarHBondContact O-N 3.17Å; N69-T71 PolarHBondContact O-N 2.95Å; N69-T71 VanDerWaalsContact O-N 3.14Å
70D75.1Confident72.4Confident0 Ų042 Ų420%023%0.23CC..  trans-75.4107.2-179.6-163.5-19.9000110.6H28 I65 P66 A67 M72 L73 D74 R85H28-D70 IonicContact CE1-OD2 3.74Å; H28-D70 IonicContact CG-OD2 2.81Å; H28-D70 IonicContact ND1-OD2 3.45Å; H28-D70 PolarHBondContact ND1-OD2 2.86Å; I65-D70 HydrophobicContact CB-CB 4.49Å; I65-D70 HydrophobicContact CG2-CB 3.72Å; P66-D70 PolarHBondContact O-N 2.96Å; A67-D70 PolarHBondContact O-N 3.23Å; D70-M72 PolarHBondContact OD1-N 3.16Å; D70-L73 PolarHBondContact OD1-N 2.79Å; D70-L73 WeakPolarHBondContact OD2-CB 3.19Å; D70-D74 HydrophobicContact CB-CB 4.33Å; D70-D74 PolarHBondContact OD1-N 3.34Å; D70-R85 PolarHBondContact O-NH1 3.02Å; D70-R85 PolarHBondContact O-NH2 3.44Å
71T75.5Confident71.9Confident69 Ų6943.5 Ų43.542%0.42324%0.242SC..SBendtrans-111.721.9174.6600000111.4N69 A78 N181N69-T71 PolarHBondContact O-N 2.95Å; N69-T71 VanDerWaalsContact O-N 3.14Å; T71-A78 VanDerWaalsContact C-CB 3.43Å; T71-A78 WeakPolarHBondContact CB-O 3.41Å; T71-A78 WeakPolarHBondContact CG2-O 3.49Å; T71-A78 WeakPolarHBondContact O-CB 3.47Å; T71-N181 VanDerWaalsContact O-CB 3.23Å; T71-N181 WeakPolarHBondContact O-CB 3.4Å; T71-N181 PolarHBondContact O-ND2 2.92Å
72M81.9Confident71.1Confident20 Ų2045 Ų4510%0.09924%0.239CC..SBendtrans-139.6-41.8-172.6-163.7-166.672.300114.6K26 I65 D70 L75 L182 R185 Y208K26-M72 HydrophobicContact CB-CE 4.21Å; K26-M72 HydrophobicContact CD-CE 3.73Å; K26-M72 HydrophobicContact CD-SD 4.43Å; I65-M72 HydrophobicContact CD1-CE 4.08Å; D70-M72 PolarHBondContact OD1-N 3.16Å; M72-L75 VanDerWaalsContact O-CD2 3.27Å; M72-L75 WeakPolarHBondContact O-CD2 3.48Å; M72-L75 WeakPolarHBondContact O-CG 3.11Å; M72-L182 HydrophobicContact CE-CD1 4.12Å; M72-L182 HydrophobicContact CG-CB 4.17Å; M72-L182 HydrophobicContact CG-CD1 4.19Å; M72-L182 WeakPolarHBondContact O-CB 3.45Å; M72-L182 HydrophobicContact SD-CD1 4.33Å; M72-R185 HydrophobicContact SD-CB 3.94Å; M72-R185 HydrophobicContact SD-CG 3.77Å; M72-Y208 HydrophobicContact CE-CD1 3.89Å; M72-Y208 HydrophobicContact CE-CE1 3.64Å
73L85.5Confident70.3Confident0 Ų046 Ų460%025%0.249CC..SBendtrans-102.8-31179.4-58.5177.2000112.1K26 H28 I65 D70 L75 L182 Y208 A210 T214K26-L73 HydrophobicContact CB-CD1 4.34Å; H28-L73 HydrophobicContact CB-CB 4Å; H28-L73 HydrophobicContact CB-CD1 4.27Å; I65-L73 HydrophobicContact CD1-CD1 4.23Å; D70-L73 PolarHBondContact OD1-N 2.79Å; D70-L73 WeakPolarHBondContact OD2-CB 3.19Å; L73-L75 PolarHBondContact O-N 3.28Å; L73-L182 HydrophobicContact CD2-CD1 3.99Å; L73-L182 HydrophobicContact CD2-CD2 4.15Å; L73-Y208 HydrophobicContact CD2-CD1 3.9Å; L73-Y208 HydrophobicContact CD2-CG 4.24Å; L73-A210 HydrophobicContact CB-CB 3.91Å; L73-A210 HydrophobicContact CD2-CB 4.22Å; L73-A210 HydrophobicContact CG-CB 4.47Å; L73-T214 HydrophobicContact CD2-CG2 4.34Å; L73-T214 WeakPolarHBondContact O-CG2 3.26Å; L73-T214 PolarHBondContact O-OG1 3.38Å
74D77.9Confident69Low18 Ų1846.4 Ų46.410%0.09625%0.247CC..  trans-79.568.7164.7-171.416.7000111.8D70 N76 Y77 A78 R85D70-D74 HydrophobicContact CB-CB 4.33Å; D70-D74 PolarHBondContact OD1-N 3.34Å; D74-N76 PolarHBondContact O-N 3Å; D74-N76 WeakPolarHBondContact OD1-CB 3.27Å; D74-N76 PolarHBondContact OD1-N 3.46Å; D74-N76 PolarHBondContact OD1-ND2 3Å; D74-Y77 PolarHBondContact O-N 3.45Å; D74-Y77 WeakPolarHBondContact OD2-CD2 3.46Å; D74-A78 PolarHBondContact O-N 3.01Å; D74-R85 IonicContact OD2-NH1 3.15Å
75L72.9Confident68.3Low1 Ų144.1 Ų44.11%0.00523%0.231CC..THydrogen-bonded Turntrans-74.226.3175.8-60.7179.9000113.4M72 L73 A78 R178 L182 T214 A217M72-L75 VanDerWaalsContact O-CD2 3.27Å; M72-L75 WeakPolarHBondContact O-CD2 3.48Å; M72-L75 WeakPolarHBondContact O-CG 3.11Å; L73-L75 PolarHBondContact O-N 3.28Å; L75-A78 HydrophobicContact CD2-CB 4.08Å; L75-R178 WeakPolarHBondContact O-CB 3.49Å; L75-L182 HydrophobicContact CD1-CB 4.01Å; L75-L182 HydrophobicContact CD1-CD2 4.19Å; L75-T214 HydrophobicContact CD1-CG2 3.96Å; L75-T214 HydrophobicContact CG-CG2 4.3Å; L75-A217 HydrophobicContact CB-CB 4Å; L75-A217 HydrophobicContact CD1-CB 3.64Å; L75-A217 HydrophobicContact CG-CB 4.47Å
76N66.1Low67.4Low27 Ų2744.9 Ų44.914%0.14424%0.237CC..THydrogen-bonded Turntrans-86.7-30.8163.9-59.7-70.8000111.5D74 Y174 F213D74-N76 PolarHBondContact O-N 3Å; D74-N76 WeakPolarHBondContact OD1-CB 3.27Å; D74-N76 PolarHBondContact OD1-N 3.46Å; D74-N76 PolarHBondContact OD1-ND2 3Å; N76-Y174 WeakPolarHBondContact CA-OH 3.37Å; N76-Y174 PolarHBondContact OD1-OH 3.41Å; N76-F213 WeakPolarHBondContact OD1-CB 3.36Å; N76-F213 WeakPolarHBondContact OD1-CG 3.34Å
77Y65.3Low66.3Low51 Ų5142.1 Ų42.120%0.222%0.22CC..THydrogen-bonded Turntrans-148.117.4-168.7-34.9-82.9000114.3D74 N79 C80 R85 V89 L177D74-Y77 PolarHBondContact O-N 3.45Å; D74-Y77 WeakPolarHBondContact OD2-CD2 3.46Å; Y77-N79 PolarHBondContact O-N 3.5Å; Y77-C80 WeakPolarHBondContact O-CA 3.46Å; Y77-C80 VanDerWaalsContact O-CB 3.3Å; Y77-C80 WeakPolarHBondContact O-CB 3.37Å; Y77-C80 PolarHBondContact O-N 2.91Å; Y77-R85 VanDerWaalsContact CB-CG 3.48Å; Y77-R85 HydrophobicContact CD1-CB 3.88Å; Y77-R85 WeakPolarHBondContact CD1-O 3.29Å; Y77-R85 HydrophobicContact CD2-CB 3.97Å; Y77-R85 HydrophobicContact CD2-CG 4.46Å; Y77-R85 VanDerWaalsContact CE1-C 3.48Å; Y77-R85 VanDerWaalsContact CE1-O 3.31Å; Y77-R85 WeakPolarHBondContact CE1-O 3.49Å; Y77-R85 HydrophobicContact CG-CB 3.57Å; Y77-R85 HydrophobicContact CG-CG 4.03Å; Y77-V89 HydrophobicContact CD1-CB 4.09Å; Y77-V89 HydrophobicContact CD1-CG2 3.52Å; Y77-V89 HydrophobicContact CE1-CB 3.68Å; Y77-V89 HydrophobicContact CE1-CG1 3.85Å; Y77-V89 HydrophobicContact CE1-CG2 3.5Å; Y77-V89 VanDerWaalsContact CE1-CG2 3.5Å; Y77-L177 CarbonylContact C-O 3.54Å
78A67Low65.6Low5 Ų541.4 Ų41.44%0.04121%0.213CC..THydrogen-bonded Turntrans-59.1-24.8-166.700000115.9T71 D74 L75 R178T71-A78 VanDerWaalsContact C-CB 3.43Å; T71-A78 WeakPolarHBondContact CB-O 3.41Å; T71-A78 WeakPolarHBondContact CG2-O 3.49Å; T71-A78 WeakPolarHBondContact O-CB 3.47Å; D74-A78 PolarHBondContact O-N 3.01Å; L75-A78 HydrophobicContact CD2-CB 4.08Å; A78-R178 WeakPolarHBondContact CB-O 3.44Å
79N67.1Low65.2Low27 Ų2737.1 Ų37.114%0.14419%0.194CC..THydrogen-bonded Turntrans-90.5-7.9172.9-72.6-6.4000113.4Y77 L176 L177 G179 N181 I289 M291Y77-N79 PolarHBondContact O-N 3.5Å; N79-L176 PolarHBondContact ND2-O 2.87Å; N79-L177 WeakPolarHBondContact CB-O 3.22Å; N79-L177 PolarHBondContact N-O 3Å; N79-L177 VanDerWaalsContact N-O 3.14Å; N79-G179 VanDerWaalsContact ND2-CA 3.26Å; N79-G179 WeakPolarHBondContact ND2-CA 3.4Å; N79-G179 PolarHBondContact ND2-N 3.4Å; N79-N181 PolarHBondContact OD1-ND2 3.41Å; N79-I289 PolarHBondContact ND2-O 3.36Å; N79-M291 HydrophobicContact CB-CB 4.28Å; N79-M291 HydrophobicContact CB-CE 3.68Å; N79-M291 HydrophobicContact CB-CG 3.89Å; N79-M291 HydrophobicContact CB-SD 4.33Å; N79-M291 VanDerWaalsContact O-CE 3.27Å; N79-M291 WeakPolarHBondContact O-CE 3.37Å
80C64.1Low64.8Low3 Ų335.5 Ų35.52%0.0219%0.192CC..SBendtrans-90.3118.6179.4-60.30000110.5Y77 R85 L88Y77-C80 WeakPolarHBondContact O-CA 3.46Å; Y77-C80 VanDerWaalsContact O-CB 3.3Å; Y77-C80 WeakPolarHBondContact O-CB 3.37Å; Y77-C80 PolarHBondContact O-N 2.91Å; C80-R85 HydrophobicContact CB-CG 3.95Å; C80-R85 VanDerWaalsContact O-CG 3.3Å; C80-R85 WeakPolarHBondContact O-CG 3.28Å; C80-R85 PolarHBondContact O-NE 2.93Å; C80-L88 HydrophobicContact CB-CD1 4.39Å
81P55Low64Low71 Ų7138 Ų3846%0.46121%0.209SC..PPolyproline II helixtrans-63.3141.9171.525-31.5000110.6Y84P81-Y84 HydrophobicContact CG-CD2 4.15Å; P81-Y84 WeakPolarHBondContact O-CB 3.39Å; P81-Y84 WeakPolarHBondContact O-CD2 3.36Å; P81-Y84 PolarHBondContact O-N 3.35Å
82Y53.1Low63.4Low103 Ų10335.4 Ų35.440%0.40419%0.193SC..THydrogen-bonded Turntrans-59.9143.1168.8-173.5-89.7000110.1L320Y82-L320 HydrophobicContact CE2-CD1 4.49Å
83P54Low62.8Low72 Ų7242.5 Ų42.547%0.46823%0.225SC..THydrogen-bonded Turncis-90.67.70.637-36.3000114.4R85P83-R85 PolarHBondContact O-N 3.34Å
84Y54.9Low62.3Low104 Ų10443.9 Ų43.941%0.40823%0.233SC..SBendtrans-693-171.5-55.3-78.8000115.3P81 L88P81-Y84 HydrophobicContact CG-CD2 4.15Å; P81-Y84 WeakPolarHBondContact O-CB 3.39Å; P81-Y84 WeakPolarHBondContact O-CD2 3.36Å; P81-Y84 PolarHBondContact O-N 3.35Å; Y84-L88 WeakPolarHBondContact O-CB 3.45Å; Y84-L88 WeakPolarHBondContact O-CD1 3.44Å; Y84-L88 VanDerWaalsContact O-CG 3.26Å; Y84-L88 WeakPolarHBondContact O-CG 3.33Å; Y84-L88 PolarHBondContact O-N 3.09Å
85R63Low62.2Low16 Ų1646.7 Ų46.76%0.0625%0.252CS..Hα-helixtrans-61-75.3-173.4-71.5-171.7173.1-175.37.2113.5A67 E68 D70 D74 Y77 C80 P83 P87A67-R85 PolarHBondContact O-NH1 3.21Å; E68-R85 PolarHBondContact O-NH2 3.15Å; D70-R85 PolarHBondContact O-NH1 3.02Å; D70-R85 PolarHBondContact O-NH2 3.44Å; D74-R85 IonicContact OD2-NH1 3.15Å; Y77-R85 VanDerWaalsContact CB-CG 3.48Å; Y77-R85 HydrophobicContact CD1-CB 3.88Å; Y77-R85 WeakPolarHBondContact CD1-O 3.29Å; Y77-R85 HydrophobicContact CD2-CB 3.97Å; Y77-R85 HydrophobicContact CD2-CG 4.46Å; Y77-R85 VanDerWaalsContact CE1-C 3.48Å; Y77-R85 VanDerWaalsContact CE1-O 3.31Å; Y77-R85 WeakPolarHBondContact CE1-O 3.49Å; Y77-R85 HydrophobicContact CG-CB 3.57Å; Y77-R85 HydrophobicContact CG-CG 4.03Å; C80-R85 HydrophobicContact CB-CG 3.95Å; C80-R85 VanDerWaalsContact O-CG 3.3Å; C80-R85 WeakPolarHBondContact O-CG 3.28Å; C80-R85 PolarHBondContact O-NE 2.93Å; P83-R85 PolarHBondContact O-N 3.34Å; R85-P87 VanDerWaalsContact C-CD 3.43Å
86P57.3Low62.6Low34 Ų3447.5 Ų47.522%0.22126%0.26CS..Hα-helixtrans-53.5-41.6177.4-21.527.7000115.7S90P86-S90 PolarHBondContact O-N 3.29Å
87P51Low63.4Low14 Ų1451 Ų519%0.09127%0.274CS..Hα-helixtrans-67.1-46.7-174.7-16.324.2000114.8R85 V89 S90 C91 M304 A312R85-P87 VanDerWaalsContact C-CD 3.43Å; P87-V89 PolarHBondContact O-N 3.02Å; P87-S90 WeakPolarHBondContact O-CA 3.45Å; P87-S90 WeakPolarHBondContact O-CB 3.43Å; P87-S90 PolarHBondContact O-N 2.87Å; P87-S90 PolarHBondContact O-OG 3.17Å; P87-C91 PolarHBondContact O-N 2.84Å; P87-C91 PolarHBondContact O-SG 3.46Å; P87-C91 VanDerWaalsContact O-SG 3.42Å; P87-M304 HydrophobicContact CB-CE 3.22Å; P87-M304 HydrophobicContact CB-SD 3.46Å; P87-M304 WeakPolarHBondContact CB-SD 3.45Å; P87-M304 HydrophobicContact CG-CE 3.79Å; P87-M304 HydrophobicContact CG-SD 4.26Å; P87-A312 HydrophobicContact CB-CB 3.9Å; P87-A312 HydrophobicContact CG-CB 3.66Å
88L55.5Low64.4Low9 Ų955.1 Ų55.15%0.04730%0.295CS..Hα-helixtrans-59.6-36.1-178.3-73.1172.7000111.5C80 Y84 S90 C91 L177 I300 R301C80-L88 HydrophobicContact CB-CD1 4.39Å; Y84-L88 WeakPolarHBondContact O-CB 3.45Å; Y84-L88 WeakPolarHBondContact O-CD1 3.44Å; Y84-L88 VanDerWaalsContact O-CG 3.26Å; Y84-L88 WeakPolarHBondContact O-CG 3.33Å; Y84-L88 PolarHBondContact O-N 3.09Å; L88-S90 VanDerWaalsContact C-N 3.33Å; L88-C91 PolarHBondContact O-N 3.04Å; L88-L177 HydrophobicContact CB-CD1 4.22Å; L88-L177 HydrophobicContact CB-CD2 4.42Å; L88-I300 HydrophobicContact CD2-CG2 4.21Å; L88-R301 HydrophobicContact CD2-CG 4.38Å
89V58.8Low65.4Low24 Ų2459.9 Ų59.915%0.14531%0.312CS..Hα-helixtrans-62.6-35.3172.7134.30000112.9Y77 P87 V92 Y168 Y174 L177Y77-V89 HydrophobicContact CD1-CB 4.09Å; Y77-V89 HydrophobicContact CD1-CG2 3.52Å; Y77-V89 HydrophobicContact CE1-CB 3.68Å; Y77-V89 HydrophobicContact CE1-CG1 3.85Å; Y77-V89 HydrophobicContact CE1-CG2 3.5Å; Y77-V89 VanDerWaalsContact CE1-CG2 3.5Å; P87-V89 PolarHBondContact O-N 3.02Å; V89-V92 PolarHBondContact O-N 3.22Å; V89-Y168 WeakPolarHBondContact CB-OH 3.09Å; V89-Y168 WeakPolarHBondContact CG1-OH 3.31Å; V89-Y168 WeakPolarHBondContact CG2-OH 3.38Å; V89-Y174 HydrophobicContact CG2-CD2 4.1Å; V89-Y174 HydrophobicContact CG2-CE2 3.86Å; V89-L177 HydrophobicContact CG2-CD1 4.09Å
90S60.3Low66.5Low78 Ų7860 Ų6055%0.54531%0.313SS..Hα-helixtrans-74.2-24.2177.175.80000113.9P86 P87 L88 V92P86-S90 PolarHBondContact O-N 3.29Å; P87-S90 WeakPolarHBondContact O-CA 3.45Å; P87-S90 WeakPolarHBondContact O-CB 3.43Å; P87-S90 PolarHBondContact O-N 2.87Å; P87-S90 PolarHBondContact O-OG 3.17Å; L88-S90 VanDerWaalsContact C-N 3.33Å; S90-V92 VanDerWaalsContact C-N 3.29Å; S90-V92 PolarHBondContact O-N 2.77Å
91C57.1Low67.7Low53 Ų5363.3 Ų63.336%0.35833%0.333SS..THydrogen-bonded Turntrans-80.1-3.8176-57.80000113.5P87 L88 E93 E308P87-C91 PolarHBondContact O-N 2.84Å; P87-C91 PolarHBondContact O-SG 3.46Å; P87-C91 VanDerWaalsContact O-SG 3.42Å; L88-C91 PolarHBondContact O-N 3.04Å; C91-E93 PolarHBondContact O-N 2.91Å; C91-E308 PolarHBondContact SG-OE1 2.95Å
92V64.1Low69.5Low14 Ų1467.3 Ų67.39%0.08534%0.343CS..  trans-71.6114.8-178.51750000111.7V89 S90 I94 Y168 C171 E173 L177V89-V92 PolarHBondContact O-N 3.22Å; S90-V92 VanDerWaalsContact C-N 3.29Å; S90-V92 PolarHBondContact O-N 2.77Å; V92-I94 PolarHBondContact O-N 2.85Å; V92-I94 VanDerWaalsContact O-N 3.12Å; V92-Y168 HydrophobicContact CB-CE2 4.3Å; V92-Y168 HydrophobicContact CG1-CE2 4.3Å; V92-C171 HydrophobicContact CG1-CB 4.35Å; V92-C171 WeakPolarHBondContact CG1-SG 3.21Å; V92-E173 HydrophobicContact CG1-CB 4.37Å; V92-L177 HydrophobicContact CG2-CD1 3.81Å
93E69.5Low71.5Confident168 Ų16868.1 Ų68.179%0.78535%0.348SS*.  trans-76.894172.5-66.9-157150.400111.7C91 P95C91-E93 PolarHBondContact O-N 2.91Å; E93-P95 VanDerWaalsContact O-CD 3.25Å; E93-P95 WeakPolarHBondContact O-CD 3.21Å
94I75.1Confident73.5Confident30 Ų3065.4 Ų65.415%0.15433%0.329CS..  trans-61.5119178.9-51.5178.2000111V92 G96 K97 A167 Y168V92-I94 PolarHBondContact O-N 2.85Å; V92-I94 VanDerWaalsContact O-N 3.12Å; I94-G96 PolarHBondContact O-N 2.92Å; I94-K97 HydrophobicContact CB-CB 4.33Å; I94-K97 VanDerWaalsContact O-CB 3.28Å; I94-K97 WeakPolarHBondContact O-CB 3.1Å; I94-K97 PolarHBondContact O-N 3.1Å; I94-A167 HydrophobicContact CG2-CB 3.65Å; I94-Y168 HydrophobicContact CD1-CD2 3.66Å; I94-Y168 HydrophobicContact CD1-CG 4.38Å; I94-Y168 HydrophobicContact CG1-CD2 3.89Å
95P75.8Confident75.4Confident77 Ų7765 Ų6550%0.533%0.331SS..THydrogen-bonded Turntrans-62.5124.4179.5-2536000112.6E93E93-P95 VanDerWaalsContact O-CD 3.25Å; E93-P95 WeakPolarHBondContact O-CD 3.21Å
96G80.6Confident77Confident17 Ų1769.9 Ų69.918%0.17536%0.359CS..THydrogen-bonded Turntrans81.814.5179.200000115.2I94 E98 R99 L100I94-G96 PolarHBondContact O-N 2.92Å; G96-E98 VanDerWaalsContact C-N 3.26Å; G96-E98 PolarHBondContact O-N 3.46Å; G96-R99 WeakPolarHBondContact O-CB 3.11Å; G96-R99 PolarHBondContact O-N 3.34Å; G96-L100 PolarHBondContact O-N 2.83Å
97K83.3Confident78.8Confident101 Ų10168.5 Ų68.544%0.43935%0.35SS..Hα-helixtrans-47.9-41.7175-179.5178.7-177.9178.30113.8I94 R99 L100 T101I94-K97 HydrophobicContact CB-CB 4.33Å; I94-K97 VanDerWaalsContact O-CB 3.28Å; I94-K97 WeakPolarHBondContact O-CB 3.1Å; I94-K97 PolarHBondContact O-N 3.1Å; K97-R99 VanDerWaalsContact C-N 3.32Å; K97-R99 PolarHBondContact O-N 3.1Å; K97-L100 PolarHBondContact O-N 3.34Å; K97-T101 WeakPolarHBondContact O-CB 3.27Å; K97-T101 PolarHBondContact O-N 3.16Å; K97-T101 PolarHBondContact O-OG1 2.79Å
98E86.1Confident80.8Confident137 Ų13769.2 Ų69.264%0.6435%0.352SS*.Hα-helixtrans-66-38.6-179.4-61.559.9-12500110.6G96 T101 K102G96-E98 VanDerWaalsContact C-N 3.26Å; G96-E98 PolarHBondContact O-N 3.46Å; E98-T101 WeakPolarHBondContact O-CB 3.23Å; E98-T101 PolarHBondContact O-N 3.15Å; E98-K102 WeakPolarHBondContact O-CB 3.38Å; E98-K102 PolarHBondContact O-N 2.89Å
99R88.6Confident82.7Confident106 Ų10673.7 Ų73.740%0.437%0.374SS..Hα-helixtrans-74.6-36.5-179.9-168.5177.967.2147.715.4111.8G96 K97 K103 E575G96-R99 WeakPolarHBondContact O-CB 3.11Å; G96-R99 PolarHBondContact O-N 3.34Å; K97-R99 VanDerWaalsContact C-N 3.32Å; K97-R99 PolarHBondContact O-N 3.1Å; R99-K103 VanDerWaalsContact O-CB 3.27Å; R99-K103 WeakPolarHBondContact O-CB 3.29Å; R99-K103 PolarHBondContact O-N 3.35Å; R99-E575 IonicContact CZ-OE1 2.89Å; R99-E575 IonicContact CZ-OE2 3.95Å; R99-E575 IonicContact NH1-OE1 3.38Å; R99-E575 PolarHBondContact NH1-OE1 3.36Å; R99-E575 IonicContact NH1-OE2 2.79Å; R99-E575 PolarHBondContact NH1-OE2 3.25Å; R99-E575 IonicContact NH2-OE1 3.73Å; R99-E575 PolarHBondContact NH2-OE1 3.13Å; R99-E575 IonicContact NH2-OE2 3.76Å
100L88.6Confident84.4Confident30 Ų3077 Ų7716%0.15739%0.388CS..Hα-helixtrans-65.9-43.5169.6-73.3163.9000111.4G96 K97 K102 K103 H104 E163 A167G96-L100 PolarHBondContact O-N 2.83Å; K97-L100 PolarHBondContact O-N 3.34Å; L100-K102 VanDerWaalsContact C-N 3.33Å; L100-K102 PolarHBondContact O-N 3.14Å; L100-K103 PolarHBondContact O-N 3.3Å; L100-H104 PolarHBondContact O-CD2 3.05Å; L100-H104 VanDerWaalsContact O-CD2 3.32Å; L100-H104 PolarHBondContact O-N 3.34Å; L100-H104 VanDerWaalsContact O-N 3.11Å; L100-E163 HydrophobicContact CD2-CB 4.11Å; L100-A167 HydrophobicContact CD1-CB 3.45Å; L100-A167 VanDerWaalsContact CD1-CB 3.45Å
101T89.7Confident85.9Confident72 Ų7273.3 Ų73.344%0.44236%0.362SS..Hα-helixtrans-55.7-48.2174.2-56.70000110.8K97 E98 H104 E105 L108K97-T101 WeakPolarHBondContact O-CB 3.27Å; K97-T101 PolarHBondContact O-N 3.16Å; K97-T101 PolarHBondContact O-OG1 2.79Å; E98-T101 WeakPolarHBondContact O-CB 3.23Å; E98-T101 PolarHBondContact O-N 3.15Å; T101-H104 CarbonylContact O-C 3.58Å; T101-H104 PolarHBondContact O-N 2.84Å; T101-E105 WeakPolarHBondContact O-CA 3.45Å; T101-E105 PolarHBondContact O-N 2.94Å; T101-E105 VanDerWaalsContact O-N 3.13Å; T101-L108 HydrophobicContact CG2-CD1 4.01Å
102K94Very high87.7Confident154 Ų15472.1 Ų72.167%0.6736%0.356SS*.Hα-helixtrans-66.7-36.1176.5-173173.3-175.91760113.6E98 L100 H104 E105E98-K102 WeakPolarHBondContact O-CB 3.38Å; E98-K102 PolarHBondContact O-N 2.89Å; L100-K102 VanDerWaalsContact C-N 3.33Å; L100-K102 PolarHBondContact O-N 3.14Å; K102-H104 VanDerWaalsContact C-N 3.25Å; K102-H104 PolarHBondContact O-N 3.48Å; K102-E105 WeakPolarHBondContact O-CB 3.43Å; K102-E105 PolarHBondContact O-N 3.39Å
103K95.1Very high89.1Confident120 Ų12080 Ų8052%0.52239%0.39SS..Hα-helixtrans-66.5-27.5178.8-178.5178.5173.4-167.80112.9R99 L100 E163R99-K103 VanDerWaalsContact O-CB 3.27Å; R99-K103 WeakPolarHBondContact O-CB 3.29Å; R99-K103 PolarHBondContact O-N 3.35Å; L100-K103 PolarHBondContact O-N 3.3Å; K103-E163 WeakPolarHBondContact CD-OE2 3.41Å; K103-E163 WeakPolarHBondContact CE-OE1 3.27Å; K103-E163 WeakPolarHBondContact CE-OE2 3.36Å; K103-E163 IonicContact NZ-OE1 3.2Å; K103-E163 PolarHBondContact NZ-OE1 3.34Å; K103-E163 IonicContact NZ-OE2 2.65Å; K103-E163 PolarHBondContact NZ-OE2 2.75Å
104H95Very high90Very high15 Ų1574.9 Ų74.97%0.06937%0.367CS..THydrogen-bonded Turntrans-115.523.5-178.7-63.3-71.7000112.4L100 T101 K102 D106 V107 L108 L160 E163L100-H104 PolarHBondContact O-CD2 3.05Å; L100-H104 VanDerWaalsContact O-CD2 3.32Å; L100-H104 PolarHBondContact O-N 3.34Å; L100-H104 VanDerWaalsContact O-N 3.11Å; T101-H104 CarbonylContact O-C 3.58Å; T101-H104 PolarHBondContact O-N 2.84Å; K102-H104 VanDerWaalsContact C-N 3.25Å; K102-H104 PolarHBondContact O-N 3.48Å; H104-D106 VanDerWaalsContact C-N 3.33Å; H104-D106 PolarHBondContact O-N 3.25Å; H104-V107 HydrophobicContact CB-CG1 3.93Å; H104-V107 VanDerWaalsContact O-CG1 3.24Å; H104-V107 WeakPolarHBondContact O-CG1 3.35Å; H104-V107 PolarHBondContact O-N 2.91Å; H104-L108 HydrophobicContact CB-CD1 4.37Å; H104-L108 WeakPolarHBondContact O-CG 3.13Å; H104-L108 PolarHBondContact O-N 3.22Å; H104-L160 HydrophobicContact CB-CB 4.17Å; H104-L160 HydrophobicContact CB-CD1 3.76Å; H104-L160 HydrophobicContact CB-CG 4.39Å; H104-E163 IonicContact CD2-OE2 2.77Å; H104-E163 IonicContact CE1-OE2 3.47Å; H104-E163 IonicContact NE2-OE2 3.83Å; H104-E163 PolarHBondContact NE2-OE2 2.7Å
105E95.4Very high90.6Very high96 Ų9676.1 Ų76.145%0.44937%0.373SS..Hα-helixtrans-58.2-42.5-173-165.4166.6175.800111.9T101 K102 V107 L108 M109T101-E105 WeakPolarHBondContact O-CA 3.45Å; T101-E105 PolarHBondContact O-N 2.94Å; T101-E105 VanDerWaalsContact O-N 3.13Å; K102-E105 WeakPolarHBondContact O-CB 3.43Å; K102-E105 PolarHBondContact O-N 3.39Å; E105-V107 PolarHBondContact O-N 3.25Å; E105-L108 PolarHBondContact O-N 2.82Å; E105-M109 HydrophobicContact CG-CE 4.2Å; E105-M109 WeakPolarHBondContact O-CB 3.42Å; E105-M109 WeakPolarHBondContact O-CG 3.39Å; E105-M109 PolarHBondContact O-N 3.09Å
106D95.3Very high91.4Very high119 Ų11981.9 Ų81.964%0.63639%0.39SS*.Hα-helixtrans-60-41180-61.7-39000114H104 Q110H104-D106 VanDerWaalsContact C-N 3.33Å; H104-D106 PolarHBondContact O-N 3.25Å; D106-Q110 WeakPolarHBondContact O-CG 3.19Å; D106-Q110 PolarHBondContact O-N 3.48Å; D106-Q110 PolarHBondContact O-NE2 3.13Å
107V95.2Very high91.8Very high5 Ų586.3 Ų86.33%0.0340%0.402CS..Hα-helixtrans-79.7-34.5178.962.50000111H104 E105 Q110 I111 F153 A156 L157 L160H104-V107 HydrophobicContact CB-CG1 3.93Å; H104-V107 VanDerWaalsContact O-CG1 3.24Å; H104-V107 WeakPolarHBondContact O-CG1 3.35Å; H104-V107 PolarHBondContact O-N 2.91Å; E105-V107 PolarHBondContact O-N 3.25Å; V107-Q110 PolarHBondContact O-N 2.78Å; V107-I111 HydrophobicContact CG2-CD1 4.13Å; V107-I111 VanDerWaalsContact O-CG1 3.25Å; V107-I111 WeakPolarHBondContact O-CG1 3.3Å; V107-I111 PolarHBondContact O-N 2.79Å; V107-F153 HydrophobicContact CG2-CD2 4.25Å; V107-F153 HydrophobicContact CG2-CE2 3.93Å; V107-A156 HydrophobicContact CB-CB 4.07Å; V107-A156 HydrophobicContact CG1-CB 4.4Å; V107-A156 HydrophobicContact CG2-CB 4.15Å; V107-L157 HydrophobicContact CG2-CB 4.26Å; V107-L160 HydrophobicContact CG1-CB 4.33Å; V107-L160 HydrophobicContact CG1-CD2 4.11Å
108L94.8Very high92Very high28 Ų2890.2 Ų90.215%0.14742%0.419CS..Hα-helixtrans-64.6-38.3173-70.9169000112.1T101 H104 E105 I111 A112 P119 N124 L160T101-L108 HydrophobicContact CG2-CD1 4.01Å; H104-L108 HydrophobicContact CB-CD1 4.37Å; H104-L108 WeakPolarHBondContact O-CG 3.13Å; H104-L108 PolarHBondContact O-N 3.22Å; E105-L108 PolarHBondContact O-N 2.82Å; L108-I111 PolarHBondContact O-N 3.41Å; L108-A112 WeakPolarHBondContact O-CB 3.43Å; L108-A112 PolarHBondContact O-N 3.14Å; L108-P119 HydrophobicContact CD2-CG 4.1Å; L108-N124 WeakPolarHBondContact CD2-ND2 3.43Å; L108-L160 HydrophobicContact CD2-CD1 4.48Å; L108-L160 HydrophobicContact CD2-CD2 3.67Å; L108-L160 HydrophobicContact CG-CD2 4.07Å
109M95.1Very high91.8Very high104 Ų10484.8 Ų84.851%0.51240%0.395SS..Hα-helixtrans-65.7-41.4172.7-74.7-170.1-66.100112.1E105 A112 K113E105-M109 HydrophobicContact CG-CE 4.2Å; E105-M109 WeakPolarHBondContact O-CB 3.42Å; E105-M109 WeakPolarHBondContact O-CG 3.39Å; E105-M109 PolarHBondContact O-N 3.09Å; M109-A112 PolarHBondContact O-N 3.06Å; M109-K113 PolarHBondContact O-N 3.31Å
110Q93.7Very high91.5Very high93 Ų9386.6 Ų86.644%0.43540%0.402SS..Hα-helixtrans-61.9-45.8174.5-76.4169.877.200111.7D106 V107 A112 K113 I114 F153D106-Q110 WeakPolarHBondContact O-CG 3.19Å; D106-Q110 PolarHBondContact O-N 3.48Å; D106-Q110 PolarHBondContact O-NE2 3.13Å; V107-Q110 PolarHBondContact O-N 2.78Å; Q110-A112 PolarHBondContact O-N 2.87Å; Q110-K113 PolarHBondContact O-N 3.46Å; Q110-I114 WeakPolarHBondContact O-CD1 3.42Å; Q110-I114 VanDerWaalsContact O-CG1 3.28Å; Q110-I114 WeakPolarHBondContact O-CG1 3.23Å; Q110-I114 PolarHBondContact O-N 3.27Å; Q110-F153 HydrophobicContact CB-CD2 4.41Å; Q110-F153 HydrophobicContact CB-CE2 3.96Å
111I93.1Very high91Very high1 Ų189 Ų891%0.00542%0.418CS..Hα-helixtrans-61.5-44.8175.3-64.3164.1000110.4V107 L108 K113 I114 I115 P119 L127 F153 L157 L160V107-I111 HydrophobicContact CG2-CD1 4.13Å; V107-I111 VanDerWaalsContact O-CG1 3.25Å; V107-I111 WeakPolarHBondContact O-CG1 3.3Å; V107-I111 PolarHBondContact O-N 2.79Å; L108-I111 PolarHBondContact O-N 3.41Å; I111-K113 VanDerWaalsContact C-N 3.29Å; I111-K113 PolarHBondContact O-N 2.65Å; I111-I114 PolarHBondContact O-N 3.47Å; I111-I115 HydrophobicContact CG2-CD1 4.29Å; I111-I115 HydrophobicContact CG2-CG2 4.35Å; I111-I115 WeakPolarHBondContact O-CG1 3.34Å; I111-I115 PolarHBondContact O-N 3.31Å; I111-P119 HydrophobicContact CG2-CB 3.87Å; I111-P119 HydrophobicContact CG2-CG 4.25Å; I111-L127 HydrophobicContact CD1-CD2 4.26Å; I111-L127 HydrophobicContact CG1-CD2 3.9Å; I111-L127 HydrophobicContact CG2-CD2 4.25Å; I111-F153 HydrophobicContact CG1-CE2 4.21Å; I111-F153 HydrophobicContact CG1-CZ 3.94Å; I111-L157 HydrophobicContact CD1-CD1 3.99Å; I111-L160 HydrophobicContact CD1-CD2 4.49Å
112A93.5Very high90.4Very high28 Ų2889.4 Ų89.423%0.23142%0.416CS..Hα-helixtrans-57.9-40.8177.900000112.6L108 M109 Q110 K116 R117L108-A112 WeakPolarHBondContact O-CB 3.43Å; L108-A112 PolarHBondContact O-N 3.14Å; M109-A112 PolarHBondContact O-N 3.06Å; Q110-A112 PolarHBondContact O-N 2.87Å; A112-K116 WeakPolarHBondContact O-CA 3.41Å; A112-K116 PolarHBondContact O-N 3.24Å; A112-R117 VanDerWaalsContact CA-O 3.29Å; A112-R117 WeakPolarHBondContact CA-O 3.37Å; A112-R117 PolarHBondContact O-N 3.07Å
113K93Very high89.9Confident180 Ų18083.5 Ų83.578%0.78339%0.392SS*.Hα-helixtrans-65.6-38.6174.3-174178.1-179.8178.10112.5M109 Q110 I111M109-K113 PolarHBondContact O-N 3.31Å; Q110-K113 PolarHBondContact O-N 3.46Å; I111-K113 VanDerWaalsContact C-N 3.29Å; I111-K113 PolarHBondContact O-N 2.65Å
114I89Confident89.5Confident60 Ų6078.4 Ų78.431%0.30837%0.37SS..Hα-helixtrans-68.3-45.2178.3-68.7157.4000111.2Q110 I111 W147 F153Q110-I114 WeakPolarHBondContact O-CD1 3.42Å; Q110-I114 VanDerWaalsContact O-CG1 3.28Å; Q110-I114 WeakPolarHBondContact O-CG1 3.23Å; Q110-I114 PolarHBondContact O-N 3.27Å; I111-I114 PolarHBondContact O-N 3.47Å; I114-W147 HydrophobicContact CD1-CD2 3.7Å; I114-W147 HydrophobicContact CD1-CE3 3.45Å; I114-W147 VanDerWaalsContact CD1-CE3 3.45Å; I114-W147 HydrophobicContact CD1-CG 4.34Å; I114-W147 HydrophobicContact CD1-CH2 4.21Å; I114-W147 HydrophobicContact CD1-CZ2 4.4Å; I114-W147 HydrophobicContact CD1-CZ3 3.74Å; I114-W147 HydrophobicContact CG1-CD2 4.24Å; I114-W147 HydrophobicContact CG1-CE3 4.43Å; I114-W147 HydrophobicContact CG2-CH2 3.93Å; I114-W147 HydrophobicContact CG2-CZ2 3.72Å; I114-F153 HydrophobicContact CD1-CE2 4.31Å; I114-F153 HydrophobicContact CD1-CZ 4.13Å
115I88.5Confident89.1Confident55 Ų5579.1 Ų79.128%0.28237%0.372SS..Hα-helixtrans-91.52.8-175.875.3177.8000114I111 R117 P119 D123I111-I115 HydrophobicContact CG2-CD1 4.29Å; I111-I115 HydrophobicContact CG2-CG2 4.35Å; I111-I115 WeakPolarHBondContact O-CG1 3.34Å; I111-I115 PolarHBondContact O-N 3.31Å; I115-R117 HydrophobicContact CD1-CG 3.97Å; I115-R117 HydrophobicContact CG1-CG 3.85Å; I115-R117 VanDerWaalsContact CG1-O 3.28Å; I115-R117 WeakPolarHBondContact CG1-O 3.27Å; I115-R117 PolarHBondContact O-N 3.42Å; I115-R117 VanDerWaalsContact O-N 3.13Å; I115-P119 HydrophobicContact CD1-CB 3.97Å; I115-D123 HydrophobicContact CD1-CB 4.44Å
116K91.2Very high88.6Confident198 Ų19876 Ų7686%0.86137%0.367SS*.THydrogen-bonded Turntrans55.318.6-176.4-60-172.4177-173.90116.1A112A112-K116 WeakPolarHBondContact O-CA 3.41Å; A112-K116 PolarHBondContact O-N 3.24Å
117R90.1Very high88.4Confident111 Ų11171.9 Ų71.942%0.41934%0.344SS..SBendtrans-155.2169.6178.163.2172175.975.51.4111.5A112 I115 D123A112-R117 VanDerWaalsContact CA-O 3.29Å; A112-R117 WeakPolarHBondContact CA-O 3.37Å; A112-R117 PolarHBondContact O-N 3.07Å; I115-R117 HydrophobicContact CD1-CG 3.97Å; I115-R117 HydrophobicContact CG1-CG 3.85Å; I115-R117 VanDerWaalsContact CG1-O 3.28Å; I115-R117 WeakPolarHBondContact CG1-O 3.27Å; I115-R117 PolarHBondContact O-N 3.42Å; I115-R117 VanDerWaalsContact O-N 3.13Å; R117-D123 IonicContact CZ-OD1 2.7Å; R117-D123 IonicContact CZ-OD2 3.66Å; R117-D123 IonicContact NH1-OD1 3.91Å; R117-D123 IonicContact NH1-OD2 3.17Å; R117-D123 PolarHBondContact NH1-OD2 3.34Å; R117-D123 VanDerWaalsContact NH2-CG 3.27Å; R117-D123 IonicContact NH2-OD1 3.58Å; R117-D123 PolarHBondContact NH2-OD1 3.07Å; R117-D123 IonicContact NH2-OD2 3.12Å; R117-D123 PolarHBondContact NH2-OD2 3.15Å
118K86.3Confident88.3Confident183 Ų18372.6 Ų72.680%0.79635%0.347SS*.PPolyproline II helixtrans-60127.9172.4-170.3173.7-177175.80110.6
119P83.8Confident88.1Confident23 Ų2375.1 Ų75.115%0.14936%0.361CS..PPolyproline II helixtrans-71.8138.8174.626.9-32.9000111.5L108 I111 I115 N124L108-P119 HydrophobicContact CD2-CG 4.1Å; I111-P119 HydrophobicContact CG2-CB 3.87Å; I111-P119 HydrophobicContact CG2-CG 4.25Å; I115-P119 HydrophobicContact CD1-CB 3.97Å; P119-N124 WeakPolarHBondContact CB-OD1 3.37Å
120R81.4Confident87.8Confident143 Ų14372.3 Ų72.354%0.5435%0.354SS..PPolyproline II helixtrans-93.9162.3166.3-51.2164.9-64.2-179.94.8108.3M122 D123 N124R120-M122 VanDerWaalsContact C-N 3.32Å; R120-M122 PolarHBondContact O-N 3.03Å; R120-D123 WeakPolarHBondContact CA-OD2 3.29Å; R120-D123 WeakPolarHBondContact CB-OD2 3.38Å; R120-D123 WeakPolarHBondContact CG-OD2 3.48Å; R120-D123 IonicContact CZ-OD1 2.66Å; R120-D123 IonicContact CZ-OD2 3.72Å; R120-D123 PolarHBondContact N-OD2 3.41Å; R120-D123 IonicContact NE-OD1 3.7Å; R120-D123 PolarHBondContact NE-OD1 2.68Å; R120-D123 IonicContact NE-OD2 3.55Å; R120-D123 PolarHBondContact NE-OD2 3.29Å; R120-D123 IonicContact NH2-OD1 2.97Å; R120-D123 PolarHBondContact NH2-OD1 2.9Å; R120-D123 IonicContact NH2-OD2 2.72Å; R120-D123 WeakPolarHBondContact O-CB 3.07Å; R120-D123 PolarHBondContact O-N 3.33Å; R120-N124 PolarHBondContact O-N 3.09Å
121T77.3Confident87.8Confident81 Ų8168.1 Ų68.150%0.49734%0.335SS..Hα-helixtrans-46.1-52.6177.8-48.80000112.6D123 N124 Y125T121-D123 VanDerWaalsContact C-N 3.29Å; T121-D123 PolarHBondContact O-N 3.18Å; T121-N124 WeakPolarHBondContact O-CB 3.49Å; T121-N124 PolarHBondContact O-N 2.79Å; T121-N124 VanDerWaalsContact O-N 3.14Å; T121-Y125 HydrophobicContact CG2-CD2 3.9Å; T121-Y125 HydrophobicContact CG2-CE2 3.64Å; T121-Y125 WeakPolarHBondContact O-CD2 3.21Å; T121-Y125 PolarHBondContact O-N 3.38Å
122M77.7Confident87.6Confident81 Ų8169.6 Ų69.640%0.39934%0.343SS..Hα-helixtrans-66.3-23.9-179-63-52.8-64.600114.6R120 N124 G126 W319R120-M122 VanDerWaalsContact C-N 3.32Å; R120-M122 PolarHBondContact O-N 3.03Å; M122-N124 VanDerWaalsContact C-N 3.35Å; M122-G126 PolarHBondContact O-N 2.88Å; M122-W319 HydrophobicContact CE-CH2 3.75Å; M122-W319 HydrophobicContact CE-CZ2 3.66Å
123D82.6Confident87.3Confident30 Ų3070.6 Ų70.616%0.1635%0.348CS..Hα-helixtrans-70.2-36.8175.2-54.8-55.8000110.4I115 R117 R120 T121 L127I115-D123 HydrophobicContact CD1-CB 4.44Å; R117-D123 IonicContact CZ-OD1 2.7Å; R117-D123 IonicContact CZ-OD2 3.66Å; R117-D123 IonicContact NH1-OD1 3.91Å; R117-D123 IonicContact NH1-OD2 3.17Å; R117-D123 PolarHBondContact NH1-OD2 3.34Å; R117-D123 VanDerWaalsContact NH2-CG 3.27Å; R117-D123 IonicContact NH2-OD1 3.58Å; R117-D123 PolarHBondContact NH2-OD1 3.07Å; R117-D123 IonicContact NH2-OD2 3.12Å; R117-D123 PolarHBondContact NH2-OD2 3.15Å; R120-D123 WeakPolarHBondContact CA-OD2 3.29Å; R120-D123 WeakPolarHBondContact CB-OD2 3.38Å; R120-D123 WeakPolarHBondContact CG-OD2 3.48Å; R120-D123 IonicContact CZ-OD1 2.66Å; R120-D123 IonicContact CZ-OD2 3.72Å; R120-D123 PolarHBondContact N-OD2 3.41Å; R120-D123 IonicContact NE-OD1 3.7Å; R120-D123 PolarHBondContact NE-OD1 2.68Å; R120-D123 IonicContact NE-OD2 3.55Å; R120-D123 PolarHBondContact NE-OD2 3.29Å; R120-D123 IonicContact NH2-OD1 2.97Å; R120-D123 PolarHBondContact NH2-OD1 2.9Å; R120-D123 IonicContact NH2-OD2 2.72Å; R120-D123 WeakPolarHBondContact O-CB 3.07Å; R120-D123 PolarHBondContact O-N 3.33Å; T121-D123 VanDerWaalsContact C-N 3.29Å; T121-D123 PolarHBondContact O-N 3.18Å; D123-L127 VanDerWaalsContact O-CB 3.29Å; D123-L127 WeakPolarHBondContact O-CB 3.26Å; D123-L127 PolarHBondContact O-N 3.19Å; D123-L127 VanDerWaalsContact O-N 3.11Å
124N87.2Confident87.2Confident13 Ų1367 Ų677%0.0733%0.33CS..Hα-helixtrans-69.2-45.7176.2-61.6-24.3000111.7L108 P119 R120 T121 M122 L127 H128 L157 I161L108-N124 WeakPolarHBondContact CD2-ND2 3.43Å; P119-N124 WeakPolarHBondContact CB-OD1 3.37Å; R120-N124 PolarHBondContact O-N 3.09Å; T121-N124 WeakPolarHBondContact O-CB 3.49Å; T121-N124 PolarHBondContact O-N 2.79Å; T121-N124 VanDerWaalsContact O-N 3.14Å; M122-N124 VanDerWaalsContact C-N 3.35Å; N124-L127 PolarHBondContact O-N 3.17Å; N124-H128 WeakPolarHBondContact O-CB 3.26Å; N124-H128 PolarHBondContact O-N 3.46Å; N124-L157 HydrophobicContact CB-CD1 4.43Å; N124-I161 HydrophobicContact CB-CD1 3.93Å
125Y85.9Confident87.2Confident29 Ų2966.1 Ų66.111%0.11432%0.323CS..Hα-helixtrans-61.8-50.6177.3-81.8-85.1000111.3T121 L127 H128 D129 I161 K165T121-Y125 HydrophobicContact CG2-CD2 3.9Å; T121-Y125 HydrophobicContact CG2-CE2 3.64Å; T121-Y125 WeakPolarHBondContact O-CD2 3.21Å; T121-Y125 PolarHBondContact O-N 3.38Å; Y125-L127 VanDerWaalsContact C-N 3.28Å; Y125-L127 PolarHBondContact O-N 3.16Å; Y125-H128 WeakPolarHBondContact O-CB 3.25Å; Y125-H128 PolarHBondContact O-N 3.11Å; Y125-D129 PolarHBondContact O-N 3.4Å; Y125-I161 HydrophobicContact CD1-CD1 3.98Å; Y125-I161 HydrophobicContact CD1-CG2 3.95Å; Y125-I161 HydrophobicContact CD2-CD1 4.03Å; Y125-I161 HydrophobicContact CE1-CD1 4.2Å; Y125-I161 HydrophobicContact CE1-CG2 3.63Å; Y125-I161 HydrophobicContact CE2-CD1 4.22Å; Y125-I161 HydrophobicContact CG-CD1 3.89Å; Y125-K165 VanDerWaalsContact OH-CA 3.3Å; Y125-K165 WeakPolarHBondContact OH-CA 3.47Å; Y125-K165 WeakPolarHBondContact OH-CB 3.4Å; Y125-K165 PolarHBondContact OH-N 3.13Å
126G86.8Confident86.9Confident32 Ų3269.1 Ų69.133%0.3334%0.335SS..Hα-helixtrans-62.1-33.3179.500000113.7M122 A130M122-G126 PolarHBondContact O-N 2.88Å; G126-A130 WeakPolarHBondContact O-CB 3.46Å; G126-A130 PolarHBondContact O-N 2.85Å
127L91.2Very high86.6Confident32 Ų3265.2 Ų65.217%0.16832%0.32CS..Hα-helixtrans-68-41171.5179.160.9000111.8I111 D123 N124 Y125 L131 W147 F153 L157I111-L127 HydrophobicContact CD1-CD2 4.26Å; I111-L127 HydrophobicContact CG1-CD2 3.9Å; I111-L127 HydrophobicContact CG2-CD2 4.25Å; D123-L127 VanDerWaalsContact O-CB 3.29Å; D123-L127 WeakPolarHBondContact O-CB 3.26Å; D123-L127 PolarHBondContact O-N 3.19Å; D123-L127 VanDerWaalsContact O-N 3.11Å; N124-L127 PolarHBondContact O-N 3.17Å; Y125-L127 VanDerWaalsContact C-N 3.28Å; Y125-L127 PolarHBondContact O-N 3.16Å; L127-L131 HydrophobicContact CD1-CD1 3.95Å; L127-L131 HydrophobicContact CD1-CG 4.16Å; L127-L131 HydrophobicContact CG-CD1 4.01Å; L127-L131 WeakPolarHBondContact O-CB 3.41Å; L127-L131 VanDerWaalsContact O-CG 3.23Å; L127-L131 WeakPolarHBondContact O-CG 3.38Å; L127-L131 PolarHBondContact O-N 2.91Å; L127-W147 HydrophobicContact CD1-CH2 4Å; L127-W147 HydrophobicContact CD1-CZ3 4.19Å; L127-F153 HydrophobicContact CD2-CZ 4.23Å; L127-L157 HydrophobicContact CB-CD2 4.45Å; L127-L157 HydrophobicContact CD2-CD2 4.07Å; L127-L157 HydrophobicContact CG-CD2 3.9Å
128H92.6Very high85.8Confident19 Ų1962.9 Ų62.99%0.08833%0.33CS..Hα-helixtrans-66-48.2178.9-176.6-114.2000112.2N124 Y125 A130 L131 L132 Y154 L157 S158 I161N124-H128 WeakPolarHBondContact O-CB 3.26Å; N124-H128 PolarHBondContact O-N 3.46Å; Y125-H128 WeakPolarHBondContact O-CB 3.25Å; Y125-H128 PolarHBondContact O-N 3.11Å; H128-A130 VanDerWaalsContact C-N 3.31Å; H128-A130 PolarHBondContact O-N 2.87Å; H128-L131 PolarHBondContact O-N 3.2Å; H128-L132 VanDerWaalsContact O-CB 3.26Å; H128-L132 WeakPolarHBondContact O-CB 3.45Å; H128-L132 PolarHBondContact O-N 3.41Å; H128-Y154 AromaticContact CD2-CE2 3.97Å; H128-Y154 AromaticContact NE2-CE2 3.95Å; H128-L157 HydrophobicContact CB-CD1 4.38Å; H128-L157 HydrophobicContact CB-CD2 4.01Å; H128-L157 HydrophobicContact CB-CG 4.02Å; H128-S158 PolarHBondContact NE2-OG 3.45Å; H128-I161 HydrophobicContact CB-CD1 4.48Å; H128-I161 HydrophobicContact CB-CG1 3.78Å
129D89.2Confident85.5Confident81 Ų8158.8 Ų58.843%0.43333%0.325SS..Hα-helixtrans-59.7-39.8177.6-72.7-31.6000112.1Y125 S133Y125-D129 PolarHBondContact O-N 3.4Å; D129-S133 VanDerWaalsContact O-CB 3.31Å; D129-S133 WeakPolarHBondContact O-CB 3.44Å; D129-S133 PolarHBondContact O-N 2.87Å; D129-S133 PolarHBondContact O-OG 3.13Å
130A90.2Very high85.6Confident45 Ų4561.4 Ų61.437%0.37234%0.336SS..Hα-helixtrans-64.4-50.1174.900000111.2G126 H128 L132 S133 Y134G126-A130 WeakPolarHBondContact O-CB 3.46Å; G126-A130 PolarHBondContact O-N 2.85Å; H128-A130 VanDerWaalsContact C-N 3.31Å; H128-A130 PolarHBondContact O-N 2.87Å; A130-L132 PolarHBondContact O-N 3.24Å; A130-S133 WeakPolarHBondContact O-CB 3.48Å; A130-S133 PolarHBondContact O-N 3.41Å; A130-Y134 WeakPolarHBondContact O-CD2 3.35Å; A130-Y134 PolarHBondContact O-N 3.43Å
131L92.2Very high85.8Confident5 Ų557.8 Ų57.83%0.02632%0.324CS..Hα-helixtrans-64.2-42.8-179.9-68.3174.6000112.2L127 H128 S133 Y134 R135 L144 A148 F153 Y154 L157L127-L131 HydrophobicContact CD1-CD1 3.95Å; L127-L131 HydrophobicContact CD1-CG 4.16Å; L127-L131 HydrophobicContact CG-CD1 4.01Å; L127-L131 WeakPolarHBondContact O-CB 3.41Å; L127-L131 VanDerWaalsContact O-CG 3.23Å; L127-L131 WeakPolarHBondContact O-CG 3.38Å; L127-L131 PolarHBondContact O-N 2.91Å; H128-L131 PolarHBondContact O-N 3.2Å; L131-S133 VanDerWaalsContact C-N 3.27Å; L131-S133 PolarHBondContact O-N 3.26Å; L131-Y134 PolarHBondContact O-N 2.87Å; L131-R135 VanDerWaalsContact O-CB 3.22Å; L131-R135 WeakPolarHBondContact O-CB 3.5Å; L131-R135 WeakPolarHBondContact O-CD 3.41Å; L131-R135 WeakPolarHBondContact O-CG 3.36Å; L131-R135 PolarHBondContact O-N 2.98Å; L131-L144 HydrophobicContact CD2-CD1 3.96Å; L131-L144 HydrophobicContact CD2-CD2 3.78Å; L131-L144 HydrophobicContact CD2-CG 4.5Å; L131-A148 HydrophobicContact CD2-CB 3.54Å; L131-F153 HydrophobicContact CD1-CD1 4.39Å; L131-F153 HydrophobicContact CD1-CE1 3.9Å; L131-Y154 HydrophobicContact CB-CD2 3.93Å; L131-Y154 HydrophobicContact CB-CE2 4.11Å; L131-L157 HydrophobicContact CD1-CD2 3.92Å
132L89.7Confident86.2Confident33 Ų3357.8 Ų57.817%0.17333%0.327CS..Hα-helixtrans-52.9-47.8172.117669.6000110.4H128 A130 R135 H136 Y154 F233H128-L132 VanDerWaalsContact O-CB 3.26Å; H128-L132 WeakPolarHBondContact O-CB 3.45Å; H128-L132 PolarHBondContact O-N 3.41Å; A130-L132 PolarHBondContact O-N 3.24Å; L132-R135 PolarHBondContact O-N 2.85Å; L132-H136 VanDerWaalsContact CD1-CD2 3.47Å; L132-H136 WeakPolarHBondContact CD1-CD2 3.38Å; L132-H136 PolarHBondContact O-CD2 2.93Å; L132-H136 VanDerWaalsContact O-CD2 3.29Å; L132-H136 PolarHBondContact O-N 2.83Å; L132-Y154 WeakPolarHBondContact CD1-OH 3.4Å; L132-F233 HydrophobicContact CD2-CE2 3.89Å; L132-F233 HydrophobicContact CD2-CZ 4.18Å; L132-F233 HydrophobicContact CG-CE2 4.22Å
133S87.8Confident86.7Confident48 Ų4860.5 Ų60.534%0.33634%0.339SS..Hα-helixtrans-61.9-53.9179.9-60.30000111.9D129 A130 L131 R135 H136 H137D129-S133 VanDerWaalsContact O-CB 3.31Å; D129-S133 WeakPolarHBondContact O-CB 3.44Å; D129-S133 PolarHBondContact O-N 2.87Å; D129-S133 PolarHBondContact O-OG 3.13Å; A130-S133 WeakPolarHBondContact O-CB 3.48Å; A130-S133 PolarHBondContact O-N 3.41Å; L131-S133 VanDerWaalsContact C-N 3.27Å; L131-S133 PolarHBondContact O-N 3.26Å; S133-R135 PolarHBondContact O-N 2.98Å; S133-H136 PolarHBondContact O-N 3.2Å; S133-H137 PolarHBondContact O-N 2.97Å; S133-H137 VanDerWaalsContact O-N 3.11Å; S133-H137 PolarHBondContact O-ND1 2.92Å
134Y90.4Very high87Confident104 Ų10459.8 Ų59.841%0.40834%0.335SS..Hα-helixtrans-60.4-31.9177.3-86.5-101.8000113A130 L131 M140 K141 H143 L144A130-Y134 WeakPolarHBondContact O-CD2 3.35Å; A130-Y134 PolarHBondContact O-N 3.43Å; L131-Y134 PolarHBondContact O-N 2.87Å; Y134-M140 HydrophobicContact CD1-CB 4.07Å; Y134-M140 CarbonylContact O-C 3.57Å; Y134-K141 PolarHBondContact O-N 3.42Å; Y134-H143 HydrophobicContact CE1-CB 4.25Å; Y134-L144 HydrophobicContact CD1-CD2 3.76Å; Y134-L144 HydrophobicContact CD1-CG 4.03Å; Y134-L144 HydrophobicContact CD2-CD2 4.18Å; Y134-L144 HydrophobicContact CE1-CD2 4.41Å; Y134-L144 HydrophobicContact CG-CD2 3.63Å; Y134-L144 HydrophobicContact CG-CG 4.11Å
135R88.1Confident87.1Confident42 Ų4262 Ų6216%0.15835%0.35CS..Hα-helixtrans-76.1-26.2179-74.2163.1168.1-89.4-11.9113.7L131 L132 S133 K141 L144 A148 R149 S150 D151 Y154L131-R135 VanDerWaalsContact O-CB 3.22Å; L131-R135 WeakPolarHBondContact O-CB 3.5Å; L131-R135 WeakPolarHBondContact O-CD 3.41Å; L131-R135 WeakPolarHBondContact O-CG 3.36Å; L131-R135 PolarHBondContact O-N 2.98Å; L132-R135 PolarHBondContact O-N 2.85Å; S133-R135 PolarHBondContact O-N 2.98Å; R135-K141 HydrophobicContact CG-CG 4.45Å; R135-L144 HydrophobicContact CG-CD1 4.27Å; R135-A148 PolarHBondContact NH2-O 2.97Å; R135-R149 VanDerWaalsContact NH2-C 3.34Å; R135-R149 PolarHBondContact NH2-O 3.09Å; R135-R149 VanDerWaalsContact NH2-O 3.07Å; R135-S150 PolarHBondContact NH2-O 2.94Å; R135-D151 IonicContact CZ-OD1 3.68Å; R135-D151 IonicContact NH1-OD1 2.74Å; R135-D151 PolarHBondContact NH1-OD1 2.81Å; R135-D151 IonicContact NH2-OD1 3.78Å; R135-D151 PolarHBondContact NH2-OD1 3.08Å; R135-Y154 VanDerWaalsContact CD-CD2 3.44Å; R135-Y154 VanDerWaalsContact CZ-CG 3.49Å
136H83.7Confident87.3Confident118 Ų11866.2 Ų66.255%0.54638%0.375SS..Hα-helixtrans-90.2-22.4175.2-80.1-64.4000114.2L132 S133 G138L132-H136 VanDerWaalsContact CD1-CD2 3.47Å; L132-H136 WeakPolarHBondContact CD1-CD2 3.38Å; L132-H136 PolarHBondContact O-CD2 2.93Å; L132-H136 VanDerWaalsContact O-CD2 3.29Å; L132-H136 PolarHBondContact O-N 2.83Å; S133-H136 PolarHBondContact O-N 3.2Å; H136-G138 PolarHBondContact O-N 3.28Å
137H84.3Confident87.4Confident117 Ų11769.4 Ų69.454%0.54238%0.377SS..SBendtrans-80.850.6177.8-71.979.9000113.4S133 S139 M140S133-H137 PolarHBondContact O-N 2.97Å; S133-H137 VanDerWaalsContact O-N 3.11Å; S133-H137 PolarHBondContact O-ND1 2.92Å; H137-S139 PolarHBondContact O-N 3.06Å; H137-S139 VanDerWaalsContact O-N 3.11Å; H137-M140 HydrophobicContact CB-CB 4.05Å; H137-M140 HydrophobicContact CB-CE 4.29Å; H137-M140 HydrophobicContact CB-CG 3.91Å; H137-M140 HydrophobicContact CB-SD 3.51Å; H137-M140 VanDerWaalsContact CB-SD 3.51Å; H137-M140 WeakPolarHBondContact O-CB 3.36Å; H137-M140 WeakPolarHBondContact O-CG 3.43Å; H137-M140 PolarHBondContact O-N 3.4Å
138G73Confident87.3Confident61 Ų6168 Ų6863%0.62937%0.369SS*.G310 helixtrans55.8-112.417000000114.1H136 M140H136-G138 PolarHBondContact O-N 3.28Å; G138-M140 PolarHBondContact O-N 3.25Å
139S79.4Confident87.2Confident97 Ų9771.5 Ų71.568%0.67838%0.382SS*.G310 helixtrans-66.2-18.6-179.650.80000113.9H137 K141 S142H137-S139 PolarHBondContact O-N 3.06Å; H137-S139 VanDerWaalsContact O-N 3.11Å; S139-K141 PolarHBondContact O-N 2.91Å; S139-S142 PolarHBondContact O-N 2.99Å; S139-S142 PolarHBondContact O-OG 2.9Å
140M86.5Confident87.3Confident79 Ų7969.7 Ų69.739%0.38938%0.376SS..G310 helixtrans-59.4-17.2-175.5-68.1-168.6-173.100114.5Y134 H137 G138 S142 H143Y134-M140 HydrophobicContact CD1-CB 4.07Å; Y134-M140 CarbonylContact O-C 3.57Å; H137-M140 HydrophobicContact CB-CB 4.05Å; H137-M140 HydrophobicContact CB-CE 4.29Å; H137-M140 HydrophobicContact CB-CG 3.91Å; H137-M140 HydrophobicContact CB-SD 3.51Å; H137-M140 VanDerWaalsContact CB-SD 3.51Å; H137-M140 WeakPolarHBondContact O-CB 3.36Å; H137-M140 WeakPolarHBondContact O-CG 3.43Å; H137-M140 PolarHBondContact O-N 3.4Å; G138-M140 PolarHBondContact O-N 3.25Å; M140-S142 PolarHBondContact O-N 3.45Å; M140-S142 VanDerWaalsContact O-N 3.14Å; M140-H143 PolarHBondContact O-N 3.14Å
141K85.4Confident87.4Confident67 Ų6771.1 Ų71.129%0.29138%0.377SS..G310 helixtrans-56.1-26.2169.2-167-177.9-177.8-174.80112.2Y134 R135 S139 R149 D151Y134-K141 PolarHBondContact O-N 3.42Å; R135-K141 HydrophobicContact CG-CG 4.45Å; S139-K141 PolarHBondContact O-N 2.91Å; K141-R149 WeakPolarHBondContact CE-O 3.31Å; K141-R149 VanDerWaalsContact O-CD 3.23Å; K141-R149 WeakPolarHBondContact O-CD 3.39Å; K141-R149 VanDerWaalsContact O-CG 3.27Å; K141-R149 WeakPolarHBondContact O-CG 3.4Å; K141-D151 WeakPolarHBondContact CE-OD1 3.37Å; K141-D151 IonicContact NZ-OD1 2.71Å; K141-D151 PolarHBondContact NZ-OD1 3.29Å; K141-D151 IonicContact NZ-OD2 3.64Å; K141-D151 PolarHBondContact NZ-OD2 2.88Å
142S86.4Confident87.5Confident81 Ų8177.1 Ų77.157%0.56641%0.409SS*.G310 helixtrans-72-25.8175.768.40000113.9S139 M140 L144S139-S142 PolarHBondContact O-N 2.99Å; S139-S142 PolarHBondContact O-OG 2.9Å; M140-S142 PolarHBondContact O-N 3.45Å; M140-S142 VanDerWaalsContact O-N 3.14Å; S142-L144 VanDerWaalsContact C-N 3.26Å; S142-L144 PolarHBondContact O-N 3.02Å
143H88Confident87.7Confident137 Ų13776 Ų7663%0.63440%0.403SS*.G310 helixtrans-80.6-7179.6-58.4170.4000112.8Y134 M140Y134-H143 HydrophobicContact CE1-CB 4.25Å; M140-H143 PolarHBondContact O-N 3.14Å
144L89.2Confident88Confident15 Ų1575.2 Ų75.28%0.07939%0.393CS..SBendtrans-76.1141.7174.4-71.3178.2000111L131 Y134 R135 S142 A148 R149L131-L144 HydrophobicContact CD2-CD1 3.96Å; L131-L144 HydrophobicContact CD2-CD2 3.78Å; L131-L144 HydrophobicContact CD2-CG 4.5Å; Y134-L144 HydrophobicContact CD1-CD2 3.76Å; Y134-L144 HydrophobicContact CD1-CG 4.03Å; Y134-L144 HydrophobicContact CD2-CD2 4.18Å; Y134-L144 HydrophobicContact CE1-CD2 4.41Å; Y134-L144 HydrophobicContact CG-CD2 3.63Å; Y134-L144 HydrophobicContact CG-CG 4.11Å; R135-L144 HydrophobicContact CG-CD1 4.27Å; S142-L144 VanDerWaalsContact C-N 3.26Å; S142-L144 PolarHBondContact O-N 3.02Å; L144-A148 HydrophobicContact CB-CB 3.91Å; L144-A148 HydrophobicContact CD1-CB 4.4Å; L144-A148 HydrophobicContact CD2-CB 4.21Å; L144-A148 HydrophobicContact CG-CB 4.4Å; L144-R149 HydrophobicContact CB-CG 3.66Å; L144-R149 VanDerWaalsContact O-CD 3.26Å; L144-R149 WeakPolarHBondContact O-CD 3.42Å; L144-R149 WeakPolarHBondContact O-CG 3.23Å; L144-R149 PolarHBondContact O-NE 3.18Å
145P90Very high88.2Confident61 Ų6174.7 Ų74.740%0.39640%0.397SS..  trans-54.3155.5167-26.935.4000112.8W147 A148 R149P145-W147 VanDerWaalsContact C-N 3.31Å; P145-W147 HydrophobicContact CB-CG 4.47Å; P145-W147 HydrophobicContact CB-CZ2 4.47Å; P145-W147 HydrophobicContact CG-CZ2 4.38Å; P145-W147 PolarHBondContact O-N 3.39Å; P145-A148 HydrophobicContact CB-CB 4.48Å; P145-A148 CarbonylContact O-C 3.47Å; P145-A148 WeakPolarHBondContact O-CA 3.27Å; P145-A148 WeakPolarHBondContact O-CB 3.25Å; P145-A148 PolarHBondContact O-N 2.82Å; P145-R149 PolarHBondContact O-N 3.32Å
146D89.7Confident88.6Confident117 Ų11774.5 Ų74.563%0.62640%0.404SS*.Hα-helixtrans-52.1-43.6-175-69.655.9000113.9A148 R149 S150D146-A148 VanDerWaalsContact C-N 3.32Å; D146-A148 PolarHBondContact O-N 3.49Å; D146-R149 PolarHBondContact O-N 3.45Å; D146-R149 IonicContact OD1-CZ 3.78Å; D146-R149 IonicContact OD1-NH2 3.1Å; D146-R149 PolarHBondContact OD1-NH2 3Å; D146-R149 IonicContact OD2-CZ 2.69Å; D146-R149 IonicContact OD2-NH2 2.66Å; D146-R149 PolarHBondContact OD2-NH2 3.2Å; D146-S150 PolarHBondContact O-N 3.19Å
147W89.1Confident89.1Confident99 Ų9968.9 Ų68.938%0.37538%0.378SS..Hα-helixtrans-63.5-36.4175.562-98.7000112.7I114 L127 P145 S150 F153I114-W147 HydrophobicContact CD1-CD2 3.7Å; I114-W147 HydrophobicContact CD1-CE3 3.45Å; I114-W147 VanDerWaalsContact CD1-CE3 3.45Å; I114-W147 HydrophobicContact CD1-CG 4.34Å; I114-W147 HydrophobicContact CD1-CH2 4.21Å; I114-W147 HydrophobicContact CD1-CZ2 4.4Å; I114-W147 HydrophobicContact CD1-CZ3 3.74Å; I114-W147 HydrophobicContact CG1-CD2 4.24Å; I114-W147 HydrophobicContact CG1-CE3 4.43Å; I114-W147 HydrophobicContact CG2-CH2 3.93Å; I114-W147 HydrophobicContact CG2-CZ2 3.72Å; L127-W147 HydrophobicContact CD1-CH2 4Å; L127-W147 HydrophobicContact CD1-CZ3 4.19Å; P145-W147 VanDerWaalsContact C-N 3.31Å; P145-W147 HydrophobicContact CB-CG 4.47Å; P145-W147 HydrophobicContact CB-CZ2 4.47Å; P145-W147 HydrophobicContact CG-CZ2 4.38Å; P145-W147 PolarHBondContact O-N 3.39Å; W147-S150 WeakPolarHBondContact O-CB 3.19Å; W147-S150 PolarHBondContact O-N 3.41Å; W147-F153 HydrophobicContact CE3-CD1 4.26Å; W147-F153 AromaticContact CE3-CE1 3.85Å; W147-F153 HydrophobicContact CE3-CE1 3.85Å; W147-F153 HydrophobicContact CE3-CZ 4.17Å; W147-F153 AromaticContact CZ3-CE1 3.78Å; W147-F153 HydrophobicContact CZ3-CE1 3.78Å; W147-F153 HydrophobicContact CZ3-CZ 4.14Å
148A89.2Confident89.6Confident1 Ų164.6 Ų64.61%0.00836%0.361CS..Hα-helixtrans-76.8-24.6178.700000112.6L131 R135 L144 P145 D146L131-A148 HydrophobicContact CD2-CB 3.54Å; R135-A148 PolarHBondContact NH2-O 2.97Å; L144-A148 HydrophobicContact CB-CB 3.91Å; L144-A148 HydrophobicContact CD1-CB 4.4Å; L144-A148 HydrophobicContact CD2-CB 4.21Å; L144-A148 HydrophobicContact CG-CB 4.4Å; P145-A148 HydrophobicContact CB-CB 4.48Å; P145-A148 CarbonylContact O-C 3.47Å; P145-A148 WeakPolarHBondContact O-CA 3.27Å; P145-A148 WeakPolarHBondContact O-CB 3.25Å; P145-A148 PolarHBondContact O-N 2.82Å; D146-A148 VanDerWaalsContact C-N 3.32Å; D146-A148 PolarHBondContact O-N 3.49Å
149R89.8Confident90.6Very high93 Ų9367 Ų6735%0.35136%0.355SS..Hα-helixtrans-74.6-23.3173.5-71.3-170.3-76.4111.7-10.3113.3R135 K141 L144 P145 D146 D151R135-R149 VanDerWaalsContact NH2-C 3.34Å; R135-R149 PolarHBondContact NH2-O 3.09Å; R135-R149 VanDerWaalsContact NH2-O 3.07Å; K141-R149 WeakPolarHBondContact CE-O 3.31Å; K141-R149 VanDerWaalsContact O-CD 3.23Å; K141-R149 WeakPolarHBondContact O-CD 3.39Å; K141-R149 VanDerWaalsContact O-CG 3.27Å; K141-R149 WeakPolarHBondContact O-CG 3.4Å; L144-R149 HydrophobicContact CB-CG 3.66Å; L144-R149 VanDerWaalsContact O-CD 3.26Å; L144-R149 WeakPolarHBondContact O-CD 3.42Å; L144-R149 WeakPolarHBondContact O-CG 3.23Å; L144-R149 PolarHBondContact O-NE 3.18Å; P145-R149 PolarHBondContact O-N 3.32Å; D146-R149 PolarHBondContact O-N 3.45Å; D146-R149 IonicContact OD1-CZ 3.78Å; D146-R149 IonicContact OD1-NH2 3.1Å; D146-R149 PolarHBondContact OD1-NH2 3Å; D146-R149 IonicContact OD2-CZ 2.69Å; D146-R149 IonicContact OD2-NH2 2.66Å; D146-R149 PolarHBondContact OD2-NH2 3.2Å; R149-D151 PolarHBondContact O-N 3.38Å
150S92Very high91.3Very high44 Ų4462.7 Ų62.731%0.30832%0.324SS..  trans-56.5125.1174.8176.40000111.7R135 D146 W147 D152 F153 Y154R135-S150 PolarHBondContact NH2-O 2.94Å; D146-S150 PolarHBondContact O-N 3.19Å; W147-S150 WeakPolarHBondContact O-CB 3.19Å; W147-S150 PolarHBondContact O-N 3.41Å; S150-D152 PolarHBondContact OG-N 3.43Å; S150-F153 PolarHBondContact OG-N 2.99Å; S150-Y154 PolarHBondContact O-N 3.32Å
151D92.5Very high91.6Very high74 Ų7459.1 Ų59.140%0.39631%0.306SS..Hα-helixtrans-75.4-30177.1-69.2-28.8000111.5R135 K141 R149 Y154 N155R135-D151 IonicContact CZ-OD1 3.68Å; R135-D151 IonicContact NH1-OD1 2.74Å; R135-D151 PolarHBondContact NH1-OD1 2.81Å; R135-D151 IonicContact NH2-OD1 3.78Å; R135-D151 PolarHBondContact NH2-OD1 3.08Å; K141-D151 WeakPolarHBondContact CE-OD1 3.37Å; K141-D151 IonicContact NZ-OD1 2.71Å; K141-D151 PolarHBondContact NZ-OD1 3.29Å; K141-D151 IonicContact NZ-OD2 3.64Å; K141-D151 PolarHBondContact NZ-OD2 2.88Å; R149-D151 PolarHBondContact O-N 3.38Å; D151-Y154 PolarHBondContact O-N 2.88Å; D151-N155 VanDerWaalsContact O-CB 3.28Å; D151-N155 WeakPolarHBondContact O-CB 3.44Å; D151-N155 PolarHBondContact O-N 3.2Å; D151-N155 PolarHBondContact O-ND2 2.91Å
152D94.1Very high91.9Very high131 Ų13156.9 Ų56.970%0.70130%0.299SS*.Hα-helixtrans-66-44.4174.9-62.2-41.3000112.1S150 Y154 N155 A156S150-D152 PolarHBondContact OG-N 3.43Å; D152-Y154 VanDerWaalsContact C-N 3.34Å; D152-Y154 PolarHBondContact O-N 3.18Å; D152-N155 PolarHBondContact O-N 3Å; D152-A156 WeakPolarHBondContact O-CB 3Å; D152-A156 PolarHBondContact O-N 2.98Å
153F94.1Very high92.2Very high9 Ų954.1 Ų54.14%0.03928%0.277CS..Hα-helixtrans-60.4-45.5175177-96.8000111.2V107 Q110 I111 I114 L127 L131 W147 S150 A156 L157V107-F153 HydrophobicContact CG2-CD2 4.25Å; V107-F153 HydrophobicContact CG2-CE2 3.93Å; Q110-F153 HydrophobicContact CB-CD2 4.41Å; Q110-F153 HydrophobicContact CB-CE2 3.96Å; I111-F153 HydrophobicContact CG1-CE2 4.21Å; I111-F153 HydrophobicContact CG1-CZ 3.94Å; I114-F153 HydrophobicContact CD1-CE2 4.31Å; I114-F153 HydrophobicContact CD1-CZ 4.13Å; L127-F153 HydrophobicContact CD2-CZ 4.23Å; L131-F153 HydrophobicContact CD1-CD1 4.39Å; L131-F153 HydrophobicContact CD1-CE1 3.9Å; W147-F153 HydrophobicContact CE3-CD1 4.26Å; W147-F153 AromaticContact CE3-CE1 3.85Å; W147-F153 HydrophobicContact CE3-CE1 3.85Å; W147-F153 HydrophobicContact CE3-CZ 4.17Å; W147-F153 AromaticContact CZ3-CE1 3.78Å; W147-F153 HydrophobicContact CZ3-CE1 3.78Å; W147-F153 HydrophobicContact CZ3-CZ 4.14Å; S150-F153 PolarHBondContact OG-N 2.99Å; F153-A156 PolarHBondContact O-N 2.86Å; F153-L157 HydrophobicContact CE1-CD2 4.32Å; F153-L157 WeakPolarHBondContact O-CB 3.03Å; F153-L157 PolarHBondContact O-N 2.81Å
154Y93.9Very high92.2Very high33 Ų3348.9 Ų48.913%0.12926%0.256CS..Hα-helixtrans-65.8-38.3178.4176.7-99.7000112.8H128 L131 L132 R135 S150 D151 D152 S158H128-Y154 AromaticContact CD2-CE2 3.97Å; H128-Y154 AromaticContact NE2-CE2 3.95Å; L131-Y154 HydrophobicContact CB-CD2 3.93Å; L131-Y154 HydrophobicContact CB-CE2 4.11Å; L132-Y154 WeakPolarHBondContact CD1-OH 3.4Å; R135-Y154 VanDerWaalsContact CD-CD2 3.44Å; R135-Y154 VanDerWaalsContact CZ-CG 3.49Å; S150-Y154 PolarHBondContact O-N 3.32Å; D151-Y154 PolarHBondContact O-N 2.88Å; D152-Y154 VanDerWaalsContact C-N 3.34Å; D152-Y154 PolarHBondContact O-N 3.18Å; Y154-S158 VanDerWaalsContact O-CB 3.27Å; Y154-S158 WeakPolarHBondContact O-CB 3.42Å; Y154-S158 PolarHBondContact O-N 3.14Å; Y154-S158 PolarHBondContact O-OG 3.3Å
155N94.8Very high92.2Very high93 Ų9348.7 Ų48.750%0.49725%0.254SS..Hα-helixtrans-67.4-42175.9-71.5-26.7000111.4D151 D152 S158 K159D151-N155 VanDerWaalsContact O-CB 3.28Å; D151-N155 WeakPolarHBondContact O-CB 3.44Å; D151-N155 PolarHBondContact O-N 3.2Å; D151-N155 PolarHBondContact O-ND2 2.91Å; D152-N155 PolarHBondContact O-N 3Å; N155-S158 PolarHBondContact O-N 2.96Å; N155-K159 WeakPolarHBondContact O-CB 3.38Å; N155-K159 PolarHBondContact O-N 2.77Å
156A95.3Very high92.2Very high37 Ų3746.3 Ų46.331%0.30624%0.239SC..Hα-helixtrans-62.7-46.9175.100000111.7V107 D152 F153 K159 L160V107-A156 HydrophobicContact CB-CB 4.07Å; V107-A156 HydrophobicContact CG1-CB 4.4Å; V107-A156 HydrophobicContact CG2-CB 4.15Å; D152-A156 WeakPolarHBondContact O-CB 3Å; D152-A156 PolarHBondContact O-N 2.98Å; F153-A156 PolarHBondContact O-N 2.86Å; A156-K159 PolarHBondContact O-N 2.63Å; A156-L160 PolarHBondContact O-N 2.92Å
157L95Very high92.1Very high0 Ų041.8 Ų41.80%022%0.218CC..Hα-helixtrans-62.5-45.2175174.557.5000111.7V107 I111 N124 L127 H128 L131 F153 K159 L160 I161V107-L157 HydrophobicContact CG2-CB 4.26Å; I111-L157 HydrophobicContact CD1-CD1 3.99Å; N124-L157 HydrophobicContact CB-CD1 4.43Å; L127-L157 HydrophobicContact CB-CD2 4.45Å; L127-L157 HydrophobicContact CD2-CD2 4.07Å; L127-L157 HydrophobicContact CG-CD2 3.9Å; H128-L157 HydrophobicContact CB-CD1 4.38Å; H128-L157 HydrophobicContact CB-CD2 4.01Å; H128-L157 HydrophobicContact CB-CG 4.02Å; L131-L157 HydrophobicContact CD1-CD2 3.92Å; F153-L157 HydrophobicContact CE1-CD2 4.32Å; F153-L157 WeakPolarHBondContact O-CB 3.03Å; F153-L157 PolarHBondContact O-N 2.81Å; L157-K159 PolarHBondContact O-N 3.17Å; L157-L160 HydrophobicContact CD1-CD2 4.19Å; L157-L160 WeakPolarHBondContact O-CB 3.46Å; L157-L160 PolarHBondContact O-N 3.28Å; L157-I161 HydrophobicContact CD1-CD1 4.4Å; L157-I161 HydrophobicContact CD1-CG1 4Å; L157-I161 WeakPolarHBondContact O-CG1 3.46Å; L157-I161 PolarHBondContact O-N 3Å
158S94.5Very high91.8Very high27 Ų2738.5 Ų38.519%0.18921%0.205CC..Hα-helixtrans-58.1-37.4177.3-60.90000112H128 Y154 N155 I161 S162H128-S158 PolarHBondContact NE2-OG 3.45Å; Y154-S158 VanDerWaalsContact O-CB 3.27Å; Y154-S158 WeakPolarHBondContact O-CB 3.42Å; Y154-S158 PolarHBondContact O-N 3.14Å; Y154-S158 PolarHBondContact O-OG 3.3Å; N155-S158 PolarHBondContact O-N 2.96Å; S158-I161 PolarHBondContact O-N 3.04Å; S158-S162 PolarHBondContact O-N 3.21Å; S158-S162 PolarHBondContact O-OG 3.24Å
159K94.7Very high91.6Very high113 Ų11338.6 Ų38.649%0.49121%0.206SC..Hα-helixtrans-74.4-39.1177.2-167.2178.7179.7171.70112.9N155 A156 L157 I161 E163N155-K159 WeakPolarHBondContact O-CB 3.38Å; N155-K159 PolarHBondContact O-N 2.77Å; A156-K159 PolarHBondContact O-N 2.63Å; L157-K159 PolarHBondContact O-N 3.17Å; K159-I161 VanDerWaalsContact C-N 3.28Å; K159-I161 PolarHBondContact O-N 2.78Å; K159-E163 WeakPolarHBondContact CE-OE1 3.47Å; K159-E163 HydrophobicContact CG-CG 4.35Å; K159-E163 VanDerWaalsContact O-CB 3.31Å; K159-E163 WeakPolarHBondContact O-CB 3.26Å; K159-E163 VanDerWaalsContact O-CG 3.3Å; K159-E163 WeakPolarHBondContact O-CG 3.44Å; K159-E163 PolarHBondContact O-N 2.72Å; K159-E163 VanDerWaalsContact O-N 3.07Å
160L93.9Very high91.3Very high6 Ų636.8 Ų36.83%0.03120%0.202CC..Hα-helixtrans-55.9-46.1169.1163.763.9000110.2H104 V107 L108 I111 A156 L157 S164H104-L160 HydrophobicContact CB-CB 4.17Å; H104-L160 HydrophobicContact CB-CD1 3.76Å; H104-L160 HydrophobicContact CB-CG 4.39Å; V107-L160 HydrophobicContact CG1-CB 4.33Å; V107-L160 HydrophobicContact CG1-CD2 4.11Å; L108-L160 HydrophobicContact CD2-CD1 4.48Å; L108-L160 HydrophobicContact CD2-CD2 3.67Å; L108-L160 HydrophobicContact CG-CD2 4.07Å; I111-L160 HydrophobicContact CD1-CD2 4.49Å; A156-L160 PolarHBondContact O-N 2.92Å; L157-L160 HydrophobicContact CD1-CD2 4.19Å; L157-L160 WeakPolarHBondContact O-CB 3.46Å; L157-L160 PolarHBondContact O-N 3.28Å; L160-S164 WeakPolarHBondContact O-CB 3.45Å; L160-S164 PolarHBondContact O-N 3.48Å; L160-S164 PolarHBondContact O-OG 2.82Å
161I92.5Very high90.8Very high4 Ų434.8 Ų34.82%0.02119%0.188CC..Hα-helixtrans-65.4-55.3179.5-68.2-55.3000111.7N124 Y125 H128 L157 S158 K159 E163 S164 K165N124-I161 HydrophobicContact CB-CD1 3.93Å; Y125-I161 HydrophobicContact CD1-CD1 3.98Å; Y125-I161 HydrophobicContact CD1-CG2 3.95Å; Y125-I161 HydrophobicContact CD2-CD1 4.03Å; Y125-I161 HydrophobicContact CE1-CD1 4.2Å; Y125-I161 HydrophobicContact CE1-CG2 3.63Å; Y125-I161 HydrophobicContact CE2-CD1 4.22Å; Y125-I161 HydrophobicContact CG-CD1 3.89Å; H128-I161 HydrophobicContact CB-CD1 4.48Å; H128-I161 HydrophobicContact CB-CG1 3.78Å; L157-I161 HydrophobicContact CD1-CD1 4.4Å; L157-I161 HydrophobicContact CD1-CG1 4Å; L157-I161 WeakPolarHBondContact O-CG1 3.46Å; L157-I161 PolarHBondContact O-N 3Å; S158-I161 PolarHBondContact O-N 3.04Å; K159-I161 VanDerWaalsContact C-N 3.28Å; K159-I161 PolarHBondContact O-N 2.78Å; I161-E163 VanDerWaalsContact C-N 3.32Å; I161-E163 PolarHBondContact O-N 3.48Å; I161-S164 PolarHBondContact O-N 3.08Å; I161-K165 WeakPolarHBondContact O-CB 3.45Å; I161-K165 PolarHBondContact O-N 3.2Å
162S92.4Very high90.1Very high20 Ų2038 Ų3814%0.1420%0.201CC..Hα-helixtrans-63.4-36.2-175.966.30000112.8S158 T166S158-S162 PolarHBondContact O-N 3.21Å; S158-S162 PolarHBondContact O-OG 3.24Å; S162-T166 WeakPolarHBondContact O-CB 3.3Å; S162-T166 PolarHBondContact O-N 3.35Å; S162-T166 PolarHBondContact O-OG1 2.88Å
163E91.3Very high89Confident23 Ų2336.2 Ų36.211%0.10719%0.188CC..Hα-helixtrans-71.6-41.1174.5-67.6-176-173.900112.7L100 K103 H104 K159 I161 T166 A167 A227L100-E163 HydrophobicContact CD2-CB 4.11Å; K103-E163 WeakPolarHBondContact CD-OE2 3.41Å; K103-E163 WeakPolarHBondContact CE-OE1 3.27Å; K103-E163 WeakPolarHBondContact CE-OE2 3.36Å; K103-E163 IonicContact NZ-OE1 3.2Å; K103-E163 PolarHBondContact NZ-OE1 3.34Å; K103-E163 IonicContact NZ-OE2 2.65Å; K103-E163 PolarHBondContact NZ-OE2 2.75Å; H104-E163 IonicContact CD2-OE2 2.77Å; H104-E163 IonicContact CE1-OE2 3.47Å; H104-E163 IonicContact NE2-OE2 3.83Å; H104-E163 PolarHBondContact NE2-OE2 2.7Å; K159-E163 WeakPolarHBondContact CE-OE1 3.47Å; K159-E163 HydrophobicContact CG-CG 4.35Å; K159-E163 VanDerWaalsContact O-CB 3.31Å; K159-E163 WeakPolarHBondContact O-CB 3.26Å; K159-E163 VanDerWaalsContact O-CG 3.3Å; K159-E163 WeakPolarHBondContact O-CG 3.44Å; K159-E163 PolarHBondContact O-N 2.72Å; K159-E163 VanDerWaalsContact O-N 3.07Å; I161-E163 VanDerWaalsContact C-N 3.32Å; I161-E163 PolarHBondContact O-N 3.48Å; E163-T166 PolarHBondContact O-N 3.13Å; E163-A167 PolarHBondContact O-N 2.79Å; E163-A227 HydrophobicContact CG-CB 4.38Å
164S88.5Confident88.2Confident27 Ų2736 Ų3619%0.18919%0.187CC..Hα-helixtrans-63.2-44.4175.2-61.10000111.4L160 I161 T166 A167 Y168L160-S164 WeakPolarHBondContact O-CB 3.45Å; L160-S164 PolarHBondContact O-N 3.48Å; L160-S164 PolarHBondContact O-OG 2.82Å; I161-S164 PolarHBondContact O-N 3.08Å; S164-T166 VanDerWaalsContact C-N 3.31Å; S164-T166 PolarHBondContact O-N 3.3Å; S164-A167 PolarHBondContact O-N 2.64Å; S164-Y168 VanDerWaalsContact O-CB 3.28Å; S164-Y168 WeakPolarHBondContact O-CB 3.45Å; S164-Y168 PolarHBondContact O-N 3.45Å
165K88.1Confident87.4Confident10 Ų1037 Ų374%0.04319%0.193CC..Hα-helixtrans-58.7-43.6174.6-156.3-177.6-157178.90110.6Y125 I161 Y168 V169 D212 F213 I216 D230Y125-K165 VanDerWaalsContact OH-CA 3.3Å; Y125-K165 WeakPolarHBondContact OH-CA 3.47Å; Y125-K165 WeakPolarHBondContact OH-CB 3.4Å; Y125-K165 PolarHBondContact OH-N 3.13Å; I161-K165 WeakPolarHBondContact O-CB 3.45Å; I161-K165 PolarHBondContact O-N 3.2Å; K165-Y168 PolarHBondContact O-N 3.42Å; K165-V169 WeakPolarHBondContact O-CG1 3.35Å; K165-V169 WeakPolarHBondContact O-CG2 3.41Å; K165-V169 PolarHBondContact O-N 3.21Å; K165-D212 WeakPolarHBondContact CE-OD2 3.36Å; K165-D212 IonicContact NZ-OD2 2.7Å; K165-D212 PolarHBondContact NZ-OD2 3.46Å; K165-F213 HydrophobicContact CD-CZ 4.45Å; K165-F213 HydrophobicContact CG-CE1 4.04Å; K165-F213 HydrophobicContact CG-CZ 3.87Å; K165-I216 HydrophobicContact CD-CD1 3.83Å; K165-I216 VanDerWaalsContact CE-CD1 3.48Å; K165-I216 HydrophobicContact CG-CD1 4.29Å; K165-D230 VanDerWaalsContact CD-OD1 3.3Å; K165-D230 WeakPolarHBondContact CD-OD1 3.17Å; K165-D230 WeakPolarHBondContact CE-OD1 3.42Å; K165-D230 VanDerWaalsContact NZ-CG 3.28Å; K165-D230 IonicContact NZ-OD1 3.67Å; K165-D230 PolarHBondContact NZ-OD1 3.34Å; K165-D230 IonicContact NZ-OD2 2.87Å; K165-D230 PolarHBondContact NZ-OD2 3.27Å; K165-D230 VanDerWaalsContact NZ-OD2 3.08Å
166T90.3Very high86.3Confident12 Ų1234.3 Ų34.37%0.07418%0.179CC..Hα-helixtrans-63.8-46.9176.8-59.30000112.3S162 E163 S164 Y168 M170 Y225 A227S162-T166 WeakPolarHBondContact O-CB 3.3Å; S162-T166 PolarHBondContact O-N 3.35Å; S162-T166 PolarHBondContact O-OG1 2.88Å; E163-T166 PolarHBondContact O-N 3.13Å; S164-T166 VanDerWaalsContact C-N 3.31Å; S164-T166 PolarHBondContact O-N 3.3Å; T166-Y168 VanDerWaalsContact C-N 3.27Å; T166-Y168 PolarHBondContact O-N 3.23Å; T166-M170 HydrophobicContact CG2-CG 4.31Å; T166-M170 WeakPolarHBondContact O-CB 3.19Å; T166-M170 WeakPolarHBondContact O-CG 3.17Å; T166-M170 PolarHBondContact O-N 3.4Å; T166-M170 VanDerWaalsContact O-N 3.08Å; T166-Y225 HydrophobicContact CG2-CD1 4.36Å; T166-Y225 HydrophobicContact CG2-CE1 4.23Å; T166-Y225 WeakPolarHBondContact OG1-CE1 3.11Å; T166-A227 VanDerWaalsContact OG1-CA 3.26Å; T166-A227 WeakPolarHBondContact OG1-CA 3.34Å; T166-A227 WeakPolarHBondContact OG1-CB 3.44Å; T166-A227 PolarHBondContact OG1-N 2.76Å
167A87.5Confident85.1Confident21 Ų2132.6 Ų32.617%0.17416%0.164CC..Hα-helixtrans-63.9-35.2176.600000112.2I94 L100 E163 S164 C171I94-A167 HydrophobicContact CG2-CB 3.65Å; L100-A167 HydrophobicContact CD1-CB 3.45Å; L100-A167 VanDerWaalsContact CD1-CB 3.45Å; E163-A167 PolarHBondContact O-N 2.79Å; S164-A167 PolarHBondContact O-N 2.64Å; A167-C171 PolarHBondContact O-N 3.45Å
168Y83.8Confident84.2Confident30 Ų3032.8 Ų32.812%0.11817%0.165CC..Hα-helixtrans-67.9-52.4176.7-171.9-112.6000112.7V89 V92 I94 S164 K165 T166 M170 C171 Y174 F213V89-Y168 WeakPolarHBondContact CB-OH 3.09Å; V89-Y168 WeakPolarHBondContact CG1-OH 3.31Å; V89-Y168 WeakPolarHBondContact CG2-OH 3.38Å; V92-Y168 HydrophobicContact CB-CE2 4.3Å; V92-Y168 HydrophobicContact CG1-CE2 4.3Å; I94-Y168 HydrophobicContact CD1-CD2 3.66Å; I94-Y168 HydrophobicContact CD1-CG 4.38Å; I94-Y168 HydrophobicContact CG1-CD2 3.89Å; S164-Y168 VanDerWaalsContact O-CB 3.28Å; S164-Y168 WeakPolarHBondContact O-CB 3.45Å; S164-Y168 PolarHBondContact O-N 3.45Å; K165-Y168 PolarHBondContact O-N 3.42Å; T166-Y168 VanDerWaalsContact C-N 3.27Å; T166-Y168 PolarHBondContact O-N 3.23Å; Y168-M170 VanDerWaalsContact C-N 3.28Å; Y168-M170 PolarHBondContact O-N 2.68Å; Y168-C171 VanDerWaalsContact O-CB 3.26Å; Y168-C171 WeakPolarHBondContact O-CB 3.42Å; Y168-C171 PolarHBondContact O-N 2.89Å; Y168-Y174 HydrophobicContact CD1-CD1 4.47Å; Y168-Y174 HydrophobicContact CD1-CD2 4.41Å; Y168-Y174 HydrophobicContact CD1-CE1 4.31Å; Y168-Y174 HydrophobicContact CD1-CE2 4.27Å; Y168-Y174 HydrophobicContact CD1-CG 4.48Å; Y168-Y174 HydrophobicContact CE1-CD1 4.32Å; Y168-Y174 AromaticContact CE1-CD2 3.57Å; Y168-Y174 HydrophobicContact CE1-CD2 3.57Å; Y168-Y174 HydrophobicContact CE1-CE1 4.07Å; Y168-Y174 AromaticContact CE1-CE2 3.28Å; Y168-Y174 HydrophobicContact CE1-CE2 3.28Å; Y168-Y174 HydrophobicContact CE1-CG 4.06Å; Y168-Y174 AromaticContact CE1-CZ 3.52Å; Y168-Y174 HydrophobicContact CE2-CD2 4.12Å; Y168-Y174 HydrophobicContact CE2-CG 4.49Å; Y168-Y174 AromaticContact CZ-CD2 3.37Å; Y168-Y174 AromaticContact CZ-CE2 3.48Å; Y168-Y174 VanDerWaalsContact CZ-CE2 3.48Å; Y168-Y174 WeakPolarHBondContact OH-CD2 3.45Å; Y168-Y174 WeakPolarHBondContact OH-CE2 3.45Å; Y168-F213 HydrophobicContact CD1-CE1 4.37Å
169V84.9Confident83Confident3 Ų331.5 Ų31.52%0.01816%0.156CC..Hα-helixtrans-71.2-22.4-178.8-57.50000113.8K165 Y174 F213 I216 V220 Y225K165-V169 WeakPolarHBondContact O-CG1 3.35Å; K165-V169 WeakPolarHBondContact O-CG2 3.41Å; K165-V169 PolarHBondContact O-N 3.21Å; V169-Y174 HydrophobicContact CB-CE1 4.39Å; V169-Y174 HydrophobicContact CG1-CE1 4.07Å; V169-F213 HydrophobicContact CG1-CD1 4.05Å; V169-F213 HydrophobicContact CG1-CE1 3.91Å; V169-I216 HydrophobicContact CB-CG2 3.96Å; V169-I216 HydrophobicContact CG1-CG2 3.76Å; V169-I216 HydrophobicContact CG2-CG2 3.64Å; V169-V220 HydrophobicContact CB-CG2 4.09Å; V169-V220 HydrophobicContact CG2-CG2 3.67Å; V169-Y225 HydrophobicContact CG2-CD1 3.76Å; V169-Y225 HydrophobicContact CG2-CE1 3.81Å
170M84.2Confident82.5Confident55 Ų5526.3 Ų26.327%0.27113%0.134SC..THydrogen-bonded Turntrans-86.9-6.1174.6-68.4-62.1-4300113.8T166 Y168 Q175 V220 R581T166-M170 HydrophobicContact CG2-CG 4.31Å; T166-M170 WeakPolarHBondContact O-CB 3.19Å; T166-M170 WeakPolarHBondContact O-CG 3.17Å; T166-M170 PolarHBondContact O-N 3.4Å; T166-M170 VanDerWaalsContact O-N 3.08Å; Y168-M170 VanDerWaalsContact C-N 3.28Å; Y168-M170 PolarHBondContact O-N 2.68Å; M170-Q175 VanDerWaalsContact C-NE2 3.33Å; M170-Q175 PolarHBondContact O-NE2 2.91Å; M170-Q175 VanDerWaalsContact O-NE2 3.07Å; M170-V220 HydrophobicContact SD-CG1 4.03Å; M170-V220 HydrophobicContact SD-CG2 4.11Å; M170-R581 PolarHBondContact SD-NH1 3.36Å; M170-R581 VanDerWaalsContact SD-NH1 3.43Å
171C81.3Confident82Confident2 Ų228 Ų281%0.01414%0.143CC..  trans-64.6140.5172164.70000110.3V92 A167 Y168 E173 Q175V92-C171 HydrophobicContact CG1-CB 4.35Å; V92-C171 WeakPolarHBondContact CG1-SG 3.21Å; A167-C171 PolarHBondContact O-N 3.45Å; Y168-C171 VanDerWaalsContact O-CB 3.26Å; Y168-C171 WeakPolarHBondContact O-CB 3.42Å; Y168-C171 PolarHBondContact O-N 2.89Å; C171-E173 PolarHBondContact SG-OE2 3.32Å; C171-Q175 WeakPolarHBondContact O-CG 3.12Å; C171-Q175 PolarHBondContact O-N 2.97Å; C171-Q175 PolarHBondContact O-NE2 3.02Å
172Q77.4Confident81.9Confident142 Ų14228 Ų2866%0.66414%0.143SC*.Hα-helixtrans-75.2-41.5-174.8-177171.7-22.500111.2Y174 Q175 L176Q172-Y174 VanDerWaalsContact C-N 3.34Å; Q172-Y174 PolarHBondContact O-N 2.75Å; Q172-Q175 PolarHBondContact O-N 3.46Å; Q172-L176 WeakPolarHBondContact O-CG 3.23Å; Q172-L176 PolarHBondContact O-N 3.4Å
173E71.6Confident81.9Confident94 Ų9427.1 Ų27.144%0.43914%0.137SC..Hα-helixtrans-56.1-49174.7-63.475.7-174.900110.2V92 C171 Q175 L176 L177V92-E173 HydrophobicContact CG1-CB 4.37Å; C171-E173 PolarHBondContact SG-OE2 3.32Å; E173-Q175 PolarHBondContact O-N 3.49Å; E173-L176 WeakPolarHBondContact O-CB 3.29Å; E173-L176 PolarHBondContact O-N 3.3Å; E173-L176 VanDerWaalsContact O-N 3.15Å; E173-L177 WeakPolarHBondContact O-CG 3.46Å; E173-L177 PolarHBondContact O-N 3.07Å
174Y76.1Confident81.9Confident3 Ų328.6 Ų28.61%0.01214%0.143CC..Hα-helixtrans-61.4-41.2177.1-177.5-106.6000113.1N76 V89 Y168 V169 Q172 L176 L177 R178N76-Y174 WeakPolarHBondContact CA-OH 3.37Å; N76-Y174 PolarHBondContact OD1-OH 3.41Å; V89-Y174 HydrophobicContact CG2-CD2 4.1Å; V89-Y174 HydrophobicContact CG2-CE2 3.86Å; Y168-Y174 HydrophobicContact CD1-CD1 4.47Å; Y168-Y174 HydrophobicContact CD1-CD2 4.41Å; Y168-Y174 HydrophobicContact CD1-CE1 4.31Å; Y168-Y174 HydrophobicContact CD1-CE2 4.27Å; Y168-Y174 HydrophobicContact CD1-CG 4.48Å; Y168-Y174 HydrophobicContact CE1-CD1 4.32Å; Y168-Y174 AromaticContact CE1-CD2 3.57Å; Y168-Y174 HydrophobicContact CE1-CD2 3.57Å; Y168-Y174 HydrophobicContact CE1-CE1 4.07Å; Y168-Y174 AromaticContact CE1-CE2 3.28Å; Y168-Y174 HydrophobicContact CE1-CE2 3.28Å; Y168-Y174 HydrophobicContact CE1-CG 4.06Å; Y168-Y174 AromaticContact CE1-CZ 3.52Å; Y168-Y174 HydrophobicContact CE2-CD2 4.12Å; Y168-Y174 HydrophobicContact CE2-CG 4.49Å; Y168-Y174 AromaticContact CZ-CD2 3.37Å; Y168-Y174 AromaticContact CZ-CE2 3.48Å; Y168-Y174 VanDerWaalsContact CZ-CE2 3.48Å; Y168-Y174 WeakPolarHBondContact OH-CD2 3.45Å; Y168-Y174 WeakPolarHBondContact OH-CE2 3.45Å; V169-Y174 HydrophobicContact CB-CE1 4.39Å; V169-Y174 HydrophobicContact CG1-CE1 4.07Å; Q172-Y174 VanDerWaalsContact C-N 3.34Å; Q172-Y174 PolarHBondContact O-N 2.75Å; Y174-L176 PolarHBondContact O-N 3.22Å; Y174-L177 PolarHBondContact O-N 3.04Å; Y174-R178 HydrophobicContact CE1-CG 4.41Å; Y174-R178 WeakPolarHBondContact O-CG 3.37Å; Y174-R178 PolarHBondContact O-N 2.93Å; Y174-R178 VanDerWaalsContact O-N 3.09Å
175Q78Confident82Confident54 Ų5431.5 Ų31.525%0.25215%0.149SC..Hα-helixtrans-59.1-33.4176-78.6167.784.200112.7M170 C171 Q172 E173 G179 V220M170-Q175 VanDerWaalsContact C-NE2 3.33Å; M170-Q175 PolarHBondContact O-NE2 2.91Å; M170-Q175 VanDerWaalsContact O-NE2 3.07Å; C171-Q175 WeakPolarHBondContact O-CG 3.12Å; C171-Q175 PolarHBondContact O-N 2.97Å; C171-Q175 PolarHBondContact O-NE2 3.02Å; Q172-Q175 PolarHBondContact O-N 3.46Å; E173-Q175 PolarHBondContact O-N 3.49Å; Q175-G179 PolarHBondContact O-N 3.33Å; Q175-V220 HydrophobicContact CG-CG1 4.29Å
176L71.5Confident82.3Confident38 Ų3831.8 Ų31.820%0.19915%0.151CC..Hα-helixtrans-68.5-40.7173.2-59.8169.5000112.2N79 Q172 E173 Y174 I289 I300N79-L176 PolarHBondContact ND2-O 2.87Å; Q172-L176 WeakPolarHBondContact O-CG 3.23Å; Q172-L176 PolarHBondContact O-N 3.4Å; E173-L176 WeakPolarHBondContact O-CB 3.29Å; E173-L176 PolarHBondContact O-N 3.3Å; E173-L176 VanDerWaalsContact O-N 3.15Å; Y174-L176 PolarHBondContact O-N 3.22Å; L176-I289 HydrophobicContact CB-CG2 4.29Å; L176-I289 HydrophobicContact CD2-CD1 4.08Å; L176-I289 HydrophobicContact CD2-CG1 4.29Å; L176-I289 HydrophobicContact CD2-CG2 3.63Å; L176-I300 HydrophobicContact CD1-CD1 4.49Å
177L70.7Confident82.5Confident1 Ų131.2 Ų31.21%0.00515%0.148CC..Hα-helixtrans-67.9-34-178.8-59.8-177.1000113.5Y77 N79 L88 V89 V92 E173 Y174 M291 I300Y77-L177 CarbonylContact C-O 3.54Å; N79-L177 WeakPolarHBondContact CB-O 3.22Å; N79-L177 PolarHBondContact N-O 3Å; N79-L177 VanDerWaalsContact N-O 3.14Å; L88-L177 HydrophobicContact CB-CD1 4.22Å; L88-L177 HydrophobicContact CB-CD2 4.42Å; V89-L177 HydrophobicContact CG2-CD1 4.09Å; V92-L177 HydrophobicContact CG2-CD1 3.81Å; E173-L177 WeakPolarHBondContact O-CG 3.46Å; E173-L177 PolarHBondContact O-N 3.07Å; Y174-L177 PolarHBondContact O-N 3.04Å; L177-M291 HydrophobicContact CD2-CE 3.84Å; L177-M291 HydrophobicContact CD2-SD 4.12Å; L177-I300 HydrophobicContact CD2-CD1 4.09Å; L177-I300 HydrophobicContact CD2-CG2 4.33Å
178R75.2Confident82.7Confident3 Ų332.5 Ų32.51%0.01115%0.152CC..Hα-helixtrans-85.4-26.3-179.963.7157.9-17891.1-8.4115.2L75 A78 Y174 A217 D221L75-R178 WeakPolarHBondContact O-CB 3.49Å; A78-R178 WeakPolarHBondContact CB-O 3.44Å; Y174-R178 HydrophobicContact CE1-CG 4.41Å; Y174-R178 WeakPolarHBondContact O-CG 3.37Å; Y174-R178 PolarHBondContact O-N 2.93Å; Y174-R178 VanDerWaalsContact O-N 3.09Å; R178-A217 PolarHBondContact NH2-O 3.07Å; R178-D221 IonicContact CZ-OD1 3.61Å; R178-D221 IonicContact NH1-OD1 3.97Å; R178-D221 PolarHBondContact NH1-OD1 3.12Å; R178-D221 IonicContact NH1-OD2 3.35Å; R178-D221 PolarHBondContact NH1-OD2 3.19Å; R178-D221 IonicContact NH2-OD1 2.72Å; R178-D221 PolarHBondContact NH2-OD1 2.86Å
179G70Confident83.1Confident0 Ų032.1 Ų32.10%015%0.151CC..  trans57.6-168.2-171.500000114.1N79 Q175N79-G179 VanDerWaalsContact ND2-CA 3.26Å; N79-G179 WeakPolarHBondContact ND2-CA 3.4Å; N79-G179 PolarHBondContact ND2-N 3.4Å; Q175-G179 PolarHBondContact O-N 3.33Å
180S83.3Confident83.5Confident4 Ų433.1 Ų33.13%0.02816%0.156CC..  trans-135.230-173.9-430000112L182 F183 K184 L286S180-L182 VanDerWaalsContact C-N 3.32Å; S180-L182 PolarHBondContact O-N 2.99Å; S180-F183 WeakPolarHBondContact O-CB 3.45Å; S180-F183 PolarHBondContact O-N 2.89Å; S180-K184 PolarHBondContact O-N 2.86Å; S180-L286 WeakPolarHBondContact CB-O 3.31Å; S180-L286 WeakPolarHBondContact OG-CB 3.3Å; S180-L286 PolarHBondContact OG-O 2.96Å
181N84.3Confident83.9Confident43 Ų4331.5 Ų31.523%0.2315%0.15CC..Hα-helixtrans-65-33.5-167-60.7-20000112.7T71 N79 K184 R185T71-N181 VanDerWaalsContact O-CB 3.23Å; T71-N181 WeakPolarHBondContact O-CB 3.4Å; T71-N181 PolarHBondContact O-ND2 2.92Å; N79-N181 PolarHBondContact OD1-ND2 3.41Å; N181-K184 PolarHBondContact O-N 2.87Å; N181-R185 WeakPolarHBondContact O-CB 3.38Å; N181-R185 PolarHBondContact O-N 3.29Å
182L89.6Confident84.3Confident4 Ų436.8 Ų36.82%0.02118%0.175CC..Hα-helixtrans-65.3-41.8171.6-175.856.3000112.5M72 L73 L75 S180 K184 R185 I186 Y208 T214 L218M72-L182 HydrophobicContact CE-CD1 4.12Å; M72-L182 HydrophobicContact CG-CB 4.17Å; M72-L182 HydrophobicContact CG-CD1 4.19Å; M72-L182 WeakPolarHBondContact O-CB 3.45Å; M72-L182 HydrophobicContact SD-CD1 4.33Å; L73-L182 HydrophobicContact CD2-CD1 3.99Å; L73-L182 HydrophobicContact CD2-CD2 4.15Å; L75-L182 HydrophobicContact CD1-CB 4.01Å; L75-L182 HydrophobicContact CD1-CD2 4.19Å; S180-L182 VanDerWaalsContact C-N 3.32Å; S180-L182 PolarHBondContact O-N 2.99Å; L182-K184 VanDerWaalsContact C-N 3.35Å; L182-R185 PolarHBondContact O-N 3.23Å; L182-I186 HydrophobicContact CD1-CD1 4.14Å; L182-I186 HydrophobicContact CD1-CG1 4.32Å; L182-I186 HydrophobicContact CG-CD1 3.93Å; L182-I186 VanDerWaalsContact O-CG1 3.26Å; L182-I186 WeakPolarHBondContact O-CG1 3.39Å; L182-I186 PolarHBondContact O-N 2.91Å; L182-Y208 HydrophobicContact CD1-CD1 4.08Å; L182-Y208 HydrophobicContact CD1-CD2 4.04Å; L182-Y208 HydrophobicContact CD1-CE1 4.2Å; L182-Y208 HydrophobicContact CD1-CE2 4.17Å; L182-Y208 HydrophobicContact CD1-CG 4Å; L182-T214 HydrophobicContact CD2-CG2 3.56Å; L182-L218 HydrophobicContact CB-CD2 4.47Å; L182-L218 HydrophobicContact CD2-CD1 3.91Å; L182-L218 HydrophobicContact CD2-CD2 4.43Å; L182-L218 HydrophobicContact CD2-CG 4.29Å; L182-L218 HydrophobicContact CG-CD1 4.41Å; L182-L218 HydrophobicContact CG-CD2 4.32Å
183F93Very high84.9Confident0 Ų031.6 Ų31.60%016%0.156CC..Hα-helixtrans-64.4-42.5177-176.4-167.2000110.3S180 I186 A187 L218 D221 W222 F279 L282 A283 L286S180-F183 WeakPolarHBondContact O-CB 3.45Å; S180-F183 PolarHBondContact O-N 2.89Å; F183-I186 PolarHBondContact O-N 3.33Å; F183-A187 WeakPolarHBondContact O-CB 3.28Å; F183-A187 PolarHBondContact O-N 3.08Å; F183-L218 HydrophobicContact CB-CD2 3.81Å; F183-D221 HydrophobicContact CD1-CB 3.81Å; F183-D221 HydrophobicContact CE1-CB 4.23Å; F183-W222 AromaticContact CD1-NE1 3.79Å; F183-W222 HydrophobicContact CD2-CZ2 4.35Å; F183-W222 AromaticContact CD2-NE1 3.72Å; F183-W222 AromaticContact CE1-CD1 3.67Å; F183-W222 AromaticContact CE1-NE1 3.38Å; F183-W222 AromaticContact CE2-NE1 3.36Å; F183-W222 AromaticContact CG-NE1 3.97Å; F183-W222 AromaticContact CZ-CD1 3.7Å; F183-W222 AromaticContact CZ-NE1 3.18Å; F183-F279 HydrophobicContact CD2-CE1 4.34Å; F183-F279 HydrophobicContact CD2-CE2 4.49Å; F183-F279 HydrophobicContact CD2-CZ 4.03Å; F183-F279 HydrophobicContact CE2-CD1 4.23Å; F183-F279 HydrophobicContact CE2-CD2 4.06Å; F183-F279 AromaticContact CE2-CE1 3.82Å; F183-F279 HydrophobicContact CE2-CE1 3.82Å; F183-F279 AromaticContact CE2-CE2 3.61Å; F183-F279 HydrophobicContact CE2-CE2 3.61Å; F183-F279 HydrophobicContact CE2-CG 4.36Å; F183-F279 AromaticContact CE2-CZ 3.49Å; F183-F279 HydrophobicContact CE2-CZ 3.49Å; F183-F279 VanDerWaalsContact CE2-CZ 3.49Å; F183-F279 HydrophobicContact CZ-CD2 4.46Å; F183-F279 HydrophobicContact CZ-CE2 4.28Å; F183-L282 HydrophobicContact CE1-CB 4.48Å; F183-L282 HydrophobicContact CE1-CD2 4.1Å; F183-L282 HydrophobicContact CE1-CG 3.9Å; F183-L282 HydrophobicContact CZ-CB 4.16Å; F183-L282 HydrophobicContact CZ-CD2 3.98Å; F183-L282 HydrophobicContact CZ-CG 3.98Å; F183-A283 HydrophobicContact CD1-CB 4.25Å; F183-A283 HydrophobicContact CD2-CB 3.75Å; F183-A283 HydrophobicContact CE1-CB 4.23Å; F183-A283 HydrophobicContact CE2-CB 3.67Å; F183-A283 HydrophobicContact CG-CB 4Å; F183-A283 HydrophobicContact CZ-CB 3.92Å; F183-L286 HydrophobicContact CD1-CD1 4.17Å; F183-L286 HydrophobicContact CE1-CD1 3.97Å
184K90.9Very high85.7Confident54 Ų5428 Ų2824%0.23514%0.142CC..Hα-helixtrans-59.1-48.5173.1-172.457167.375.30112.2S180 N181 L182 I186 A187 D188 A283 E284 S287S180-K184 PolarHBondContact O-N 2.86Å; N181-K184 PolarHBondContact O-N 2.87Å; L182-K184 VanDerWaalsContact C-N 3.35Å; K184-I186 PolarHBondContact O-N 3.4Å; K184-A187 PolarHBondContact O-N 2.81Å; K184-D188 IonicContact NZ-OD1 2.65Å; K184-D188 PolarHBondContact NZ-OD1 3.34Å; K184-D188 IonicContact NZ-OD2 2.69Å; K184-D188 PolarHBondContact NZ-OD2 3.05Å; K184-D188 WeakPolarHBondContact O-CB 3.19Å; K184-D188 VanDerWaalsContact O-CG 3.25Å; K184-D188 PolarHBondContact O-N 2.93Å; K184-A283 HydrophobicContact CD-CB 4.42Å; K184-E284 HydrophobicContact CD-CG 4.4Å; K184-S287 WeakPolarHBondContact CD-OG 3.2Å
185R90.6Very high86.2Confident88 Ų8834.7 Ų34.733%0.33217%0.171SC..Hα-helixtrans-56.4-46.3176.117460.9176.3-139.41.4112.6M72 N181 L182 D188 Q189 Y208M72-R185 HydrophobicContact SD-CB 3.94Å; M72-R185 HydrophobicContact SD-CG 3.77Å; N181-R185 WeakPolarHBondContact O-CB 3.38Å; N181-R185 PolarHBondContact O-N 3.29Å; L182-R185 PolarHBondContact O-N 3.23Å; R185-D188 PolarHBondContact O-N 3.32Å; R185-Q189 WeakPolarHBondContact O-CG 3.41Å; R185-Q189 PolarHBondContact O-N 3.26Å; R185-Q189 VanDerWaalsContact O-N 3.09Å; R185-Y208 WeakPolarHBondContact CG-OH 3.4Å
186I93.9Very high86.1Confident16 Ų1633.9 Ų33.98%0.08217%0.17CC..Hα-helixtrans-62-48.9177.2-69.2164.5000109.8L182 F183 K184 D188 Q189 L190 Y208 L218 V239 F279L182-I186 HydrophobicContact CD1-CD1 4.14Å; L182-I186 HydrophobicContact CD1-CG1 4.32Å; L182-I186 HydrophobicContact CG-CD1 3.93Å; L182-I186 VanDerWaalsContact O-CG1 3.26Å; L182-I186 WeakPolarHBondContact O-CG1 3.39Å; L182-I186 PolarHBondContact O-N 2.91Å; F183-I186 PolarHBondContact O-N 3.33Å; K184-I186 PolarHBondContact O-N 3.4Å; I186-D188 VanDerWaalsContact C-N 3.33Å; I186-D188 PolarHBondContact O-N 2.89Å; I186-Q189 PolarHBondContact O-N 3.25Å; I186-L190 WeakPolarHBondContact O-CG 3.45Å; I186-L190 PolarHBondContact O-N 2.79Å; I186-Y208 HydrophobicContact CG1-CE2 4.03Å; I186-L218 HydrophobicContact CD1-CD1 4.2Å; I186-L218 HydrophobicContact CD1-CD2 4.45Å; I186-V239 HydrophobicContact CG2-CB 4.18Å; I186-V239 HydrophobicContact CG2-CG1 3.95Å; I186-V239 HydrophobicContact CG2-CG2 4.3Å; I186-F279 HydrophobicContact CG2-CE1 4.21Å; I186-F279 HydrophobicContact CG2-CZ 4.24Å
187A94.7Very high85.6Confident0 Ų037 Ų370%019%0.188CC..Hα-helixtrans-62.6-38.2-178.900000113.1F183 K184 L190 S191 F279 V280 A283F183-A187 WeakPolarHBondContact O-CB 3.28Å; F183-A187 PolarHBondContact O-N 3.08Å; K184-A187 PolarHBondContact O-N 2.81Å; A187-L190 PolarHBondContact O-N 2.92Å; A187-S191 WeakPolarHBondContact O-CB 3.37Å; A187-S191 PolarHBondContact O-N 2.7Å; A187-F279 HydrophobicContact CB-CD1 3.88Å; A187-F279 HydrophobicContact CB-CE1 3.83Å; A187-V280 HydrophobicContact CB-CG2 4.21Å; A187-A283 HydrophobicContact CB-CB 3.49Å; A187-A283 VanDerWaalsContact CB-CB 3.49Å
188D92.3Very high85.1Confident49 Ų4947.6 Ų47.626%0.26223%0.233SC..Hα-helixtrans-64.2-47.1175.1-69.7-25.1000111.4K184 R185 I186 L190 S191 E192K184-D188 IonicContact NZ-OD1 2.65Å; K184-D188 PolarHBondContact NZ-OD1 3.34Å; K184-D188 IonicContact NZ-OD2 2.69Å; K184-D188 PolarHBondContact NZ-OD2 3.05Å; K184-D188 WeakPolarHBondContact O-CB 3.19Å; K184-D188 VanDerWaalsContact O-CG 3.25Å; K184-D188 PolarHBondContact O-N 2.93Å; R185-D188 PolarHBondContact O-N 3.32Å; I186-D188 VanDerWaalsContact C-N 3.33Å; I186-D188 PolarHBondContact O-N 2.89Å; D188-L190 VanDerWaalsContact C-N 3.32Å; D188-L190 PolarHBondContact O-N 3Å; D188-S191 CarbonylContact O-C 3.39Å; D188-S191 WeakPolarHBondContact O-CA 3.42Å; D188-S191 VanDerWaalsContact O-CB 3.31Å; D188-S191 WeakPolarHBondContact O-CB 3.48Å; D188-S191 PolarHBondContact O-N 3.03Å; D188-E192 WeakPolarHBondContact O-CG 3.36Å; D188-E192 PolarHBondContact O-N 2.84Å
189Q91.4Very high83.9Confident21 Ų2152.7 Ų52.710%0.09827%0.27CS..Hα-helixtrans-60.2-38.8176.3-73.5175.7-4800112.8R185 I186 E192 A193 Y208R185-Q189 WeakPolarHBondContact O-CG 3.41Å; R185-Q189 PolarHBondContact O-N 3.26Å; R185-Q189 VanDerWaalsContact O-N 3.09Å; I186-Q189 PolarHBondContact O-N 3.25Å; Q189-E192 PolarHBondContact O-N 3.3Å; Q189-A193 WeakPolarHBondContact O-CB 3.36Å; Q189-A193 PolarHBondContact O-N 2.88Å; Q189-Y208 VanDerWaalsContact CD-OH 3.3Å; Q189-Y208 PolarHBondContact NE2-OH 3.38Å; Q189-Y208 PolarHBondContact OE1-OH 2.81Å
190L93.5Very high83.2Confident24 Ų2458 Ų5813%0.12629%0.294CS..Hα-helixtrans-71.1-33.5174.5-59.7-166.4000112I186 A187 D188 A194 V239 L241 V250 L276 F279I186-L190 WeakPolarHBondContact O-CG 3.45Å; I186-L190 PolarHBondContact O-N 2.79Å; A187-L190 PolarHBondContact O-N 2.92Å; D188-L190 VanDerWaalsContact C-N 3.32Å; D188-L190 PolarHBondContact O-N 3Å; L190-A194 WeakPolarHBondContact O-CB 3.46Å; L190-A194 PolarHBondContact O-N 2.82Å; L190-A194 VanDerWaalsContact O-N 3.07Å; L190-V239 HydrophobicContact CD1-CG1 3.77Å; L190-L241 HydrophobicContact CB-CD2 4.44Å; L190-L241 HydrophobicContact CD1-CB 4.48Å; L190-L241 HydrophobicContact CD2-CB 4.07Å; L190-L241 WeakPolarHBondContact O-CD2 3.41Å; L190-V250 HydrophobicContact CD1-CG1 3.99Å; L190-V250 HydrophobicContact CD1-CG2 3.82Å; L190-L276 HydrophobicContact CB-CD1 3.78Å; L190-F279 HydrophobicContact CD1-CE1 4.05Å
191S93.1Very high81.8Confident21 Ų2162.4 Ų62.415%0.14733%0.325CS..Hα-helixtrans-66.1-39.7173.6-161.80000111.8A187 D188 K195A187-S191 WeakPolarHBondContact O-CB 3.37Å; A187-S191 PolarHBondContact O-N 2.7Å; D188-S191 CarbonylContact O-C 3.39Å; D188-S191 WeakPolarHBondContact O-CA 3.42Å; D188-S191 VanDerWaalsContact O-CB 3.31Å; D188-S191 WeakPolarHBondContact O-CB 3.48Å; D188-S191 PolarHBondContact O-N 3.03Å; S191-K195 WeakPolarHBondContact O-CD 3.45Å; S191-K195 VanDerWaalsContact O-CE 3.32Å; S191-K195 WeakPolarHBondContact O-CE 3.28Å; S191-K195 WeakPolarHBondContact O-CG 3.48Å; S191-K195 PolarHBondContact O-N 3.4Å; S191-K195 WeakPolarHBondContact OG-CE 3.48Å; S191-K195 PolarHBondContact OG-NZ 3.33Å
192E90Very high80.9Confident114 Ų11461 Ų6153%0.53332%0.319SS..Hα-helixtrans-64.5-54.7173.2-72166.5178.200110.7D188 Q189 A194 K195 T196D188-E192 WeakPolarHBondContact O-CG 3.36Å; D188-E192 PolarHBondContact O-N 2.84Å; Q189-E192 PolarHBondContact O-N 3.3Å; E192-A194 PolarHBondContact O-N 3.12Å; E192-A194 VanDerWaalsContact O-N 3.12Å; E192-K195 WeakPolarHBondContact O-CA 3.43Å; E192-K195 WeakPolarHBondContact O-CB 3.45Å; E192-K195 PolarHBondContact O-N 2.88Å; E192-T196 PolarHBondContact O-N 3.27Å; E192-T196 PolarHBondContact O-OG1 3.05Å
193A88.4Confident80.1Confident33 Ų3363.6 Ų63.627%0.27333%0.332SS..Hα-helixtrans-60.9-23.5-179.500000114.2Q189 L241Q189-A193 WeakPolarHBondContact O-CB 3.36Å; Q189-A193 PolarHBondContact O-N 2.88Å; A193-L241 HydrophobicContact CB-CD2 4.04Å
194A89.5Confident79.4Confident17 Ų1767.6 Ų67.614%0.1435%0.35CS..Hα-helixtrans-79.8-24.3171.900000114.1L190 E192 L241 Y248 L276L190-A194 WeakPolarHBondContact O-CB 3.46Å; L190-A194 PolarHBondContact O-N 2.82Å; L190-A194 VanDerWaalsContact O-N 3.07Å; E192-A194 PolarHBondContact O-N 3.12Å; E192-A194 VanDerWaalsContact O-N 3.12Å; A194-L241 HydrophobicContact CB-CD2 4.2Å; A194-Y248 HydrophobicContact CB-CD1 3.81Å; A194-Y248 HydrophobicContact CB-CD2 4.07Å; A194-Y248 HydrophobicContact CB-CE1 3.89Å; A194-Y248 HydrophobicContact CB-CE2 4.17Å; A194-Y248 HydrophobicContact CB-CG 3.89Å; A194-Y248 PolarHBondContact O-OH 3.45Å; A194-L276 HydrophobicContact CB-CD2 3.3Å
195K86.3Confident79Confident144 Ų14466.9 Ų66.963%0.62635%0.347SS*.Hα-helixtrans-87.2-33.8177.9-67.6159.3-168155.30112.5S191 E192 N197S191-K195 WeakPolarHBondContact O-CD 3.45Å; S191-K195 VanDerWaalsContact O-CE 3.32Å; S191-K195 WeakPolarHBondContact O-CE 3.28Å; S191-K195 WeakPolarHBondContact O-CG 3.48Å; S191-K195 PolarHBondContact O-N 3.4Å; S191-K195 WeakPolarHBondContact OG-CE 3.48Å; S191-K195 PolarHBondContact OG-NZ 3.33Å; E192-K195 WeakPolarHBondContact O-CA 3.43Å; E192-K195 WeakPolarHBondContact O-CB 3.45Å; E192-K195 PolarHBondContact O-N 2.88Å; K195-N197 PolarHBondContact O-N 3.36Å
196T75.1Confident78.8Confident37 Ų3764.2 Ų64.223%0.22734%0.343CS..SBendtrans-59.7128.1-177.1-47.10000111.4E192 E200E192-T196 PolarHBondContact O-N 3.27Å; E192-T196 PolarHBondContact O-OG1 3.05Å; T196-E200 HydrophobicContact CG2-CB 3.4Å
197N62.4Low78.5Confident105 Ų10563.8 Ų63.856%0.56134%0.344SS*.  trans-71.5155.7173.4-78.2-59.6000110.6K195 S199 E200K195-N197 PolarHBondContact O-N 3.36Å; N197-S199 PolarHBondContact O-N 3.25Å; N197-E200 PolarHBondContact N-OE2 2.97Å; N197-E200 PolarHBondContact O-N 3.2Å
198K59.8Low78.4Confident222 Ų22266.5 Ų66.597%0.96535%0.354SS*.THydrogen-bonded Turntrans-57.6-18.5178.8-80.9-162.6172.5-162.10114.4
199S49.6Very low78.3Confident111 Ų11165.1 Ų65.178%0.77635%0.348SS*.THydrogen-bonded Turntrans-83.1-6.5177.551.50000114.6N197N197-S199 PolarHBondContact O-N 3.25Å
200E56.1Low78.3Confident110 Ų11065.5 Ų65.551%0.51436%0.355SS..SBendtrans-113.5144.6-177-74167.3172.300110.9T196 N197 S202T196-E200 HydrophobicContact CG2-CB 3.4Å; N197-E200 PolarHBondContact N-OE2 2.97Å; N197-E200 PolarHBondContact O-N 3.2Å; E200-S202 VanDerWaalsContact C-N 3.28Å; E200-S202 PolarHBondContact O-N 3Å; E200-S202 PolarHBondContact O-OG 2.79Å
201S53.5Low78.2Confident98 Ų9865.5 Ų65.569%0.68535%0.354SS*.  trans-70.377.1-176.557.60000112.3
202S65Low78Confident14 Ų1467.2 Ų67.210%0.09836%0.362CS..  trans-74.5128.7173.8270000111.1E200 K204E200-S202 VanDerWaalsContact C-N 3.28Å; E200-S202 PolarHBondContact O-N 3Å; E200-S202 PolarHBondContact O-OG 2.79Å; S202-K204 WeakPolarHBondContact O-CD 3.42Å; S202-K204 PolarHBondContact O-N 2.94Å; S202-K204 PolarHBondContact OG-NZ 3.49Å
203L72.3Confident78Confident57 Ų5763.5 Ų63.530%0.29834%0.344SS..  trans-56.1116.3170.6-177.469.4000109.9F205 A206L203-F205 WeakPolarHBondContact CD1-O 3.47Å; L203-A206 HydrophobicContact CD2-CB 4.15Å
204K78.1Confident78.1Confident84 Ų8462.1 Ų62.137%0.36533%0.332SS..  trans-83.2-24.7-176.9-58.2-52.8-178.4-163.50113.6F12 Y20 Y21 S202F12-K204 HydrophobicContact CE1-CB 4.34Å; F12-K204 HydrophobicContact CZ-CB 4.33Å; Y20-K204 PolarHBondContact O-N 2.99Å; Y21-K204 HydrophobicContact CD1-CB 4.48Å; Y21-K204 HydrophobicContact CE1-CB 3.96Å; S202-K204 WeakPolarHBondContact O-CD 3.42Å; S202-K204 PolarHBondContact O-N 2.94Å; S202-K204 PolarHBondContact OG-NZ 3.49Å
205F82.7Confident78.4Confident39 Ų3963 Ų6317%0.17133%0.334CS..  trans-153.2139.6-172.9169.7-107.3000110.6Y21 F41 M44 L203Y21-F205 HydrophobicContact CD1-CB 4Å; Y21-F205 HydrophobicContact CE1-CB 4.45Å; F41-F205 HydrophobicContact CD1-CE1 4.25Å; F41-F205 AromaticContact CE1-CE1 3.83Å; F41-F205 HydrophobicContact CE1-CE1 3.83Å; F41-F205 HydrophobicContact CE1-CZ 4.18Å; M44-F205 HydrophobicContact CE-CD1 4.27Å; M44-F205 HydrophobicContact CE-CD2 4.32Å; M44-F205 HydrophobicContact CE-CE1 3.77Å; M44-F205 HydrophobicContact CE-CE2 3.83Å; M44-F205 HydrophobicContact CE-CZ 3.54Å; M44-F205 HydrophobicContact SD-CE1 4.26Å; M44-F205 HydrophobicContact SD-CZ 3.85Å; L203-F205 WeakPolarHBondContact CD1-O 3.47Å
206A86.7Confident78.7Confident32 Ų3256.1 Ų56.126%0.26430%0.304SS..  trans-130.8127.3172.500000109.2L203 Y208L203-A206 HydrophobicContact CD2-CB 4.15Å; A206-Y208 HydrophobicContact CB-CE2 4.13Å
207G88.9Confident79.4Confident8 Ų854.5 Ų54.58%0.08230%0.295CS..  trans-115.8133.1-177.100000111.5K26K26-G207 PolarHBondContact N-O 3.25Å; K26-G207 VanDerWaalsContact N-O 3.08Å
208Y91.2Very high80.9Confident57 Ų5749.8 Ų49.822%0.22427%0.27CS..EExtended strand (participates in β ladder)trans-121.7114-176.9-64.5-66.8000109.8K26 M72 L73 L182 R185 I186 Q189 A206K26-Y208 HydrophobicContact CB-CD1 3.89Å; K26-Y208 HydrophobicContact CB-CE1 3.87Å; K26-Y208 HydrophobicContact CD-CE1 4.12Å; K26-Y208 WeakPolarHBondContact O-CA 3.19Å; M72-Y208 HydrophobicContact CE-CD1 3.89Å; M72-Y208 HydrophobicContact CE-CE1 3.64Å; L73-Y208 HydrophobicContact CD2-CD1 3.9Å; L73-Y208 HydrophobicContact CD2-CG 4.24Å; L182-Y208 HydrophobicContact CD1-CD1 4.08Å; L182-Y208 HydrophobicContact CD1-CD2 4.04Å; L182-Y208 HydrophobicContact CD1-CE1 4.2Å; L182-Y208 HydrophobicContact CD1-CE2 4.17Å; L182-Y208 HydrophobicContact CD1-CG 4Å; R185-Y208 WeakPolarHBondContact CG-OH 3.4Å; I186-Y208 HydrophobicContact CG1-CE2 4.03Å; Q189-Y208 VanDerWaalsContact CD-OH 3.3Å; Q189-Y208 PolarHBondContact NE2-OH 3.38Å; Q189-Y208 PolarHBondContact OE1-OH 2.81Å; A206-Y208 HydrophobicContact CB-CE2 4.13Å
209S91.7Very high82.6Confident19 Ų1939.2 Ų39.213%0.13322%0.224CC..EExtended strand (participates in β ladder)trans-107.9119.9175.8-150.60000110.7K26 I27 H28 A33 G37K26-S209 PolarHBondContact O-N 3.13Å; I27-S209 WeakPolarHBondContact CA-O 3.37Å; H28-S209 PolarHBondContact N-O 3.38Å; H28-S209 VanDerWaalsContact N-O 3.12Å; A33-S209 WeakPolarHBondContact O-CB 3.46Å; A33-S209 PolarHBondContact O-OG 3.3Å; G37-S209 PolarHBondContact N-OG 3.28Å
210A90.8Very high84.6Confident30 Ų3034.2 Ų34.225%0.24819%0.188CC..  trans-156.1-144.3-165.400000110.3L73 T214L73-A210 HydrophobicContact CB-CB 3.91Å; L73-A210 HydrophobicContact CD2-CB 4.22Å; L73-A210 HydrophobicContact CG-CB 4.47Å; A210-T214 HydrophobicContact CB-CG2 3.72Å; A210-T214 VanDerWaalsContact CB-OG1 3.3Å; A210-T214 WeakPolarHBondContact CB-OG1 3.41Å
211H90.1Very high86.3Confident24 Ų2429.7 Ų29.711%0.11117%0.168CC..  trans-114.6174-175.5-46.1-67.6000112.2H28 R32 T214 L215H28-H211 AromaticContact CD2-CE1 3.56Å; H28-H211 AromaticContact CD2-NE2 3.07Å; H28-H211 PolarHBondContact CD2-NE2 3.07Å; H28-H211 AromaticContact CG-NE2 3.63Å; H28-H211 AromaticContact NE2-NE2 3.33Å; H28-H211 PolarHBondContact NE2-NE2 2.81Å; R32-H211 PolarHBondContact NH2-CE1 2.69Å; R32-H211 PolarHBondContact NH2-ND1 3.4Å; H211-T214 PolarHBondContact N-OG1 3.48Å; H211-T214 VanDerWaalsContact N-OG1 3.14Å; H211-T214 VanDerWaalsContact O-CB 3.29Å; H211-T214 WeakPolarHBondContact O-CB 3.19Å; H211-T214 PolarHBondContact O-N 2.92Å; H211-T214 PolarHBondContact O-OG1 3.44Å; H211-L215 PolarHBondContact O-N 3.28Å
212D90.2Very high88.3Confident57 Ų5725 Ų2531%0.30514%0.135SC..Hα-helixtrans-57.7-45.9171.761.6-31.3000112.1K165 T214 L215 I216 P231K165-D212 WeakPolarHBondContact CE-OD2 3.36Å; K165-D212 IonicContact NZ-OD2 2.7Å; K165-D212 PolarHBondContact NZ-OD2 3.46Å; D212-T214 PolarHBondContact O-N 3.11Å; D212-L215 WeakPolarHBondContact O-CB 3.42Å; D212-L215 PolarHBondContact O-N 3.31Å; D212-I216 VanDerWaalsContact O-CG1 3.31Å; D212-I216 WeakPolarHBondContact O-CG1 3.42Å; D212-I216 PolarHBondContact O-N 3.16Å; D212-P231 HydrophobicContact CB-CB 4.02Å; D212-P231 HydrophobicContact CB-CG 4.09Å
213F89.2Confident89.6Confident35 Ų3526.8 Ų26.815%0.15414%0.144CC..Hα-helixtrans-56.9-31.2175.2-81.4-84.6000113.3N76 K165 Y168 V169 I216 A217N76-F213 WeakPolarHBondContact OD1-CB 3.36Å; N76-F213 WeakPolarHBondContact OD1-CG 3.34Å; K165-F213 HydrophobicContact CD-CZ 4.45Å; K165-F213 HydrophobicContact CG-CE1 4.04Å; K165-F213 HydrophobicContact CG-CZ 3.87Å; Y168-F213 HydrophobicContact CD1-CE1 4.37Å; V169-F213 HydrophobicContact CG1-CD1 4.05Å; V169-F213 HydrophobicContact CG1-CE1 3.91Å; F213-I216 PolarHBondContact O-N 3.43Å; F213-A217 WeakPolarHBondContact O-CB 3.47Å; F213-A217 PolarHBondContact O-N 2.65Å
214T91.4Very high90.7Very high4 Ų424.4 Ų24.43%0.02513%0.131CC..Hα-helixtrans-65.6-39.1175.2-39.20000111.7L73 L75 L182 A210 H211 D212L73-T214 HydrophobicContact CD2-CG2 4.34Å; L73-T214 WeakPolarHBondContact O-CG2 3.26Å; L73-T214 PolarHBondContact O-OG1 3.38Å; L75-T214 HydrophobicContact CD1-CG2 3.96Å; L75-T214 HydrophobicContact CG-CG2 4.3Å; L182-T214 HydrophobicContact CD2-CG2 3.56Å; A210-T214 HydrophobicContact CB-CG2 3.72Å; A210-T214 VanDerWaalsContact CB-OG1 3.3Å; A210-T214 WeakPolarHBondContact CB-OG1 3.41Å; H211-T214 PolarHBondContact N-OG1 3.48Å; H211-T214 VanDerWaalsContact N-OG1 3.14Å; H211-T214 VanDerWaalsContact O-CB 3.29Å; H211-T214 WeakPolarHBondContact O-CB 3.19Å; H211-T214 PolarHBondContact O-N 2.92Å; H211-T214 PolarHBondContact O-OG1 3.44Å; D212-T214 PolarHBondContact O-N 3.11Å
215L94.3Very high91.4Very high35 Ų3520.4 Ų20.418%0.18311%0.113CC..Hα-helixtrans-73.7-39.6174.8-58.7178.4000111.6H211 D212 L218 L219 P231 A235 I237H211-L215 PolarHBondContact O-N 3.28Å; D212-L215 WeakPolarHBondContact O-CB 3.42Å; D212-L215 PolarHBondContact O-N 3.31Å; L215-L218 PolarHBondContact O-N 3.49Å; L215-L219 WeakPolarHBondContact O-CG 3.48Å; L215-L219 PolarHBondContact O-N 3.18Å; L215-L219 VanDerWaalsContact O-N 3.16Å; L215-P231 HydrophobicContact CB-CG 4.01Å; L215-P231 HydrophobicContact CD1-CB 4.12Å; L215-P231 HydrophobicContact CD1-CG 4.25Å; L215-A235 HydrophobicContact CD1-CB 3.63Å; L215-I237 HydrophobicContact CB-CD1 3.94Å; L215-I237 HydrophobicContact CD2-CB 4.2Å; L215-I237 HydrophobicContact CD2-CD1 3.89Å; L215-I237 HydrophobicContact CD2-CG1 3.98Å; L215-I237 WeakPolarHBondContact O-CD1 3.1Å
216I93.2Very high91.9Very high0 Ų018.9 Ų18.90%011%0.107CC..Hα-helixtrans-62.3-43.7178.1-63.5165.5000110.7K165 V169 D212 F213 L218 L219 V220 Y225 D230 P231K165-I216 HydrophobicContact CD-CD1 3.83Å; K165-I216 VanDerWaalsContact CE-CD1 3.48Å; K165-I216 HydrophobicContact CG-CD1 4.29Å; V169-I216 HydrophobicContact CB-CG2 3.96Å; V169-I216 HydrophobicContact CG1-CG2 3.76Å; V169-I216 HydrophobicContact CG2-CG2 3.64Å; D212-I216 VanDerWaalsContact O-CG1 3.31Å; D212-I216 WeakPolarHBondContact O-CG1 3.42Å; D212-I216 PolarHBondContact O-N 3.16Å; F213-I216 PolarHBondContact O-N 3.43Å; I216-L218 PolarHBondContact O-N 3.17Å; I216-L219 CarbonylContact O-C 3.46Å; I216-L219 PolarHBondContact O-N 3.48Å; I216-L219 VanDerWaalsContact O-N 3.11Å; I216-V220 HydrophobicContact CG2-CG2 4.2Å; I216-V220 WeakPolarHBondContact O-CG2 3.36Å; I216-V220 PolarHBondContact O-N 3.35Å; I216-Y225 HydrophobicContact CB-CE2 4.31Å; I216-Y225 HydrophobicContact CG1-CD2 4.46Å; I216-Y225 HydrophobicContact CG1-CE2 3.8Å; I216-Y225 HydrophobicContact CG2-CD1 3.95Å; I216-Y225 HydrophobicContact CG2-CD2 3.98Å; I216-Y225 HydrophobicContact CG2-CE1 3.82Å; I216-Y225 HydrophobicContact CG2-CE2 3.86Å; I216-Y225 HydrophobicContact CG2-CG 4.04Å; I216-D230 WeakPolarHBondContact CD1-OD1 3.42Å; I216-P231 HydrophobicContact CD1-CG 4.38Å; I216-P231 HydrophobicContact CG1-CG 3.86Å
217A90.8Very high92.2Very high3 Ų317.9 Ų17.93%0.02510%0.099CC..Hα-helixtrans-55.6-47.6178.500000112.4L75 R178 F213 L219 V220 D221L75-A217 HydrophobicContact CB-CB 4Å; L75-A217 HydrophobicContact CD1-CB 3.64Å; L75-A217 HydrophobicContact CG-CB 4.47Å; R178-A217 PolarHBondContact NH2-O 3.07Å; F213-A217 WeakPolarHBondContact O-CB 3.47Å; F213-A217 PolarHBondContact O-N 2.65Å; A217-L219 PolarHBondContact O-N 3.42Å; A217-V220 PolarHBondContact O-N 3.21Å; A217-D221 VanDerWaalsContact O-CG 3.29Å; A217-D221 PolarHBondContact O-N 3.48Å
218L93.9Very high92.3Very high7 Ų722.8 Ų22.84%0.03712%0.119CC..Hα-helixtrans-61.7-41.3175-67176.5000112.5L182 F183 I186 L215 I216 V220 D221 W222 I237L182-L218 HydrophobicContact CB-CD2 4.47Å; L182-L218 HydrophobicContact CD2-CD1 3.91Å; L182-L218 HydrophobicContact CD2-CD2 4.43Å; L182-L218 HydrophobicContact CD2-CG 4.29Å; L182-L218 HydrophobicContact CG-CD1 4.41Å; L182-L218 HydrophobicContact CG-CD2 4.32Å; F183-L218 HydrophobicContact CB-CD2 3.81Å; I186-L218 HydrophobicContact CD1-CD1 4.2Å; I186-L218 HydrophobicContact CD1-CD2 4.45Å; L215-L218 PolarHBondContact O-N 3.49Å; I216-L218 PolarHBondContact O-N 3.17Å; L218-V220 VanDerWaalsContact C-N 3.28Å; L218-V220 PolarHBondContact O-N 3.18Å; L218-D221 PolarHBondContact O-N 2.9Å; L218-W222 HydrophobicContact CB-CE3 4.32Å; L218-W222 HydrophobicContact CB-CH2 3.94Å; L218-W222 HydrophobicContact CB-CZ2 4.34Å; L218-W222 HydrophobicContact CB-CZ3 3.91Å; L218-W222 HydrophobicContact CD1-CH2 4.24Å; L218-W222 HydrophobicContact CD2-CH2 4.47Å; L218-W222 HydrophobicContact CD2-CZ2 4.29Å; L218-W222 HydrophobicContact CG-CH2 4.46Å; L218-W222 VanDerWaalsContact O-CE3 3.29Å; L218-W222 PolarHBondContact O-N 3.29Å; L218-W222 VanDerWaalsContact O-N 3.13Å; L218-I237 HydrophobicContact CB-CD1 4.02Å; L218-I237 HydrophobicContact CD1-CD1 4.21Å
219L95Very high92.4Very high0 Ų020.2 Ų20.20%011%0.11CC..Hα-helixtrans-67.8-27.4176.7-66.6169.8000112.7L215 I216 A217 F224 Y225 I237 Y254 V265L215-L219 WeakPolarHBondContact O-CG 3.48Å; L215-L219 PolarHBondContact O-N 3.18Å; L215-L219 VanDerWaalsContact O-N 3.16Å; I216-L219 CarbonylContact O-C 3.46Å; I216-L219 PolarHBondContact O-N 3.48Å; I216-L219 VanDerWaalsContact O-N 3.11Å; A217-L219 PolarHBondContact O-N 3.42Å; L219-F224 HydrophobicContact CD2-CD1 4.34Å; L219-F224 PolarHBondContact O-N 3.14Å; L219-Y225 HydrophobicContact CB-CD2 4.04Å; L219-Y225 HydrophobicContact CB-CG 4.38Å; L219-Y225 HydrophobicContact CD1-CD2 4.1Å; L219-Y225 PolarHBondContact O-N 3.31Å; L219-I237 HydrophobicContact CD1-CD1 4.36Å; L219-I237 HydrophobicContact CD2-CD1 4.22Å; L219-I237 HydrophobicContact CG-CD1 3.9Å; L219-Y254 HydrophobicContact CD1-CD1 3.87Å; L219-Y254 HydrophobicContact CD1-CD2 4.38Å; L219-Y254 HydrophobicContact CD1-CE1 3.63Å; L219-Y254 HydrophobicContact CD1-CE2 4.17Å; L219-Y254 HydrophobicContact CD1-CG 4.26Å; L219-Y254 HydrophobicContact CD2-CD1 4.25Å; L219-Y254 HydrophobicContact CD2-CG 4.28Å; L219-V265 HydrophobicContact CD2-CG2 4.02Å
220V92.4Very high92.4Very high6 Ų620.5 Ų20.54%0.03611%0.11CC..Hα-helixtrans-74.7-44.5171.7172.90000110.9V169 M170 Q175 I216 A217 L218 W222 D223 Y225V169-V220 HydrophobicContact CB-CG2 4.09Å; V169-V220 HydrophobicContact CG2-CG2 3.67Å; M170-V220 HydrophobicContact SD-CG1 4.03Å; M170-V220 HydrophobicContact SD-CG2 4.11Å; Q175-V220 HydrophobicContact CG-CG1 4.29Å; I216-V220 HydrophobicContact CG2-CG2 4.2Å; I216-V220 WeakPolarHBondContact O-CG2 3.36Å; I216-V220 PolarHBondContact O-N 3.35Å; A217-V220 PolarHBondContact O-N 3.21Å; L218-V220 VanDerWaalsContact C-N 3.28Å; L218-V220 PolarHBondContact O-N 3.18Å; V220-W222 PolarHBondContact O-N 2.99Å; V220-D223 WeakPolarHBondContact O-CA 3.34Å; V220-D223 PolarHBondContact O-N 2.87Å; V220-Y225 HydrophobicContact CG2-CD1 4.16Å; V220-Y225 HydrophobicContact CG2-CG 4.15Å
221D91.3Very high92.6Very high15 Ų1520 Ų208%0.0810%0.103CC..Hα-helixtrans-57.5-31.9177-69.9-16.5000112.6R178 F183 A217 L218 L286R178-D221 IonicContact CZ-OD1 3.61Å; R178-D221 IonicContact NH1-OD1 3.97Å; R178-D221 PolarHBondContact NH1-OD1 3.12Å; R178-D221 IonicContact NH1-OD2 3.35Å; R178-D221 PolarHBondContact NH1-OD2 3.19Å; R178-D221 IonicContact NH2-OD1 2.72Å; R178-D221 PolarHBondContact NH2-OD1 2.86Å; F183-D221 HydrophobicContact CD1-CB 3.81Å; F183-D221 HydrophobicContact CE1-CB 4.23Å; A217-D221 VanDerWaalsContact O-CG 3.29Å; A217-D221 PolarHBondContact O-N 3.48Å; L218-D221 PolarHBondContact O-N 2.9Å; D221-L286 HydrophobicContact CB-CD1 3.74Å; D221-L286 WeakPolarHBondContact O-CD1 3.43Å
222W94.4Very high92.6Very high0 Ų023.4 Ų23.40%012%0.119CC..THydrogen-bonded Turntrans-90.65.6176.8-57.6-30.1000114.5F183 L218 V220 F224 I237 V239 V252 V265 I267 K268 F279F183-W222 AromaticContact CD1-NE1 3.79Å; F183-W222 HydrophobicContact CD2-CZ2 4.35Å; F183-W222 AromaticContact CD2-NE1 3.72Å; F183-W222 AromaticContact CE1-CD1 3.67Å; F183-W222 AromaticContact CE1-NE1 3.38Å; F183-W222 AromaticContact CE2-NE1 3.36Å; F183-W222 AromaticContact CG-NE1 3.97Å; F183-W222 AromaticContact CZ-CD1 3.7Å; F183-W222 AromaticContact CZ-NE1 3.18Å; L218-W222 HydrophobicContact CB-CE3 4.32Å; L218-W222 HydrophobicContact CB-CH2 3.94Å; L218-W222 HydrophobicContact CB-CZ2 4.34Å; L218-W222 HydrophobicContact CB-CZ3 3.91Å; L218-W222 HydrophobicContact CD1-CH2 4.24Å; L218-W222 HydrophobicContact CD2-CH2 4.47Å; L218-W222 HydrophobicContact CD2-CZ2 4.29Å; L218-W222 HydrophobicContact CG-CH2 4.46Å; L218-W222 VanDerWaalsContact O-CE3 3.29Å; L218-W222 PolarHBondContact O-N 3.29Å; L218-W222 VanDerWaalsContact O-N 3.13Å; V220-W222 PolarHBondContact O-N 2.99Å; W222-F224 PolarHBondContact O-N 3.5Å; W222-I237 HydrophobicContact CH2-CG2 3.78Å; W222-I237 HydrophobicContact CZ3-CD1 4.31Å; W222-I237 HydrophobicContact CZ3-CG2 3.7Å; W222-V239 HydrophobicContact CH2-CG2 3.85Å; W222-V239 HydrophobicContact CZ2-CG2 4.36Å; W222-V252 HydrophobicContact CE3-CG1 3.92Å; W222-V252 HydrophobicContact CH2-CG1 3.89Å; W222-V252 HydrophobicContact CH2-CG2 4.47Å; W222-V252 HydrophobicContact CZ3-CG1 3.44Å; W222-V252 VanDerWaalsContact CZ3-CG1 3.44Å; W222-V265 HydrophobicContact CE3-CG1 4.13Å; W222-I267 HydrophobicContact CB-CB 4.42Å; W222-I267 HydrophobicContact CB-CG1 4.18Å; W222-I267 HydrophobicContact CB-CG2 4.19Å; W222-I267 HydrophobicContact CD2-CG1 4.42Å; W222-I267 HydrophobicContact CG-CD1 4.45Å; W222-I267 HydrophobicContact CG-CG1 3.98Å; W222-I267 HydrophobicContact CG-CG2 4.26Å; W222-K268 PolarHBondContact O-N 2.84Å; W222-K268 VanDerWaalsContact O-N 3.1Å; W222-F279 HydrophobicContact CZ2-CE2 4.35Å; W222-F279 HydrophobicContact CZ2-CZ 4.37Å
223D93.2Very high92.6Very high51 Ų5127.5 Ų27.527%0.27314%0.135SC..THydrogen-bonded Turntrans60.722.4-177.5-146.783.1000114.5V220 K268 R581V220-D223 WeakPolarHBondContact O-CA 3.34Å; V220-D223 PolarHBondContact O-N 2.87Å; D223-K268 HydrophobicContact CB-CB 3.71Å; D223-K268 HydrophobicContact CB-CD 3.75Å; D223-K268 HydrophobicContact CB-CG 3.97Å; D223-R581 WeakPolarHBondContact O-CD 3.07Å; D223-R581 PolarHBondContact O-NE 3.11Å; D223-R581 IonicContact OD1-CZ 3.9Å; D223-R581 IonicContact OD1-NH2 3.72Å; D223-R581 PolarHBondContact OD1-NH2 3.47Å; D223-R581 IonicContact OD2-CZ 3.08Å; D223-R581 IonicContact OD2-NE 2.78Å; D223-R581 PolarHBondContact OD2-NE 2.85Å; D223-R581 VanDerWaalsContact OD2-NE 3.15Å; D223-R581 IonicContact OD2-NH2 2.7Å; D223-R581 PolarHBondContact OD2-NH2 3.3Å
224F94.5Very high92.7Very high7 Ų728.3 Ų28.33%0.03115%0.153CC..  trans-104.1-15.1-170.5-159.2-96.1000114.4L219 W222 L229 F263 V265 K266 V584 V585L219-F224 HydrophobicContact CD2-CD1 4.34Å; L219-F224 PolarHBondContact O-N 3.14Å; W222-F224 PolarHBondContact O-N 3.5Å; F224-L229 HydrophobicContact CD1-CD1 3.79Å; F224-L229 HydrophobicContact CE1-CD1 3.81Å; F224-F263 HydrophobicContact CE1-CE2 4.22Å; F224-V265 HydrophobicContact CB-CG1 3.95Å; F224-V265 HydrophobicContact CD1-CB 4.4Å; F224-V265 HydrophobicContact CD1-CG1 4.02Å; F224-V265 HydrophobicContact CD1-CG2 4.04Å; F224-V265 HydrophobicContact CD2-CG1 4.02Å; F224-V265 HydrophobicContact CE1-CB 4.48Å; F224-V265 HydrophobicContact CE1-CG2 4.06Å; F224-V265 HydrophobicContact CG-CB 4.49Å; F224-V265 HydrophobicContact CG-CG1 3.73Å; F224-K266 WeakPolarHBondContact CD2-O 3.37Å; F224-K266 HydrophobicContact CE2-CB 4.26Å; F224-K266 VanDerWaalsContact CE2-N 3.32Å; F224-V584 HydrophobicContact CE2-CG1 4.48Å; F224-V585 HydrophobicContact CD1-CG2 4.48Å; F224-V585 HydrophobicContact CE1-CG2 3.94Å; F224-V585 HydrophobicContact CE2-CG2 4.43Å; F224-V585 HydrophobicContact CZ-CG2 3.92Å
225Y93.9Very high92.8Very high0 Ų029.3 Ų29.30%016%0.162CC..  trans-70.2139.5-177.2-168.5-107.7000114T166 V169 I216 L219 V220 L229 D230 R581T166-Y225 HydrophobicContact CG2-CD1 4.36Å; T166-Y225 HydrophobicContact CG2-CE1 4.23Å; T166-Y225 WeakPolarHBondContact OG1-CE1 3.11Å; V169-Y225 HydrophobicContact CG2-CD1 3.76Å; V169-Y225 HydrophobicContact CG2-CE1 3.81Å; I216-Y225 HydrophobicContact CB-CE2 4.31Å; I216-Y225 HydrophobicContact CG1-CD2 4.46Å; I216-Y225 HydrophobicContact CG1-CE2 3.8Å; I216-Y225 HydrophobicContact CG2-CD1 3.95Å; I216-Y225 HydrophobicContact CG2-CD2 3.98Å; I216-Y225 HydrophobicContact CG2-CE1 3.82Å; I216-Y225 HydrophobicContact CG2-CE2 3.86Å; I216-Y225 HydrophobicContact CG2-CG 4.04Å; L219-Y225 HydrophobicContact CB-CD2 4.04Å; L219-Y225 HydrophobicContact CB-CG 4.38Å; L219-Y225 HydrophobicContact CD1-CD2 4.1Å; L219-Y225 PolarHBondContact O-N 3.31Å; V220-Y225 HydrophobicContact CG2-CD1 4.16Å; V220-Y225 HydrophobicContact CG2-CG 4.15Å; Y225-L229 HydrophobicContact CD2-CB 4.38Å; Y225-L229 HydrophobicContact CE2-CB 4.39Å; Y225-D230 PolarHBondContact OH-OD1 3.29Å; Y225-R581 PolarHBondContact O-NH1 2.84Å
226I93.2Very high92.9Very high7 Ų730 Ų304%0.03617%0.169CC..  trans-147.3163.7169.860.2175000108.9E228 L229 R581 E582 V585I226-E228 HydrophobicContact CD1-CB 4.19Å; I226-E228 HydrophobicContact CG1-CB 4.32Å; I226-E228 PolarHBondContact O-N 3.02Å; I226-L229 HydrophobicContact CD1-CG 4.42Å; I226-L229 HydrophobicContact CG1-CB 4.31Å; I226-L229 HydrophobicContact CG1-CD1 4.01Å; I226-L229 HydrophobicContact CG1-CG 3.75Å; I226-L229 WeakPolarHBondContact O-CB 3.17Å; I226-L229 PolarHBondContact O-N 2.92Å; I226-R581 HydrophobicContact CG2-CB 3.66Å; I226-E582 HydrophobicContact CD1-CG 4.13Å; I226-V585 HydrophobicContact CD1-CB 3.98Å; I226-V585 HydrophobicContact CD1-CG1 4.12Å; I226-V585 HydrophobicContact CD1-CG2 3.87Å; I226-V585 HydrophobicContact CG1-CG2 4.39Å
227A92.5Very high93Very high11 Ų1131.1 Ų31.19%0.09118%0.175CC..G310 helixtrans-60.5-31.2-173.800000113.8E163 T166 L229 D230E163-A227 HydrophobicContact CG-CB 4.38Å; T166-A227 VanDerWaalsContact OG1-CA 3.26Å; T166-A227 WeakPolarHBondContact OG1-CA 3.34Å; T166-A227 WeakPolarHBondContact OG1-CB 3.44Å; T166-A227 PolarHBondContact OG1-N 2.76Å; A227-L229 PolarHBondContact O-N 3.33Å; A227-D230 PolarHBondContact O-N 2.85Å
228E91.2Very high93.2Very high110 Ų11032.1 Ų32.151%0.51418%0.179SC..G310 helixtrans-68.9-15179-65.663.9-143.400112.7I226 Q256I226-E228 HydrophobicContact CD1-CB 4.19Å; I226-E228 HydrophobicContact CG1-CB 4.32Å; I226-E228 PolarHBondContact O-N 3.02Å; E228-Q256 PolarHBondContact O-NE2 3.07Å; E228-Q256 PolarHBondContact O-OE1 3.12Å
229L93.2Very high93.3Very high4 Ų433.6 Ų33.62%0.02119%0.188CC..G310 helixtrans-98.94.5-179.1-68.3-172.7000114.2F224 Y225 I226 A227 Y254 Q256 F263 V585F224-L229 HydrophobicContact CD1-CD1 3.79Å; F224-L229 HydrophobicContact CE1-CD1 3.81Å; Y225-L229 HydrophobicContact CD2-CB 4.38Å; Y225-L229 HydrophobicContact CE2-CB 4.39Å; I226-L229 HydrophobicContact CD1-CG 4.42Å; I226-L229 HydrophobicContact CG1-CB 4.31Å; I226-L229 HydrophobicContact CG1-CD1 4.01Å; I226-L229 HydrophobicContact CG1-CG 3.75Å; I226-L229 WeakPolarHBondContact O-CB 3.17Å; I226-L229 PolarHBondContact O-N 2.92Å; A227-L229 PolarHBondContact O-N 3.33Å; L229-Y254 HydrophobicContact CB-CE1 4.13Å; L229-Y254 HydrophobicContact CD2-CE1 4.38Å; L229-Y254 WeakPolarHBondContact O-CE1 3.5Å; L229-Y254 PolarHBondContact O-OH 3.03Å; L229-Q256 VanDerWaalsContact C-NE2 3.3Å; L229-F263 HydrophobicContact CD2-CE2 4.09Å; L229-F263 HydrophobicContact CD2-CZ 3.69Å; L229-V585 HydrophobicContact CD1-CG1 4.15Å; L229-V585 HydrophobicContact CD1-CG2 3.91Å; L229-V585 HydrophobicContact CD2-CG1 3.88Å; L229-V585 HydrophobicContact CG-CG1 4.19Å
230D92.1Very high93.3Very high25 Ų2535.4 Ų35.413%0.13420%0.197CC..  trans-50.8129.5180-162.724000111.9K165 I216 Y225 A227 Q256K165-D230 VanDerWaalsContact CD-OD1 3.3Å; K165-D230 WeakPolarHBondContact CD-OD1 3.17Å; K165-D230 WeakPolarHBondContact CE-OD1 3.42Å; K165-D230 VanDerWaalsContact NZ-CG 3.28Å; K165-D230 IonicContact NZ-OD1 3.67Å; K165-D230 PolarHBondContact NZ-OD1 3.34Å; K165-D230 IonicContact NZ-OD2 2.87Å; K165-D230 PolarHBondContact NZ-OD2 3.27Å; K165-D230 VanDerWaalsContact NZ-OD2 3.08Å; I216-D230 WeakPolarHBondContact CD1-OD1 3.42Å; Y225-D230 PolarHBondContact OH-OD1 3.29Å; A227-D230 PolarHBondContact O-N 2.85Å; D230-Q256 WeakPolarHBondContact O-CG 3.5Å; D230-Q256 PolarHBondContact O-NE2 2.71Å
231P93.7Very high93.4Very high18 Ų1837.5 Ų37.512%0.11721%0.207CC..  trans-63.6141.2-175.9-22.733.5000113.7D212 L215 I216 A235 Y254D212-P231 HydrophobicContact CB-CB 4.02Å; D212-P231 HydrophobicContact CB-CG 4.09Å; L215-P231 HydrophobicContact CB-CG 4.01Å; L215-P231 HydrophobicContact CD1-CB 4.12Å; L215-P231 HydrophobicContact CD1-CG 4.25Å; I216-P231 HydrophobicContact CD1-CG 4.38Å; I216-P231 HydrophobicContact CG1-CG 3.86Å; P231-A235 HydrophobicContact CB-CB 3.76Å; P231-Y254 WeakPolarHBondContact CA-OH 3.39Å; P231-Y254 WeakPolarHBondContact CG-OH 3.46Å
232Q91.5Very high93.5Very high96 Ų9639.7 Ų39.745%0.44922%0.217SC..  trans-108170.6171.1-56.1-179.7-23.100110G234 A235 Q256Q232-G234 PolarHBondContact O-N 2.9Å; Q232-A235 WeakPolarHBondContact O-CB 3.45Å; Q232-A235 PolarHBondContact O-N 3.25Å; Q232-Q256 WeakPolarHBondContact CB-O 3.47Å; Q232-Q256 PolarHBondContact N-O 2.67Å
233F89.8Confident93.3Very high144 Ų14445.8 Ų45.863%0.63224%0.243SC*.THydrogen-bonded Turntrans-55.6133.2173.5-61.2-62.4000111.6L132 A235 H258L132-F233 HydrophobicContact CD2-CE2 3.89Å; L132-F233 HydrophobicContact CD2-CZ 4.18Å; L132-F233 HydrophobicContact CG-CE2 4.22Å; F233-A235 VanDerWaalsContact C-N 3.35Å; F233-H258 PolarHBondContact O-N 3.39Å
234G90.6Very high93.2Very high52 Ų5246.4 Ų46.454%0.53625%0.246SC..THydrogen-bonded Turntrans72.822.4-172.300000114.7Q232 K255Q232-G234 PolarHBondContact O-N 2.9Å; G234-K255 PolarHBondContact O-NZ 3.29Å
235A95Very high93.1Very high24 Ų2457.8 Ų57.820%0.19829%0.289CS..  trans-66.1152164.700000111.8L215 P231 Q232 F233 Y254 K255 Q256L215-A235 HydrophobicContact CD1-CB 3.63Å; P231-A235 HydrophobicContact CB-CB 3.76Å; Q232-A235 WeakPolarHBondContact O-CB 3.45Å; Q232-A235 PolarHBondContact O-N 3.25Å; F233-A235 VanDerWaalsContact C-N 3.35Å; A235-Y254 HydrophobicContact CB-CE2 4.48Å; A235-K255 CarbonylContact C-O 3.49Å; A235-K255 WeakPolarHBondContact CA-O 3.31Å; A235-Q256 WeakPolarHBondContact CB-O 3.5Å
236C94.9Very high92.8Very high49 Ų4960.3 Ų60.333%0.33132%0.315SS..EExtended strand (participates in β ladder)trans-157.1138.6179.2-179.40000110.6Y254 K255C236-Y254 WeakPolarHBondContact O-CD2 3.32Å; C236-K255 PolarHBondContact N-O 2.79Å; C236-K255 PolarHBondContact O-N 3.23Å
237I95.9Very high92.8Very high25 Ų2566.9 Ų66.913%0.12835%0.346CS..EExtended strand (participates in β ladder)trans-104.3134.8164.5-69.9169.7000107.4L215 L218 L219 W222 V239 V252 W253 Y254L215-I237 HydrophobicContact CB-CD1 3.94Å; L215-I237 HydrophobicContact CD2-CB 4.2Å; L215-I237 HydrophobicContact CD2-CD1 3.89Å; L215-I237 HydrophobicContact CD2-CG1 3.98Å; L215-I237 WeakPolarHBondContact O-CD1 3.1Å; L218-I237 HydrophobicContact CB-CD1 4.02Å; L218-I237 HydrophobicContact CD1-CD1 4.21Å; L219-I237 HydrophobicContact CD1-CD1 4.36Å; L219-I237 HydrophobicContact CD2-CD1 4.22Å; L219-I237 HydrophobicContact CG-CD1 3.9Å; W222-I237 HydrophobicContact CH2-CG2 3.78Å; W222-I237 HydrophobicContact CZ3-CD1 4.31Å; W222-I237 HydrophobicContact CZ3-CG2 3.7Å; I237-V239 HydrophobicContact CG2-CG2 4.05Å; I237-V252 HydrophobicContact CG2-CG1 4.21Å; I237-W253 WeakPolarHBondContact CA-O 3.45Å; I237-Y254 HydrophobicContact CD1-CD2 4.48Å; I237-Y254 HydrophobicContact CG1-CD2 3.6Å; I237-Y254 HydrophobicContact CG1-CE2 4.23Å; I237-Y254 HydrophobicContact CG1-CG 4.35Å
238M95.2Very high92.9Very high24 Ų2469 Ų6912%0.11835%0.352CS..EExtended strand (participates in β ladder)trans-121.3125179.4-63.7163.3-70.200108W9 V252 W253 K255 P262W9-M238 HydrophobicContact CH2-CB 4.47Å; W9-M238 HydrophobicContact CH2-CG 3.67Å; W9-M238 HydrophobicContact CH2-SD 3.39Å; W9-M238 WeakPolarHBondContact CH2-SD 3.3Å; W9-M238 HydrophobicContact CZ2-CB 3.97Å; W9-M238 HydrophobicContact CZ2-CG 3.64Å; W9-M238 HydrophobicContact CZ2-SD 3.41Å; W9-M238 WeakPolarHBondContact CZ2-SD 3.47Å; M238-V252 WeakPolarHBondContact O-CA 3.45Å; M238-W253 HydrophobicContact CB-CB 4.32Å; M238-W253 HydrophobicContact CE-CB 3.9Å; M238-W253 PolarHBondContact N-O 3.18Å; M238-W253 PolarHBondContact O-N 3.2Å; M238-K255 HydrophobicContact CE-CB 4.27Å; M238-P262 HydrophobicContact CE-CB 3.62Å; M238-P262 HydrophobicContact CE-CG 4.16Å
239V96.7Very high93.2Very high38 Ų3864.4 Ų64.423%0.2333%0.331CS..EExtended strand (participates in β ladder)trans-118.2113.2-179.6-172.30000107.2I186 L190 W222 I237 V250 V252 F279I186-V239 HydrophobicContact CG2-CB 4.18Å; I186-V239 HydrophobicContact CG2-CG1 3.95Å; I186-V239 HydrophobicContact CG2-CG2 4.3Å; L190-V239 HydrophobicContact CD1-CG1 3.77Å; W222-V239 HydrophobicContact CH2-CG2 3.85Å; W222-V239 HydrophobicContact CZ2-CG2 4.36Å; I237-V239 HydrophobicContact CG2-CG2 4.05Å; V239-V250 HydrophobicContact CG1-CG1 3.49Å; V239-V250 VanDerWaalsContact CG1-CG1 3.49Å; V239-V252 HydrophobicContact CG1-CG2 4.23Å; V239-V252 HydrophobicContact CG2-CG2 4.43Å; V239-F279 HydrophobicContact CG1-CE1 4.42Å; V239-F279 HydrophobicContact CG1-CE2 4.39Å; V239-F279 HydrophobicContact CG1-CZ 3.77Å
240E94.7Very high93.4Very high37 Ų3764.3 Ų64.317%0.17333%0.331CS..EExtended strand (participates in β ladder)trans-113.8130.8-168.6-57.2179.315200110.7W9 H242 V250 Q251 W253W9-E240 PolarHBondContact NE1-OE1 3.14Å; E240-H242 WeakPolarHBondContact CB-NE2 3.1Å; E240-H242 IonicContact OE2-CD2 3.24Å; E240-H242 IonicContact OE2-CE1 3.12Å; E240-H242 IonicContact OE2-NE2 2.79Å; E240-H242 PolarHBondContact OE2-NE2 3.49Å; E240-V250 WeakPolarHBondContact O-CA 3.41Å; E240-Q251 HydrophobicContact CB-CB 4.46Å; E240-Q251 PolarHBondContact N-O 2.82Å; E240-Q251 PolarHBondContact O-N 3.34Å; E240-W253 PolarHBondContact OE2-NE1 2.7Å
241L94.4Very high93.6Very high50 Ų5064.9 Ų64.926%0.26233%0.333SS..EExtended strand (participates in β ladder)trans-96.4111.2174.1-179.964.3000110.4L190 A193 A194 Y248 V250 L276L190-L241 HydrophobicContact CB-CD2 4.44Å; L190-L241 HydrophobicContact CD1-CB 4.48Å; L190-L241 HydrophobicContact CD2-CB 4.07Å; L190-L241 WeakPolarHBondContact O-CD2 3.41Å; A193-L241 HydrophobicContact CB-CD2 4.04Å; A194-L241 HydrophobicContact CB-CD2 4.2Å; L241-Y248 HydrophobicContact CD1-CD1 3.9Å; L241-Y248 HydrophobicContact CD1-CG 4.47Å; L241-Y248 HydrophobicContact CD2-CD1 4.18Å; L241-Y248 HydrophobicContact CD2-CE1 4.47Å; L241-Y248 HydrophobicContact CG-CD1 4.04Å; L241-V250 HydrophobicContact CD1-CG2 4.48Å; L241-L276 HydrophobicContact CD1-CD1 4.23Å; L241-L276 HydrophobicContact CD1-CD2 4.12Å
242H92.3Very high93.8Very high61 Ų6164.2 Ų64.228%0.28233%0.328SS..EExtended strand (participates in β ladder)trans-107.1140-179.6-68.9-99.5000110.8E240 I244 Y248 V249E240-H242 WeakPolarHBondContact CB-NE2 3.1Å; E240-H242 IonicContact OE2-CD2 3.24Å; E240-H242 IonicContact OE2-CE1 3.12Å; E240-H242 IonicContact OE2-NE2 2.79Å; E240-H242 PolarHBondContact OE2-NE2 3.49Å; H242-I244 HydrophobicContact CB-CD1 4.24Å; H242-I244 HydrophobicContact CB-CG1 4.08Å; H242-Y248 WeakPolarHBondContact O-CA 3.36Å; H242-V249 HydrophobicContact CB-CG2 3.97Å; H242-V249 PolarHBondContact N-O 2.96Å; H242-V249 PolarHBondContact O-N 3.21Å
243K91.4Very high94Very high128 Ų12862.7 Ų62.756%0.55732%0.318SS*.EExtended strand (participates in β ladder)trans-105.195.5172.3-165.7171-165.6160.60110.7G246 Q247 Y248K243-G246 VanDerWaalsContact CE-O 3.24Å; K243-G246 WeakPolarHBondContact CE-O 3.24Å; K243-Q247 CarbonylContact C-O 3.55Å; K243-Q247 WeakPolarHBondContact CA-O 3.44Å; K243-Y248 HydrophobicContact CB-CD1 4.3Å; K243-Y248 HydrophobicContact CB-CE1 4.19Å; K243-Y248 HydrophobicContact CD-CE1 3.93Å; K243-Y248 HydrophobicContact CD-CE2 4.04Å; K243-Y248 HydrophobicContact CG-CD1 4.39Å; K243-Y248 HydrophobicContact CG-CE1 4.2Å; K243-Y248 HydrophobicContact CG-CE2 4.49Å; K243-Y248 PolarHBondContact NZ-OH 2.85Å
244I91Very high94.3Very high64 Ų6455.8 Ų55.833%0.32829%0.288SS..EExtended strand (participates in β ladder)trans-108.1121.5-173.9-56.3-174.8000109.4H242 G246 Q247 V249H242-I244 HydrophobicContact CB-CD1 4.24Å; H242-I244 HydrophobicContact CB-CG1 4.08Å; I244-G246 PolarHBondContact O-N 2.86Å; I244-G246 VanDerWaalsContact O-N 3.15Å; I244-Q247 PolarHBondContact N-O 2.96Å; I244-Q247 PolarHBondContact O-N 2.86Å; I244-V249 HydrophobicContact CD1-CG2 3.79Å; I244-V249 HydrophobicContact CG1-CG2 4.03Å
245R91.1Very high94.6Very high246 Ų24655.8 Ų55.893%0.92827%0.273SS*.THydrogen-bonded Turntrans51.335.9-178.8-61177.1178.6173.9-1.5113.3Q247R245-Q247 VanDerWaalsContact C-N 3.3Å; R245-Q247 PolarHBondContact O-N 3.45Å
246G89Confident94.5Very high54 Ų5455.2 Ų55.256%0.55727%0.266SS*.THydrogen-bonded Turntrans87.1-21.4-178.200000115.3K243 I244K243-G246 VanDerWaalsContact CE-O 3.24Å; K243-G246 WeakPolarHBondContact CE-O 3.24Å; I244-G246 PolarHBondContact O-N 2.86Å; I244-G246 VanDerWaalsContact O-N 3.15Å
247Q92.8Very high94.2Very high145 Ų14552.9 Ų52.968%0.67825%0.251SS*.EExtended strand (participates in β ladder)trans-85.3148.2178.9-65.5178.8-28.800111.7K243 I244 R245K243-Q247 CarbonylContact C-O 3.55Å; K243-Q247 WeakPolarHBondContact CA-O 3.44Å; I244-Q247 PolarHBondContact N-O 2.96Å; I244-Q247 PolarHBondContact O-N 2.86Å; R245-Q247 VanDerWaalsContact C-N 3.3Å; R245-Q247 PolarHBondContact O-N 3.45Å
248Y95.4Very high93.5Very high56 Ų5657.9 Ų57.922%0.2227%0.273CS..EExtended strand (participates in β ladder)trans-94.3127.1175.1-73.2-86.7000110.7A194 L241 H242 K243 L276A194-Y248 HydrophobicContact CB-CD1 3.81Å; A194-Y248 HydrophobicContact CB-CD2 4.07Å; A194-Y248 HydrophobicContact CB-CE1 3.89Å; A194-Y248 HydrophobicContact CB-CE2 4.17Å; A194-Y248 HydrophobicContact CB-CG 3.89Å; A194-Y248 PolarHBondContact O-OH 3.45Å; L241-Y248 HydrophobicContact CD1-CD1 3.9Å; L241-Y248 HydrophobicContact CD1-CG 4.47Å; L241-Y248 HydrophobicContact CD2-CD1 4.18Å; L241-Y248 HydrophobicContact CD2-CE1 4.47Å; L241-Y248 HydrophobicContact CG-CD1 4.04Å; H242-Y248 WeakPolarHBondContact O-CA 3.36Å; K243-Y248 HydrophobicContact CB-CD1 4.3Å; K243-Y248 HydrophobicContact CB-CE1 4.19Å; K243-Y248 HydrophobicContact CD-CE1 3.93Å; K243-Y248 HydrophobicContact CD-CE2 4.04Å; K243-Y248 HydrophobicContact CG-CD1 4.39Å; K243-Y248 HydrophobicContact CG-CE1 4.2Å; K243-Y248 HydrophobicContact CG-CE2 4.49Å; K243-Y248 PolarHBondContact NZ-OH 2.85Å; Y248-L276 PolarHBondContact O-N 3.49Å; Y248-L276 VanDerWaalsContact O-N 3.15Å
249V96.5Very high92.5Very high13 Ų1366.1 Ų66.18%0.07930%0.304CS..EExtended strand (participates in β ladder)trans-133.8144.8179.1-590000110.6H242 I244 N273 C274H242-V249 HydrophobicContact CB-CG2 3.97Å; H242-V249 PolarHBondContact N-O 2.96Å; H242-V249 PolarHBondContact O-N 3.21Å; I244-V249 HydrophobicContact CD1-CG2 3.79Å; I244-V249 HydrophobicContact CG1-CG2 4.03Å; V249-N273 HydrophobicContact CB-CB 3.96Å; V249-N273 HydrophobicContact CG1-CB 4.2Å; V249-N273 HydrophobicContact CG2-CB 3.89Å; V249-C274 CarbonylContact C-O 3.58Å; V249-C274 WeakPolarHBondContact CA-O 3.5Å
250V97.4Very high91.6Very high1 Ų168.5 Ų68.51%0.00631%0.312CS..EExtended strand (participates in β ladder)trans-98.7129177.4-174.90000109.3L190 V239 E240 L241 V252 C274 L276 F279L190-V250 HydrophobicContact CD1-CG1 3.99Å; L190-V250 HydrophobicContact CD1-CG2 3.82Å; V239-V250 HydrophobicContact CG1-CG1 3.49Å; V239-V250 VanDerWaalsContact CG1-CG1 3.49Å; E240-V250 WeakPolarHBondContact O-CA 3.41Å; L241-V250 HydrophobicContact CD1-CG2 4.48Å; V250-V252 HydrophobicContact CG1-CG2 4.25Å; V250-C274 PolarHBondContact N-O 3.29Å; V250-C274 PolarHBondContact O-N 3.25Å; V250-L276 HydrophobicContact CG2-CD1 3.83Å; V250-F279 HydrophobicContact CB-CB 4.48Å; V250-F279 HydrophobicContact CB-CD2 4.14Å; V250-F279 HydrophobicContact CB-CG 4.19Å; V250-F279 HydrophobicContact CG1-CD2 3.95Å; V250-F279 HydrophobicContact CG1-CE1 4.39Å; V250-F279 HydrophobicContact CG1-CE2 3.84Å; V250-F279 HydrophobicContact CG1-CG 4.28Å; V250-F279 HydrophobicContact CG1-CZ 4.06Å; V250-F279 HydrophobicContact CG2-CB 4Å; V250-F279 HydrophobicContact CG2-CD1 3.99Å; V250-F279 HydrophobicContact CG2-CD2 4.31Å; V250-F279 HydrophobicContact CG2-CG 3.86Å
251Q97Very high91.2Very high38 Ų3868.1 Ų68.118%0.17832%0.318CS..EExtended strand (participates in β ladder)trans-106.7141.7164.9-65.2-171.84.600109.1E240 N273E240-Q251 HydrophobicContact CB-CB 4.46Å; E240-Q251 PolarHBondContact N-O 2.82Å; E240-Q251 PolarHBondContact O-N 3.34Å; Q251-N273 PolarHBondContact NE2-OD1 2.68Å
252V97.2Very high91.1Very high4 Ų466.9 Ų66.92%0.02431%0.313CS..EExtended strand (participates in β ladder)trans-121.7132.7175.8-177.70000109.3W222 I237 M238 V239 V250 P264 V265 I267 F279W222-V252 HydrophobicContact CE3-CG1 3.92Å; W222-V252 HydrophobicContact CH2-CG1 3.89Å; W222-V252 HydrophobicContact CH2-CG2 4.47Å; W222-V252 HydrophobicContact CZ3-CG1 3.44Å; W222-V252 VanDerWaalsContact CZ3-CG1 3.44Å; I237-V252 HydrophobicContact CG2-CG1 4.21Å; M238-V252 WeakPolarHBondContact O-CA 3.45Å; V239-V252 HydrophobicContact CG1-CG2 4.23Å; V239-V252 HydrophobicContact CG2-CG2 4.43Å; V250-V252 HydrophobicContact CG1-CG2 4.25Å; V252-P264 CarbonylContact O-C 3.47Å; V252-P264 WeakPolarHBondContact O-CA 3.28Å; V252-V265 HydrophobicContact CB-CB 3.97Å; V252-V265 HydrophobicContact CB-CG1 4.42Å; V252-V265 HydrophobicContact CG1-CB 3.7Å; V252-V265 HydrophobicContact CG1-CG1 4.09Å; V252-V265 HydrophobicContact CG1-CG2 4.05Å; V252-V265 PolarHBondContact O-N 3.39Å; V252-I267 HydrophobicContact CG2-CD1 3.87Å; V252-I267 HydrophobicContact CG2-CG1 4.28Å; V252-F279 HydrophobicContact CG2-CE2 4.39Å
253W96.5Very high91.1Very high63 Ų6364.5 Ų64.524%0.23930%0.302CS..EExtended strand (participates in β ladder)trans-126.1139.8177-57.988.4000110.1I237 M238 E240 P262 F263 P264I237-W253 WeakPolarHBondContact CA-O 3.45Å; M238-W253 HydrophobicContact CB-CB 4.32Å; M238-W253 HydrophobicContact CE-CB 3.9Å; M238-W253 PolarHBondContact N-O 3.18Å; M238-W253 PolarHBondContact O-N 3.2Å; E240-W253 PolarHBondContact OE2-NE1 2.7Å; W253-P262 HydrophobicContact CB-CB 4.39Å; W253-F263 WeakPolarHBondContact CA-O 3.49Å; W253-P264 HydrophobicContact CD2-CB 4.25Å; W253-P264 HydrophobicContact CE3-CB 3.85Å; W253-P264 HydrophobicContact CE3-CG 4.43Å; W253-P264 HydrophobicContact CH2-CB 4.34Å; W253-P264 HydrophobicContact CZ3-CB 3.91Å; W253-P264 HydrophobicContact CZ3-CG 4.13Å
254Y96.4Very high91.3Very high0 Ų059.9 Ų59.90%028%0.284CS..EExtended strand (participates in β ladder)trans-120.5128.8174.6178.2-137.7000110.4L219 L229 P231 A235 C236 I237 Q256 P262 F263L219-Y254 HydrophobicContact CD1-CD1 3.87Å; L219-Y254 HydrophobicContact CD1-CD2 4.38Å; L219-Y254 HydrophobicContact CD1-CE1 3.63Å; L219-Y254 HydrophobicContact CD1-CE2 4.17Å; L219-Y254 HydrophobicContact CD1-CG 4.26Å; L219-Y254 HydrophobicContact CD2-CD1 4.25Å; L219-Y254 HydrophobicContact CD2-CG 4.28Å; L229-Y254 HydrophobicContact CB-CE1 4.13Å; L229-Y254 HydrophobicContact CD2-CE1 4.38Å; L229-Y254 WeakPolarHBondContact O-CE1 3.5Å; L229-Y254 PolarHBondContact O-OH 3.03Å; P231-Y254 WeakPolarHBondContact CA-OH 3.39Å; P231-Y254 WeakPolarHBondContact CG-OH 3.46Å; A235-Y254 HydrophobicContact CB-CE2 4.48Å; C236-Y254 WeakPolarHBondContact O-CD2 3.32Å; I237-Y254 HydrophobicContact CD1-CD2 4.48Å; I237-Y254 HydrophobicContact CG1-CD2 3.6Å; I237-Y254 HydrophobicContact CG1-CE2 4.23Å; I237-Y254 HydrophobicContact CG1-CG 4.35Å; Y254-Q256 HydrophobicContact CE1-CB 3.92Å; Y254-Q256 HydrophobicContact CE1-CG 4.23Å; Y254-P262 WeakPolarHBondContact O-CA 3.42Å; Y254-F263 HydrophobicContact CD1-CE1 4.47Å; Y254-F263 AromaticContact CD1-CE2 3.78Å; Y254-F263 HydrophobicContact CD1-CE2 3.78Å; Y254-F263 AromaticContact CD1-CZ 3.45Å; Y254-F263 HydrophobicContact CD1-CZ 3.45Å; Y254-F263 VanDerWaalsContact CD1-CZ 3.45Å; Y254-F263 HydrophobicContact CE1-CZ 4.13Å; Y254-F263 HydrophobicContact CG-CE2 4.38Å; Y254-F263 HydrophobicContact CG-CZ 4.16Å; Y254-F263 PolarHBondContact N-O 3.37Å; Y254-F263 WeakPolarHBondContact O-CD1 3.31Å; Y254-F263 WeakPolarHBondContact O-CE1 3.18Å; Y254-F263 PolarHBondContact O-N 3.26Å
255K95.1Very high91.5Very high52 Ų5257 Ų5723%0.22627%0.27CS..EExtended strand (participates in β ladder)trans-112.5103.8172.3176.7-175.9174.8-64.30106.9G234 A235 C236 M238 G257 K260 P262G234-K255 PolarHBondContact O-NZ 3.29Å; A235-K255 CarbonylContact C-O 3.49Å; A235-K255 WeakPolarHBondContact CA-O 3.31Å; C236-K255 PolarHBondContact N-O 2.79Å; C236-K255 PolarHBondContact O-N 3.23Å; M238-K255 HydrophobicContact CE-CB 4.27Å; K255-G257 VanDerWaalsContact C-N 3.28Å; K255-G257 PolarHBondContact NZ-O 2.93Å; K255-G257 PolarHBondContact O-N 2.9Å; K255-K260 WeakPolarHBondContact CG-O 3.43Å; K255-P262 HydrophobicContact CB-CB 4.2Å
256Q93.2Very high91.7Very high11 Ų1149 Ų495%0.05124%0.242CC..  trans-69.3-17.2-172.4-176.2-178.11200115E228 L229 D230 Q232 A235 Y254 K260E228-Q256 PolarHBondContact O-NE2 3.07Å; E228-Q256 PolarHBondContact O-OE1 3.12Å; L229-Q256 VanDerWaalsContact C-NE2 3.3Å; D230-Q256 WeakPolarHBondContact O-CG 3.5Å; D230-Q256 PolarHBondContact O-NE2 2.71Å; Q232-Q256 WeakPolarHBondContact CB-O 3.47Å; Q232-Q256 PolarHBondContact N-O 2.67Å; A235-Q256 WeakPolarHBondContact CB-O 3.5Å; Y254-Q256 HydrophobicContact CE1-CB 3.92Å; Y254-Q256 HydrophobicContact CE1-CG 4.23Å; Q256-K260 HydrophobicContact CB-CD 4.2Å
257G90.2Very high92Very high0 Ų046.7 Ų46.70%022%0.217CC..SBendtrans179-173.9-177.400000112.4K255K255-G257 VanDerWaalsContact C-N 3.28Å; K255-G257 PolarHBondContact NZ-O 2.93Å; K255-G257 PolarHBondContact O-N 2.9Å
258H80Confident92Very high131 Ų13144.9 Ų44.961%0.60621%0.207SC*.THydrogen-bonded Turntrans-57.3-51.3180-175.5-99.2000113.5F233 K260F233-H258 PolarHBondContact O-N 3.39Å; H258-K260 PolarHBondContact O-N 3.46Å
259Y75.2Confident91.8Very high196 Ų19648.1 Ų48.177%0.76923%0.228SC*.THydrogen-bonded Turntrans-86-2.6-169.8-52.6-75.6000115.4
260K77.8Confident91.6Very high89 Ų8947.8 Ų47.839%0.38723%0.226SC..SBendtrans-107.8129.5177.4-63.3-174.1-172.8-177.90109.1K255 Q256 H258K255-K260 WeakPolarHBondContact CG-O 3.43Å; Q256-K260 HydrophobicContact CB-CD 4.2Å; H258-K260 PolarHBondContact O-N 3.46Å
261G86Confident91.3Very high29 Ų2953.2 Ų53.230%0.29926%0.255SS..  trans-70.215517100000111.6
262P91.3Very high91.1Very high24 Ų2454.8 Ų54.816%0.15626%0.263CS..  trans-58.1144.3172.121.1-32.6000113M238 W253 Y254 K255M238-P262 HydrophobicContact CE-CB 3.62Å; M238-P262 HydrophobicContact CE-CG 4.16Å; W253-P262 HydrophobicContact CB-CB 4.39Å; Y254-P262 WeakPolarHBondContact O-CA 3.42Å; K255-P262 HydrophobicContact CB-CB 4.2Å
263F92.9Very high91Very high11 Ų1157.8 Ų57.85%0.04828%0.279CS..EExtended strand (participates in β ladder)trans-130.7153.2170.851.1-92.9000109.2F224 L229 W253 Y254 V589 A592F224-F263 HydrophobicContact CE1-CE2 4.22Å; L229-F263 HydrophobicContact CD2-CE2 4.09Å; L229-F263 HydrophobicContact CD2-CZ 3.69Å; W253-F263 WeakPolarHBondContact CA-O 3.49Å; Y254-F263 HydrophobicContact CD1-CE1 4.47Å; Y254-F263 AromaticContact CD1-CE2 3.78Å; Y254-F263 HydrophobicContact CD1-CE2 3.78Å; Y254-F263 AromaticContact CD1-CZ 3.45Å; Y254-F263 HydrophobicContact CD1-CZ 3.45Å; Y254-F263 VanDerWaalsContact CD1-CZ 3.45Å; Y254-F263 HydrophobicContact CE1-CZ 4.13Å; Y254-F263 HydrophobicContact CG-CE2 4.38Å; Y254-F263 HydrophobicContact CG-CZ 4.16Å; Y254-F263 PolarHBondContact N-O 3.37Å; Y254-F263 WeakPolarHBondContact O-CD1 3.31Å; Y254-F263 WeakPolarHBondContact O-CE1 3.18Å; Y254-F263 PolarHBondContact O-N 3.26Å; F263-V589 HydrophobicContact CD1-CG2 4.23Å; F263-V589 HydrophobicContact CD2-CG2 4.37Å; F263-V589 HydrophobicContact CG-CG2 4.13Å; F263-A592 HydrophobicContact CB-CB 3.97Å
264P94.8Very high91.1Very high30 Ų3055 Ų5520%0.19527%0.269CS..EExtended strand (participates in β ladder)trans-81.8137.4-173.134.1-35.5000111.3V252 W253 M272V252-P264 CarbonylContact O-C 3.47Å; V252-P264 WeakPolarHBondContact O-CA 3.28Å; W253-P264 HydrophobicContact CD2-CB 4.25Å; W253-P264 HydrophobicContact CE3-CB 3.85Å; W253-P264 HydrophobicContact CE3-CG 4.43Å; W253-P264 HydrophobicContact CH2-CB 4.34Å; W253-P264 HydrophobicContact CZ3-CB 3.91Å; W253-P264 HydrophobicContact CZ3-CG 4.13Å; P264-M272 HydrophobicContact CB-CE 3.67Å; P264-M272 HydrophobicContact CG-CE 4.03Å
265V95.8Very high91.1Very high4 Ų457.6 Ų57.62%0.02429%0.286CS..  trans-88.4128.3175.9169.90000108.3L219 W222 F224 V252L219-V265 HydrophobicContact CD2-CG2 4.02Å; W222-V265 HydrophobicContact CE3-CG1 4.13Å; F224-V265 HydrophobicContact CB-CG1 3.95Å; F224-V265 HydrophobicContact CD1-CB 4.4Å; F224-V265 HydrophobicContact CD1-CG1 4.02Å; F224-V265 HydrophobicContact CD1-CG2 4.04Å; F224-V265 HydrophobicContact CD2-CG1 4.02Å; F224-V265 HydrophobicContact CE1-CB 4.48Å; F224-V265 HydrophobicContact CE1-CG2 4.06Å; F224-V265 HydrophobicContact CG-CB 4.49Å; F224-V265 HydrophobicContact CG-CG1 3.73Å; V252-V265 HydrophobicContact CB-CB 3.97Å; V252-V265 HydrophobicContact CB-CG1 4.42Å; V252-V265 HydrophobicContact CG1-CB 3.7Å; V252-V265 HydrophobicContact CG1-CG1 4.09Å; V252-V265 HydrophobicContact CG1-CG2 4.05Å; V252-V265 PolarHBondContact O-N 3.39Å
266K95Very high91.2Very high79 Ų7955.5 Ų55.534%0.34328%0.277SS..  trans-93.9103.2171.1-172.6174.7-176170.10108.5F224 K268 C270 D271 M272F224-K266 WeakPolarHBondContact CD2-O 3.37Å; F224-K266 HydrophobicContact CE2-CB 4.26Å; F224-K266 VanDerWaalsContact CE2-N 3.32Å; K266-K268 PolarHBondContact O-N 3.4Å; K266-C270 WeakPolarHBondContact CE-O 3.17Å; K266-D271 IonicContact NZ-OD1 2.66Å; K266-D271 PolarHBondContact NZ-OD1 3.07Å; K266-M272 HydrophobicContact CB-CE 4.1Å; K266-M272 HydrophobicContact CB-SD 3.73Å; K266-M272 HydrophobicContact CD-SD 4.08Å; K266-M272 HydrophobicContact CG-SD 3.83Å
267I95.6Very high91.3Very high5 Ų561.2 Ų61.23%0.02630%0.304CS..  trans-59.9134.3170.9-54177.1000108.6W222 V252 D269 C270 C274 F279 L282W222-I267 HydrophobicContact CB-CB 4.42Å; W222-I267 HydrophobicContact CB-CG1 4.18Å; W222-I267 HydrophobicContact CB-CG2 4.19Å; W222-I267 HydrophobicContact CD2-CG1 4.42Å; W222-I267 HydrophobicContact CG-CD1 4.45Å; W222-I267 HydrophobicContact CG-CG1 3.98Å; W222-I267 HydrophobicContact CG-CG2 4.26Å; V252-I267 HydrophobicContact CG2-CD1 3.87Å; V252-I267 HydrophobicContact CG2-CG1 4.28Å; I267-D269 PolarHBondContact O-N 2.71Å; I267-C270 HydrophobicContact CB-CB 4.17Å; I267-C270 PolarHBondContact O-N 3.41Å; I267-C270 VanDerWaalsContact O-N 3.15Å; I267-C274 HydrophobicContact CD1-CB 4.36Å; I267-F279 HydrophobicContact CD1-CD2 3.51Å; I267-F279 HydrophobicContact CD1-CE2 3.57Å; I267-L282 HydrophobicContact CG2-CD2 3.54Å
268K93Very high91.6Very high106 Ų10665.8 Ų65.846%0.46132%0.324SS..THydrogen-bonded Turntrans-47.7139176.1-161-169.2175.6173.20112.7W222 D223 K266 C270W222-K268 PolarHBondContact O-N 2.84Å; W222-K268 VanDerWaalsContact O-N 3.1Å; D223-K268 HydrophobicContact CB-CB 3.71Å; D223-K268 HydrophobicContact CB-CD 3.75Å; D223-K268 HydrophobicContact CB-CG 3.97Å; K266-K268 PolarHBondContact O-N 3.4Å; K268-C270 PolarHBondContact O-N 3.45Å
269D90.7Very high92.3Very high125 Ų12559.6 Ų59.667%0.66830%0.295SS*.THydrogen-bonded Turntrans57.81.8179.4-51.8-43.5000115.4I267 K278I267-D269 PolarHBondContact O-N 2.71Å; D269-K278 PolarHBondContact O-NZ 3.38Å
270C92.9Very high93.3Very high6 Ų650.9 Ų50.94%0.04126%0.262CS..SBendtrans-105.3158.5172.6-116.50000110.7K266 I267 K268 C274K266-C270 WeakPolarHBondContact CE-O 3.17Å; I267-C270 HydrophobicContact CB-CB 4.17Å; I267-C270 PolarHBondContact O-N 3.41Å; I267-C270 VanDerWaalsContact O-N 3.15Å; K268-C270 PolarHBondContact O-N 3.45Å; C270-C274 HydrophobicContact CB-CB 3.66Å; C270-C274 WeakPolarHBondContact CB-SG 3.3Å; C270-C274 WeakPolarHBondContact SG-CA 3.19Å; C270-C274 WeakPolarHBondContact SG-CB 3.33Å; C270-C274 CovalentContact SG-SG 2.04Å; C270-C274 PolarHBondContact SG-SG 2.8Å
271D91.9Very high94.1Very high115 Ų11552.5 Ų52.562%0.61527%0.269SS*.  trans-87176.1164.2-78.8-43.9000111.3K266 N273 C274K266-D271 IonicContact NZ-OD1 2.66Å; K266-D271 PolarHBondContact NZ-OD1 3.07Å; D271-N273 CarbonylContact O-C 3.48Å; D271-N273 PolarHBondContact O-N 3.2Å; D271-N273 VanDerWaalsContact O-N 3.1Å; D271-C274 PolarHBondContact O-N 3.02Å
272M92.8Very high94.4Very high70 Ų7053 Ų5335%0.34527%0.265SS..SBendtrans-59.8-24.1-176.8-51.3-49.2-53.600113.4P264 K266P264-M272 HydrophobicContact CB-CE 3.67Å; P264-M272 HydrophobicContact CG-CE 4.03Å; K266-M272 HydrophobicContact CB-CE 4.1Å; K266-M272 HydrophobicContact CB-SD 3.73Å; K266-M272 HydrophobicContact CD-SD 4.08Å; K266-M272 HydrophobicContact CG-SD 3.83Å
273N94.8Very high94.5Very high68 Ų6851.9 Ų51.936%0.36426%0.258SS..SBendtrans-103.187.9165.5-71.1-18.4000107.2V249 Q251 D271 P275V249-N273 HydrophobicContact CB-CB 3.96Å; V249-N273 HydrophobicContact CG1-CB 4.2Å; V249-N273 HydrophobicContact CG2-CB 3.89Å; Q251-N273 PolarHBondContact NE2-OD1 2.68Å; D271-N273 CarbonylContact O-C 3.48Å; D271-N273 PolarHBondContact O-N 3.2Å; D271-N273 VanDerWaalsContact O-N 3.1Å; N273-P275 WeakPolarHBondContact O-CD 3.33Å
274C97.2Very high94.3Very high3 Ų355.6 Ų55.62%0.0228%0.275CS..EExtended strand (participates in β ladder)trans-78.1122-177.2-171.70000109.4V249 V250 I267 C270 D271 L276V249-C274 CarbonylContact C-O 3.58Å; V249-C274 WeakPolarHBondContact CA-O 3.5Å; V250-C274 PolarHBondContact N-O 3.29Å; V250-C274 PolarHBondContact O-N 3.25Å; I267-C274 HydrophobicContact CD1-CB 4.36Å; C270-C274 HydrophobicContact CB-CB 3.66Å; C270-C274 WeakPolarHBondContact CB-SG 3.3Å; C270-C274 WeakPolarHBondContact SG-CA 3.19Å; C270-C274 WeakPolarHBondContact SG-CB 3.33Å; C270-C274 CovalentContact SG-SG 2.04Å; C270-C274 PolarHBondContact SG-SG 2.8Å; D271-C274 PolarHBondContact O-N 3.02Å; C274-L276 PolarHBondContact O-N 2.92Å
275P96.9Very high93.9Very high56 Ų5660 Ų6036%0.36429%0.293SS..EExtended strand (participates in β ladder)trans-56.8136179.3-25.835.4000111.3N273 E277 K278 F279N273-P275 WeakPolarHBondContact O-CD 3.33Å; P275-E277 PolarHBondContact O-N 2.66Å; P275-K278 HydrophobicContact CB-CB 4.34Å; P275-K278 WeakPolarHBondContact O-CA 3.32Å; P275-K278 WeakPolarHBondContact O-CB 3.36Å; P275-K278 PolarHBondContact O-N 2.69Å; P275-F279 PolarHBondContact O-N 3.36Å
276L96.9Very high93.3Very high8 Ų862.1 Ų62.14%0.04230%0.304CS..Hα-helixtrans-57.4-39.2-173.3176.962.1000112.2L190 A194 L241 Y248 V250 C274 K278 F279 V280L190-L276 HydrophobicContact CB-CD1 3.78Å; A194-L276 HydrophobicContact CB-CD2 3.3Å; L241-L276 HydrophobicContact CD1-CD1 4.23Å; L241-L276 HydrophobicContact CD1-CD2 4.12Å; Y248-L276 PolarHBondContact O-N 3.49Å; Y248-L276 VanDerWaalsContact O-N 3.15Å; V250-L276 HydrophobicContact CG2-CD1 3.83Å; C274-L276 PolarHBondContact O-N 2.92Å; L276-K278 PolarHBondContact O-N 2.93Å; L276-F279 WeakPolarHBondContact O-CB 3.33Å; L276-F279 PolarHBondContact O-N 3.45Å; L276-V280 HydrophobicContact CD1-CG2 4.14Å; L276-V280 HydrophobicContact CG-CG2 4.43Å; L276-V280 WeakPolarHBondContact O-CG2 3.48Å; L276-V280 PolarHBondContact O-N 3.46Å
277E95.7Very high92.3Very high131 Ų13159.5 Ų59.561%0.61230%0.296SS*.Hα-helixtrans-63.3-33178.3-53.574.5-163.300111.5P275 K281P275-E277 PolarHBondContact O-N 2.66Å; E277-K281 VanDerWaalsContact O-CB 3.29Å; E277-K281 WeakPolarHBondContact O-CB 3.44Å; E277-K281 PolarHBondContact O-N 3.46Å; E277-K281 VanDerWaalsContact O-N 3.12Å
278K95.9Very high90.3Very high96 Ų9663.7 Ų63.742%0.41733%0.326SS..Hα-helixtrans-78.1-35.9175.6-174.4164.1-178.6172.40112D269 P275 L276 L282D269-K278 PolarHBondContact O-NZ 3.38Å; P275-K278 HydrophobicContact CB-CB 4.34Å; P275-K278 WeakPolarHBondContact O-CA 3.32Å; P275-K278 WeakPolarHBondContact O-CB 3.36Å; P275-K278 PolarHBondContact O-N 2.69Å; L276-K278 PolarHBondContact O-N 2.93Å; K278-L282 WeakPolarHBondContact O-CB 3.43Å; K278-L282 PolarHBondContact O-N 3.47Å
279F96.3Very high88.6Confident0 Ų060.5 Ų60.50%031%0.313CS..Hα-helixtrans-63.4-47.4173.9-174.4-98.2000111.4F183 I186 A187 L190 W222 V239 V250 V252 I267 P275 L276 L282 A283F183-F279 HydrophobicContact CD2-CE1 4.34Å; F183-F279 HydrophobicContact CD2-CE2 4.49Å; F183-F279 HydrophobicContact CD2-CZ 4.03Å; F183-F279 HydrophobicContact CE2-CD1 4.23Å; F183-F279 HydrophobicContact CE2-CD2 4.06Å; F183-F279 AromaticContact CE2-CE1 3.82Å; F183-F279 HydrophobicContact CE2-CE1 3.82Å; F183-F279 AromaticContact CE2-CE2 3.61Å; F183-F279 HydrophobicContact CE2-CE2 3.61Å; F183-F279 HydrophobicContact CE2-CG 4.36Å; F183-F279 AromaticContact CE2-CZ 3.49Å; F183-F279 HydrophobicContact CE2-CZ 3.49Å; F183-F279 VanDerWaalsContact CE2-CZ 3.49Å; F183-F279 HydrophobicContact CZ-CD2 4.46Å; F183-F279 HydrophobicContact CZ-CE2 4.28Å; I186-F279 HydrophobicContact CG2-CE1 4.21Å; I186-F279 HydrophobicContact CG2-CZ 4.24Å; A187-F279 HydrophobicContact CB-CD1 3.88Å; A187-F279 HydrophobicContact CB-CE1 3.83Å; L190-F279 HydrophobicContact CD1-CE1 4.05Å; W222-F279 HydrophobicContact CZ2-CE2 4.35Å; W222-F279 HydrophobicContact CZ2-CZ 4.37Å; V239-F279 HydrophobicContact CG1-CE1 4.42Å; V239-F279 HydrophobicContact CG1-CE2 4.39Å; V239-F279 HydrophobicContact CG1-CZ 3.77Å; V250-F279 HydrophobicContact CB-CB 4.48Å; V250-F279 HydrophobicContact CB-CD2 4.14Å; V250-F279 HydrophobicContact CB-CG 4.19Å; V250-F279 HydrophobicContact CG1-CD2 3.95Å; V250-F279 HydrophobicContact CG1-CE1 4.39Å; V250-F279 HydrophobicContact CG1-CE2 3.84Å; V250-F279 HydrophobicContact CG1-CG 4.28Å; V250-F279 HydrophobicContact CG1-CZ 4.06Å; V250-F279 HydrophobicContact CG2-CB 4Å; V250-F279 HydrophobicContact CG2-CD1 3.99Å; V250-F279 HydrophobicContact CG2-CD2 4.31Å; V250-F279 HydrophobicContact CG2-CG 3.86Å; V252-F279 HydrophobicContact CG2-CE2 4.39Å; I267-F279 HydrophobicContact CD1-CD2 3.51Å; I267-F279 HydrophobicContact CD1-CE2 3.57Å; P275-F279 PolarHBondContact O-N 3.36Å; L276-F279 WeakPolarHBondContact O-CB 3.33Å; L276-F279 PolarHBondContact O-N 3.45Å; F279-L282 PolarHBondContact O-N 3.06Å; F279-A283 PolarHBondContact O-N 3.28Å; F279-A283 VanDerWaalsContact O-N 3.09Å
280V95.4Very high86.6Confident14 Ų1459.2 Ų59.29%0.08531%0.306CS..Hα-helixtrans-60.8-48.6175.3173.80000111.2A187 L276 L282 A283 E284A187-V280 HydrophobicContact CB-CG2 4.21Å; L276-V280 HydrophobicContact CD1-CG2 4.14Å; L276-V280 HydrophobicContact CG-CG2 4.43Å; L276-V280 WeakPolarHBondContact O-CG2 3.48Å; L276-V280 PolarHBondContact O-N 3.46Å; V280-L282 VanDerWaalsContact C-N 3.29Å; V280-L282 PolarHBondContact O-N 3.45Å; V280-A283 WeakPolarHBondContact O-CB 3.46Å; V280-A283 PolarHBondContact O-N 3.12Å; V280-A283 VanDerWaalsContact O-N 3.08Å; V280-E284 HydrophobicContact CG1-CG 4.36Å; V280-E284 WeakPolarHBondContact O-CG 3.36Å; V280-E284 PolarHBondContact O-N 2.88Å
281K94.3Very high84.6Confident122 Ų12259.3 Ų59.353%0.5331%0.306SS..Hα-helixtrans-59.3-37.3178.2-176.7171.4-178.1172.40113.2E277 Q285E277-K281 VanDerWaalsContact O-CB 3.29Å; E277-K281 WeakPolarHBondContact O-CB 3.44Å; E277-K281 PolarHBondContact O-N 3.46Å; E277-K281 VanDerWaalsContact O-N 3.12Å; K281-Q285 WeakPolarHBondContact O-CB 3.4Å; K281-Q285 VanDerWaalsContact O-CG 3.24Å; K281-Q285 WeakPolarHBondContact O-CG 3.26Å; K281-Q285 PolarHBondContact O-N 3.1Å
282L93Very high82.2Confident40 Ų4057.9 Ų57.921%0.20931%0.305CS..Hα-helixtrans-67.1-42175.5-177.263.2000111.3F183 I267 K278 F279 V280 Q285 L286F183-L282 HydrophobicContact CE1-CB 4.48Å; F183-L282 HydrophobicContact CE1-CD2 4.1Å; F183-L282 HydrophobicContact CE1-CG 3.9Å; F183-L282 HydrophobicContact CZ-CB 4.16Å; F183-L282 HydrophobicContact CZ-CD2 3.98Å; F183-L282 HydrophobicContact CZ-CG 3.98Å; I267-L282 HydrophobicContact CG2-CD2 3.54Å; K278-L282 WeakPolarHBondContact O-CB 3.43Å; K278-L282 PolarHBondContact O-N 3.47Å; F279-L282 PolarHBondContact O-N 3.06Å; V280-L282 VanDerWaalsContact C-N 3.29Å; V280-L282 PolarHBondContact O-N 3.45Å; L282-Q285 PolarHBondContact O-N 3.28Å; L282-L286 HydrophobicContact CD1-CD1 4.3Å; L282-L286 HydrophobicContact CD1-CG 4.43Å; L282-L286 HydrophobicContact CG-CD1 4.37Å; L282-L286 WeakPolarHBondContact O-CG 3.46Å; L282-L286 PolarHBondContact O-N 2.85Å; L282-L286 VanDerWaalsContact O-N 3.1Å
283A92.4Very high79.8Confident0 Ų058.5 Ų58.50%031%0.31CS..Hα-helixtrans-63.9-41.2176.400000112.2F183 K184 A187 F279 V280 L286 S287F183-A283 HydrophobicContact CD1-CB 4.25Å; F183-A283 HydrophobicContact CD2-CB 3.75Å; F183-A283 HydrophobicContact CE1-CB 4.23Å; F183-A283 HydrophobicContact CE2-CB 3.67Å; F183-A283 HydrophobicContact CG-CB 4Å; F183-A283 HydrophobicContact CZ-CB 3.92Å; K184-A283 HydrophobicContact CD-CB 4.42Å; A187-A283 HydrophobicContact CB-CB 3.49Å; A187-A283 VanDerWaalsContact CB-CB 3.49Å; F279-A283 PolarHBondContact O-N 3.28Å; F279-A283 VanDerWaalsContact O-N 3.09Å; V280-A283 WeakPolarHBondContact O-CB 3.46Å; V280-A283 PolarHBondContact O-N 3.12Å; V280-A283 VanDerWaalsContact O-N 3.08Å; A283-L286 PolarHBondContact O-N 3.13Å; A283-S287 VanDerWaalsContact O-CB 3.27Å; A283-S287 WeakPolarHBondContact O-CB 3.27Å; A283-S287 PolarHBondContact O-N 3.39Å; A283-S287 PolarHBondContact O-OG 2.83Å
284E89.4Confident77.3Confident89 Ų8964.8 Ų64.842%0.41633%0.329SS..Hα-helixtrans-59.1-46.7172.2-72.6169.9164.300111.7K184 V280 L286 S287 S288K184-E284 HydrophobicContact CD-CG 4.4Å; V280-E284 HydrophobicContact CG1-CG 4.36Å; V280-E284 WeakPolarHBondContact O-CG 3.36Å; V280-E284 PolarHBondContact O-N 2.88Å; E284-L286 VanDerWaalsContact C-N 3.33Å; E284-L286 PolarHBondContact O-N 3.24Å; E284-S287 PolarHBondContact O-N 3.42Å; E284-S287 PolarHBondContact O-OG 2.88Å; E284-S288 WeakPolarHBondContact O-CB 3.47Å; E284-S288 PolarHBondContact O-N 3.16Å; E284-S288 VanDerWaalsContact O-N 3.11Å; E284-S288 PolarHBondContact O-OG 3.31Å
285Q86Confident75Confident122 Ų12269.8 Ų69.857%0.5736%0.355SS*.Hα-helixtrans-62.3-36.6179.8-76.3177.3-39.100113.2K281 L282K281-Q285 WeakPolarHBondContact O-CB 3.4Å; K281-Q285 VanDerWaalsContact O-CG 3.24Å; K281-Q285 WeakPolarHBondContact O-CG 3.26Å; K281-Q285 PolarHBondContact O-N 3.1Å; L282-Q285 PolarHBondContact O-N 3.28Å
286L82.9Confident72.6Confident50 Ų5069.9 Ų69.926%0.26235%0.352SS..Hα-helixtrans-89.3-19.4-179.5-62.5-179.7000114.3S180 F183 D221 L282 A283 E284 I289S180-L286 WeakPolarHBondContact CB-O 3.31Å; S180-L286 WeakPolarHBondContact OG-CB 3.3Å; S180-L286 PolarHBondContact OG-O 2.96Å; F183-L286 HydrophobicContact CD1-CD1 4.17Å; F183-L286 HydrophobicContact CE1-CD1 3.97Å; D221-L286 HydrophobicContact CB-CD1 3.74Å; D221-L286 WeakPolarHBondContact O-CD1 3.43Å; L282-L286 HydrophobicContact CD1-CD1 4.3Å; L282-L286 HydrophobicContact CD1-CG 4.43Å; L282-L286 HydrophobicContact CG-CD1 4.37Å; L282-L286 WeakPolarHBondContact O-CG 3.46Å; L282-L286 PolarHBondContact O-N 2.85Å; L282-L286 VanDerWaalsContact O-N 3.1Å; A283-L286 PolarHBondContact O-N 3.13Å; E284-L286 VanDerWaalsContact C-N 3.33Å; E284-L286 PolarHBondContact O-N 3.24Å; L286-I289 WeakPolarHBondContact O-CD1 3.44Å
287S74.2Confident70.2Confident23 Ų2370.9 Ų70.916%0.16136%0.358CS..Hα-helixtrans-91-14.7176.254.90000113.9K184 A283 E284 I289K184-S287 WeakPolarHBondContact CD-OG 3.2Å; A283-S287 VanDerWaalsContact O-CB 3.27Å; A283-S287 WeakPolarHBondContact O-CB 3.27Å; A283-S287 PolarHBondContact O-N 3.39Å; A283-S287 PolarHBondContact O-OG 2.83Å; E284-S287 PolarHBondContact O-N 3.42Å; E284-S287 PolarHBondContact O-OG 2.88Å; S287-I289 PolarHBondContact O-N 2.85Å
288S54.7Low67.9Low94 Ų9469.2 Ų69.266%0.65736%0.356SS*.  trans-70.511.9177.1-60.90000114.2E284 D290E284-S288 WeakPolarHBondContact O-CB 3.47Å; E284-S288 PolarHBondContact O-N 3.16Å; E284-S288 VanDerWaalsContact O-N 3.11Å; E284-S288 PolarHBondContact O-OG 3.31Å; S288-D290 PolarHBondContact O-N 2.86Å; S288-D290 VanDerWaalsContact O-N 3.1Å
289I56.1Low65.4Low38 Ų3871.2 Ų71.220%0.19537%0.372CS..  trans-83.270.6170.7-52.7161.4000108.1N79 L176 L286 S287 M291N79-I289 PolarHBondContact ND2-O 3.36Å; L176-I289 HydrophobicContact CB-CG2 4.29Å; L176-I289 HydrophobicContact CD2-CD1 4.08Å; L176-I289 HydrophobicContact CD2-CG1 4.29Å; L176-I289 HydrophobicContact CD2-CG2 3.63Å; L286-I289 WeakPolarHBondContact O-CD1 3.44Å; S287-I289 PolarHBondContact O-N 2.85Å; I289-M291 HydrophobicContact CG2-CG 4.36Å; I289-M291 PolarHBondContact O-N 3.09Å
290D49.4Very low63.1Low98 Ų9873.6 Ų73.652%0.52438%0.384SS..  trans-76.5105.5169.7179.215.1000109.9S288 S292 N293S288-D290 PolarHBondContact O-N 2.86Å; S288-D290 VanDerWaalsContact O-N 3.1Å; D290-S292 PolarHBondContact O-N 3.19Å; D290-S292 WeakPolarHBondContact OD1-CB 2.98Å; D290-S292 PolarHBondContact OD1-N 2.94Å; D290-S292 PolarHBondContact OD1-OG 2.94Å; D290-S292 WeakPolarHBondContact OD2-CB 3.39Å; D290-S292 PolarHBondContact OD2-OG 2.88Å; D290-N293 WeakPolarHBondContact O-CB 3.49Å; D290-N293 PolarHBondContact O-N 3.18Å
291M49.7Very low60.4Low9 Ų977 Ų774%0.04440%0.395CS..THydrogen-bonded Turntrans-73.53.2175.2-66.8-145.5-52.300113.9N79 L177 I289 N293 L297 I300N79-M291 HydrophobicContact CB-CB 4.28Å; N79-M291 HydrophobicContact CB-CE 3.68Å; N79-M291 HydrophobicContact CB-CG 3.89Å; N79-M291 HydrophobicContact CB-SD 4.33Å; N79-M291 VanDerWaalsContact O-CE 3.27Å; N79-M291 WeakPolarHBondContact O-CE 3.37Å; L177-M291 HydrophobicContact CD2-CE 3.84Å; L177-M291 HydrophobicContact CD2-SD 4.12Å; I289-M291 HydrophobicContact CG2-CG 4.36Å; I289-M291 PolarHBondContact O-N 3.09Å; M291-N293 PolarHBondContact O-N 2.9Å; M291-L297 HydrophobicContact CB-CD2 4.45Å; M291-L297 HydrophobicContact CE-CD2 4.47Å; M291-L297 WeakPolarHBondContact O-CD1 3.49Å; M291-L297 VanDerWaalsContact O-CG 3.3Å; M291-L297 WeakPolarHBondContact O-CG 3.42Å; M291-I300 HydrophobicContact SD-CD1 4.06Å
292S42.7Very low57.9Low85 Ų8579.3 Ų79.359%0.59441%0.408SS*.THydrogen-bonded Turntrans-62.3-24162.191.30000112D290 R294D290-S292 PolarHBondContact O-N 3.19Å; D290-S292 WeakPolarHBondContact OD1-CB 2.98Å; D290-S292 PolarHBondContact OD1-N 2.94Å; D290-S292 PolarHBondContact OD1-OG 2.94Å; D290-S292 WeakPolarHBondContact OD2-CB 3.39Å; D290-S292 PolarHBondContact OD2-OG 2.88Å; S292-R294 PolarHBondContact O-N 3.19Å
293N43Very low55.5Low82 Ų8282.9 Ų82.944%0.43943%0.433SS..SBendtrans-64.6103.1173.9-172.9-4.7000110.6D290 M291 D295 L296D290-N293 WeakPolarHBondContact O-CB 3.49Å; D290-N293 PolarHBondContact O-N 3.18Å; M291-N293 PolarHBondContact O-N 2.9Å; N293-D295 PolarHBondContact O-N 2.79Å; N293-D295 PolarHBondContact OD1-N 3.09Å; N293-L296 PolarHBondContact O-N 3.16Å; N293-L296 VanDerWaalsContact O-N 3.13Å
294R41.1Very low53.3Low201 Ų20185.3 Ų85.376%0.75845%0.445SS*.Hα-helixtrans-51.4-34.7-175.4-77-173.4171.7-163.8-2.4113.6S292 L296 L297 T298S292-R294 PolarHBondContact O-N 3.19Å; R294-L296 VanDerWaalsContact C-N 3.28Å; R294-L296 PolarHBondContact O-N 3.25Å; R294-L297 CarbonylContact O-C 3.54Å; R294-L297 PolarHBondContact O-N 2.84Å; R294-L297 VanDerWaalsContact O-N 3.09Å; R294-T298 PolarHBondContact O-N 2.96Å; R294-T298 PolarHBondContact O-OG1 2.93Å; R294-T298 VanDerWaalsContact O-OG1 3.11Å
295D48.3Very low51.5Low108 Ų10884.4 Ų84.458%0.57845%0.446SS*.Hα-helixtrans-64.2-34.5-174.6-64.2-7.4000111.8N293 T298 N299N293-D295 PolarHBondContact O-N 2.79Å; N293-D295 PolarHBondContact OD1-N 3.09Å; D295-T298 WeakPolarHBondContact CA-OG1 3.32Å; D295-T298 PolarHBondContact O-OG1 3.14Å; D295-N299 PolarHBondContact O-N 3.03Å; D295-N299 PolarHBondContact O-ND2 3.29Å
296L47.7Very low49.8Very low57 Ų5784 Ų8430%0.29844%0.444SS..Hα-helixtrans-71.1-43.4172.3-73.2170.9000111.2N293 R294 T298 N299 I300N293-L296 PolarHBondContact O-N 3.16Å; N293-L296 VanDerWaalsContact O-N 3.13Å; R294-L296 VanDerWaalsContact C-N 3.28Å; R294-L296 PolarHBondContact O-N 3.25Å; L296-T298 VanDerWaalsContact C-N 3.31Å; L296-T298 PolarHBondContact O-N 3.27Å; L296-N299 PolarHBondContact O-N 3.05Å; L296-N299 VanDerWaalsContact O-N 3.16Å; L296-I300 WeakPolarHBondContact O-CG1 3.14Å; L296-I300 PolarHBondContact O-N 3.24Å
297L47.2Very low48.3Very low30 Ų3086.6 Ų86.616%0.15745%0.453CS..Hα-helixtrans-62.2-35.4175.9-72.1177.9000112.6M291 R294 R301M291-L297 HydrophobicContact CB-CD2 4.45Å; M291-L297 HydrophobicContact CE-CD2 4.47Å; M291-L297 WeakPolarHBondContact O-CD1 3.49Å; M291-L297 VanDerWaalsContact O-CG 3.3Å; M291-L297 WeakPolarHBondContact O-CG 3.42Å; R294-L297 CarbonylContact O-C 3.54Å; R294-L297 PolarHBondContact O-N 2.84Å; R294-L297 VanDerWaalsContact O-N 3.09Å; L297-R301 WeakPolarHBondContact O-CB 3.48Å; L297-R301 WeakPolarHBondContact O-CG 3.37Å; L297-R301 PolarHBondContact O-N 2.96Å
298T45.8Very low47.1Very low95 Ų9588.8 Ų88.858%0.58346%0.461SS*.Hα-helixtrans-74.3-23175.746.90000113.7R294 D295 L296R294-T298 PolarHBondContact O-N 2.96Å; R294-T298 PolarHBondContact O-OG1 2.93Å; R294-T298 VanDerWaalsContact O-OG1 3.11Å; D295-T298 WeakPolarHBondContact CA-OG1 3.32Å; D295-T298 PolarHBondContact O-OG1 3.14Å; L296-T298 VanDerWaalsContact C-N 3.31Å; L296-T298 PolarHBondContact O-N 3.27Å
299N43Very low46.8Very low139 Ų13985.9 Ų85.974%0.74344%0.442SS*.Hα-helixtrans-81.9-30.5173.2-75-51.4000112.2D295 L296D295-N299 PolarHBondContact O-N 3.03Å; D295-N299 PolarHBondContact O-ND2 3.29Å; L296-N299 PolarHBondContact O-N 3.05Å; L296-N299 VanDerWaalsContact O-N 3.16Å
300I48Very low46.5Very low50 Ų5084.3 Ų84.326%0.25644%0.435SS..Hα-helixtrans-79.6-31.6173.2-65.8169.2000111.2L88 L176 L177 M291 L296L88-I300 HydrophobicContact CD2-CG2 4.21Å; L176-I300 HydrophobicContact CD1-CD1 4.49Å; L177-I300 HydrophobicContact CD2-CD1 4.09Å; L177-I300 HydrophobicContact CD2-CG2 4.33Å; M291-I300 HydrophobicContact SD-CD1 4.06Å; L296-I300 WeakPolarHBondContact O-CG1 3.14Å; L296-I300 PolarHBondContact O-N 3.24Å
301R38.7Very low46.4Very low85 Ų8583.1 Ų83.132%0.32144%0.435SS..  trans-99.8105.1-177.6-65170.7170.3-171-7112.6L88 L297L88-R301 HydrophobicContact CD2-CG 4.38Å; L297-R301 WeakPolarHBondContact O-CB 3.48Å; L297-R301 WeakPolarHBondContact O-CG 3.37Å; L297-R301 PolarHBondContact O-N 2.96Å
302Q43Very low46.1Very low171 Ų17183 Ų8380%0.79944%0.435SS*.SBend-65.5141.1117.9-65.9-165.914.200107.4M304Q302-M304 PolarHBondContact O-N 2.99Å
303P43.1Very low46.2Very low115 Ų11582.6 Ų82.675%0.74742%0.42SS*.PPolyproline II helixtrans-58.2125.3168.426.8-32.6000107.4T305P303-T305 PolarHBondContact O-N 2.76Å
304M45.4Very low46.1Very low51 Ų5182 Ų8225%0.25142%0.421SS..PPolyproline II helixtrans-50.4133.4177.8-69.5157.847.600109.8P87 Q302 E308 A309P87-M304 HydrophobicContact CB-CE 3.22Å; P87-M304 HydrophobicContact CB-SD 3.46Å; P87-M304 WeakPolarHBondContact CB-SD 3.45Å; P87-M304 HydrophobicContact CG-CE 3.79Å; P87-M304 HydrophobicContact CG-SD 4.26Å; Q302-M304 PolarHBondContact O-N 2.99Å; M304-E308 HydrophobicContact CB-CB 4.27Å; M304-E308 HydrophobicContact CE-CB 4.48Å; M304-A309 VanDerWaalsContact CE-CA 3.44Å; M304-A309 HydrophobicContact CE-CB 3.54Å
305T50.8Low46.1Very low69 Ų6975.7 Ų75.742%0.42340%0.402SS..PPolyproline II helixtrans-62.5161.3179.758.70000111.9P303 K307 E308P303-T305 PolarHBondContact O-N 2.76Å; T305-K307 PolarHBondContact O-N 2.81Å; T305-K307 PolarHBondContact OG1-N 2.85Å; T305-E308 WeakPolarHBondContact CB-OE2 3.49Å; T305-E308 WeakPolarHBondContact CG2-OE2 3.27Å; T305-E308 PolarHBondContact N-OE2 3.26Å; T305-E308 PolarHBondContact O-N 2.9Å; T305-E308 VanDerWaalsContact O-N 3.14Å; T305-E308 WeakPolarHBondContact OG1-CG 3.35Å; T305-E308 PolarHBondContact OG1-N 3.17Å; T305-E308 PolarHBondContact OG1-OE2 2.75Å
306E51Low45.6Very low113 Ų11371.5 Ų71.553%0.52838%0.382SS..THydrogen-bonded Turntrans-66.126.7161.9-64.8167.8-141.700113.4E458 Q461E306-E458 HydrophobicContact CG-CG 3.99Å; E306-E458 WeakPolarHBondContact OE2-CG 3.33Å; E306-Q461 VanDerWaalsContact C-OE1 3.25Å; E306-Q461 WeakPolarHBondContact O-CB 3.42Å; E306-Q461 VanDerWaalsContact O-CD 3.25Å; E306-Q461 WeakPolarHBondContact O-CG 3.44Å; E306-Q461 PolarHBondContact O-OE1 2.91Å
307K51.4Low45.4Very low106 Ų10673.6 Ų73.646%0.46139%0.394SS..THydrogen-bonded Turntrans-127.9-27168.3-166.2170.8-178.6175.10112.3T305 S311 Q461 E482T305-K307 PolarHBondContact O-N 2.81Å; T305-K307 PolarHBondContact OG1-N 2.85Å; K307-S311 VanDerWaalsContact O-CB 3.31Å; K307-S311 WeakPolarHBondContact O-CB 3.39Å; K307-S311 PolarHBondContact O-N 2.99Å; K307-S311 PolarHBondContact O-OG 2.99Å; K307-Q461 PolarHBondContact O-OE1 3.06Å; K307-E482 IonicContact NZ-OE1 3.29Å; K307-E482 PolarHBondContact NZ-OE1 3.42Å; K307-E482 IonicContact NZ-OE2 2.7Å; K307-E482 PolarHBondContact NZ-OE2 3.4Å; K307-E482 VanDerWaalsContact NZ-OE2 3.1Å
308E49.1Very low45.1Very low68 Ų6880 Ų8032%0.31842%0.416SS..THydrogen-bonded Turntrans-84.1-40.2-178.9-71.3158.3115.200112.9C91 M304 T305 A310 S311 A312C91-E308 PolarHBondContact SG-OE1 2.95Å; M304-E308 HydrophobicContact CB-CB 4.27Å; M304-E308 HydrophobicContact CE-CB 4.48Å; T305-E308 WeakPolarHBondContact CB-OE2 3.49Å; T305-E308 WeakPolarHBondContact CG2-OE2 3.27Å; T305-E308 PolarHBondContact N-OE2 3.26Å; T305-E308 PolarHBondContact O-N 2.9Å; T305-E308 VanDerWaalsContact O-N 3.14Å; T305-E308 WeakPolarHBondContact OG1-CG 3.35Å; T305-E308 PolarHBondContact OG1-N 3.17Å; T305-E308 PolarHBondContact OG1-OE2 2.75Å; E308-A310 VanDerWaalsContact C-N 3.35Å; E308-A310 PolarHBondContact O-N 2.94Å; E308-S311 WeakPolarHBondContact O-CB 3.36Å; E308-S311 PolarHBondContact O-N 2.91Å; E308-A312 WeakPolarHBondContact O-CB 3.4Å; E308-A312 PolarHBondContact O-N 3.06Å
309A49.2Very low44.7Very low33 Ų3379.5 Ų79.527%0.27340%0.403SS..Hα-helixtrans-66.8-30.5-170.900000114.5M304 R313M304-A309 VanDerWaalsContact CE-CA 3.44Å; M304-A309 HydrophobicContact CE-CB 3.54Å; A309-R313 PolarHBondContact O-N 3.41Å
310A49.8Very low44.6Very low5 Ų576.1 Ų76.14%0.04139%0.385CS..Hα-helixtrans-113.66.3173.500000114.1E308 R313 P314 S460 Q461E308-A310 VanDerWaalsContact C-N 3.35Å; E308-A310 PolarHBondContact O-N 2.94Å; A310-R313 HydrophobicContact CB-CB 4.19Å; A310-R313 HydrophobicContact CB-CG 4.48Å; A310-P314 WeakPolarHBondContact O-CD 3.48Å; A310-P314 WeakPolarHBondContact O-CG 3.05Å; A310-S460 WeakPolarHBondContact CB-O 3.11Å; A310-Q461 HydrophobicContact CB-CB 3.92Å; A310-Q461 HydrophobicContact CB-CG 3.77Å
311S47.2Very low44Very low74 Ų7476.8 Ų76.852%0.51739%0.392SS..Hα-helixtrans-66.9-33.1140.1-67.30000110.7K307 E308K307-S311 VanDerWaalsContact O-CB 3.31Å; K307-S311 WeakPolarHBondContact O-CB 3.39Å; K307-S311 PolarHBondContact O-N 2.99Å; K307-S311 PolarHBondContact O-OG 2.99Å; E308-S311 WeakPolarHBondContact O-CB 3.36Å; E308-S311 PolarHBondContact O-N 2.91Å
312A43.2Very low44.1Very low5 Ų580.6 Ų80.64%0.04141%0.407CS..Hα-helixtrans-87.9-33.3-178.300000115P87 E308 L315 A316P87-A312 HydrophobicContact CB-CB 3.9Å; P87-A312 HydrophobicContact CG-CB 3.66Å; E308-A312 WeakPolarHBondContact O-CB 3.4Å; E308-A312 PolarHBondContact O-N 3.06Å; A312-L315 CarbonylContact O-C 3.54Å; A312-L315 WeakPolarHBondContact O-CA 3.28Å; A312-L315 WeakPolarHBondContact O-CB 3.28Å; A312-L315 PolarHBondContact O-N 2.66Å; A312-A316 PolarHBondContact O-N 3.2Å
313R44.1Very low43.9Very low78 Ų7876.3 Ų76.329%0.29438%0.384SS..Hα-helixtrans-50.6-52.6174.4-85.9174.6166.4-170.1-13113A309 A310 L315 A316 D317 K459A309-R313 PolarHBondContact O-N 3.41Å; A310-R313 HydrophobicContact CB-CB 4.19Å; A310-R313 HydrophobicContact CB-CG 4.48Å; R313-L315 PolarHBondContact O-N 3.16Å; R313-A316 CarbonylContact O-C 3.58Å; R313-A316 WeakPolarHBondContact O-CA 3.12Å; R313-A316 WeakPolarHBondContact O-CB 3.24Å; R313-A316 PolarHBondContact O-N 3.3Å; R313-D317 VanDerWaalsContact C-OD2 3.31Å; R313-D317 WeakPolarHBondContact O-CB 3.46Å; R313-D317 PolarHBondContact O-N 2.88Å; R313-D317 VanDerWaalsContact O-OD2 3.07Å; R313-K459 PolarHBondContact NH1-O 3.33Å
314P42.1Very low43.5Very low70 Ų7077.8 Ų77.846%0.45538%0.381SS..Hα-helixtrans-61.7-14175-23.234.7000115.1A310 R318A310-P314 WeakPolarHBondContact O-CD 3.48Å; A310-P314 WeakPolarHBondContact O-CG 3.05Å; P314-R318 WeakPolarHBondContact O-CB 3.38Å; P314-R318 PolarHBondContact O-N 3.37Å
315L39.2Very low43Very low67 Ų6781.9 Ų81.935%0.35140%0.399SS..Hα-helixtrans-93.2-17.3172-64.6173.5000113A312 R313A312-L315 CarbonylContact O-C 3.54Å; A312-L315 WeakPolarHBondContact O-CA 3.28Å; A312-L315 WeakPolarHBondContact O-CB 3.28Å; A312-L315 PolarHBondContact O-N 2.66Å; R313-L315 PolarHBondContact O-N 3.16Å
316A38.7Very low42Very low20 Ų2083.7 Ų83.717%0.16541%0.414CS..Hα-helixtrans-82-56.7163.700000110A312 R313 R318 W319 L320A312-A316 PolarHBondContact O-N 3.2Å; R313-A316 CarbonylContact O-C 3.58Å; R313-A316 WeakPolarHBondContact O-CA 3.12Å; R313-A316 WeakPolarHBondContact O-CB 3.24Å; R313-A316 PolarHBondContact O-N 3.3Å; A316-R318 VanDerWaalsContact C-N 3.25Å; A316-R318 PolarHBondContact O-N 3.06Å; A316-W319 PolarHBondContact O-N 2.99Å; A316-L320 HydrophobicContact CB-CD1 4.25Å; A316-L320 PolarHBondContact O-N 3.44Å
317D42.9Very low41.3Very low102 Ų10285.1 Ų85.155%0.54542%0.424SS..THydrogen-bonded Turntrans-66.3-22.8-170.3-51.4-29.5000113.4R313 P321R313-D317 VanDerWaalsContact C-OD2 3.31Å; R313-D317 WeakPolarHBondContact O-CB 3.46Å; R313-D317 PolarHBondContact O-N 2.88Å; R313-D317 VanDerWaalsContact O-OD2 3.07Å; D317-P321 WeakPolarHBondContact O-CD 3.37Å; D317-P321 WeakPolarHBondContact O-CG 3.44Å
318R40.5Very low40.5Very low165 Ų16588.7 Ų88.762%0.62344%0.443SS*.THydrogen-bonded Turntrans-83.7-24.8174179.7173.2174.2148.60.2113.6P314 A316 R322P314-R318 WeakPolarHBondContact O-CB 3.38Å; P314-R318 PolarHBondContact O-N 3.37Å; A316-R318 VanDerWaalsContact C-N 3.25Å; A316-R318 PolarHBondContact O-N 3.06Å; R318-R322 WeakPolarHBondContact O-CD 2.99Å
319W38Very low39.6Very low84 Ų8489.3 Ų89.332%0.31846%0.459SS..THydrogen-bonded Turntrans-107-31.7-169.9-68.578.4000113M122 A316 Y323M122-W319 HydrophobicContact CE-CH2 3.75Å; M122-W319 HydrophobicContact CE-CZ2 3.66Å; A316-W319 PolarHBondContact O-N 2.99Å; W319-Y323 HydrophobicContact CE3-CE2 4Å; W319-Y323 AromaticContact CE3-CZ 3.88Å; W319-Y323 WeakPolarHBondContact CZ3-OH 3.38Å; W319-Y323 WeakPolarHBondContact O-CD2 3.48Å
320L40.8Very low38.7Very low68 Ų6894 Ų9436%0.35649%0.487SS..SBendtrans-67.7-60.2176.8-75.5160.3000112.1Y82 A316 R322 Y323Y82-L320 HydrophobicContact CE2-CD1 4.49Å; A316-L320 HydrophobicContact CB-CD1 4.25Å; A316-L320 PolarHBondContact O-N 3.44Å; L320-R322 PolarHBondContact O-N 3.32Å; L320-Y323 PolarHBondContact O-N 3.33Å; L320-Y323 VanDerWaalsContact O-N 3.13Å
321P36.6Very low38Very low63 Ų6397.9 Ų97.941%0.40951%0.507SS..Hα-helixtrans-66.7-37.4-172-19.733.9000113.2D317 Y323 E324 E325D317-P321 WeakPolarHBondContact O-CD 3.37Å; D317-P321 WeakPolarHBondContact O-CG 3.44Å; P321-Y323 PolarHBondContact O-N 2.9Å; P321-Y323 VanDerWaalsContact O-N 3.11Å; P321-E324 PolarHBondContact O-N 3.23Å; P321-E325 PolarHBondContact O-N 2.98Å
322R40.9Very low37.3Very low166 Ų166101.2 Ų101.263%0.62653%0.527SS*.Hα-helixtrans-67.8-8.1178.9-69.9-169.9177.9-140-1.8114.3R318 L320R318-R322 WeakPolarHBondContact O-CD 2.99Å; L320-R322 PolarHBondContact O-N 3.32Å
323Y37.2Very low37Very low81 Ų81105.4 Ų105.432%0.31856%0.562SS.*Hα-helixtrans-100.7-11.2175.8-82.7-140.9000112I30 P31 W319 L320 P321I30-Y323 HydrophobicContact CD1-CD1 3.75Å; I30-Y323 HydrophobicContact CD1-CE1 4.32Å; I30-Y323 HydrophobicContact CG1-CD1 4.35Å; I30-Y323 HydrophobicContact CG2-CD1 4.18Å; P31-Y323 WeakPolarHBondContact CD-O 3.35Å; W319-Y323 HydrophobicContact CE3-CE2 4Å; W319-Y323 AromaticContact CE3-CZ 3.88Å; W319-Y323 WeakPolarHBondContact CZ3-OH 3.38Å; W319-Y323 WeakPolarHBondContact O-CD2 3.48Å; L320-Y323 PolarHBondContact O-N 3.33Å; L320-Y323 VanDerWaalsContact O-N 3.13Å; P321-Y323 PolarHBondContact O-N 2.9Å; P321-Y323 VanDerWaalsContact O-N 3.11Å
324E35.7Very low36.3Very low146 Ų146109.6 Ų109.668%0.68258%0.579SS**Hα-helixtrans-103.7-28.3178.6-62.6-176.8148.900112.3P321 S326P321-E324 PolarHBondContact O-N 3.23Å; E324-S326 PolarHBondContact O-N 3.07Å
325E34.4Very low35.7Very low137 Ų137112.3 Ų112.364%0.6460%0.598SS**SBendtrans-57.5127.1168.3-75-177.7155.300111.2P321 I327P321-E325 PolarHBondContact O-N 2.98Å; E325-I327 PolarHBondContact O-N 2.88Å
326S29.5Very low35.3Very low106 Ų106113.5 Ų113.574%0.74161%0.61SS**  trans-69.698.8175.955.40000110.3E324 E328E324-S326 PolarHBondContact O-N 3.07Å; S326-E328 PolarHBondContact O-N 3.34Å
327I36.8Very low35Very low143 Ų143121.4 Ų121.473%0.73364%0.644SS**  trans-61.899.3175.5-55.9176.3000109.4E325 A329E325-I327 PolarHBondContact O-N 2.88Å; I327-A329 PolarHBondContact O-N 3.01Å
328E33.8Very low34.3Very low181 Ų181126.3 Ų126.385%0.84666%0.66SS**  trans-62.3117.5161.6-64.8-162.8140.600107.8S326S326-E328 PolarHBondContact O-N 3.34Å
329A30Very low33.8Very low81 Ų81124.5 Ų124.567%0.66966%0.661SS**  trans-65.8133-173.500000110.3I327 N331I327-A329 PolarHBondContact O-N 3.01Å; A329-N331 PolarHBondContact O-N 3.1Å
330P30.6Very low33.2Very low131 Ų131128.4 Ų128.485%0.85168%0.68SS**SBendtrans-74.773.8-177.730.5-35.9000111.8
331N35.1Very low32.6Very low87 Ų87130.6 Ų130.647%0.46570%0.696SS.*  trans-142.490.4166.4-172.6-11.6000110.6A329 A333 Y334A329-N331 PolarHBondContact O-N 3.1Å; N331-A333 PolarHBondContact O-N 2.97Å; N331-A333 PolarHBondContact OD1-N 2.91Å; N331-A333 VanDerWaalsContact OD1-N 3.09Å; N331-Y334 VanDerWaalsContact ND2-CB 3.29Å; N331-Y334 WeakPolarHBondContact ND2-CB 3.35Å; N331-Y334 PolarHBondContact O-N 3.22Å; N331-Y334 PolarHBondContact OD1-N 2.86Å
332P34.1Very low32.1Very low144 Ų144137.1 Ų137.194%0.93571%0.713SS**THydrogen-bonded Turntrans-61.1-8.7179.2-24.435.1000115.4
333A35.4Very low31.5Very low94 Ų94133.6 Ų133.678%0.77772%0.719SS**THydrogen-bonded Turntrans-111.86.9-176.400000114N331N331-A333 PolarHBondContact O-N 2.97Å; N331-A333 PolarHBondContact OD1-N 2.91Å; N331-A333 VanDerWaalsContact OD1-N 3.09Å
334Y30.3Very low31Very low165 Ų165133.5 Ų133.565%0.64773%0.731SS**  trans-134.599.6-179.9-167.3-101.7000111.8N331 P336N331-Y334 VanDerWaalsContact ND2-CB 3.29Å; N331-Y334 WeakPolarHBondContact ND2-CB 3.35Å; N331-Y334 PolarHBondContact O-N 3.22Å; N331-Y334 PolarHBondContact OD1-N 2.86Å; Y334-P336 HydrophobicContact CE1-CB 4.33Å; Y334-P336 WeakPolarHBondContact O-CD 3.24Å
335C29.8Very low30.5Very low128 Ų128132.1 Ų132.187%0.86573%0.734SS**  trans-9199.2169.6-73.80000110.2
336P30.9Very low30.3Very low92 Ų92133.1 Ų133.160%0.59774%0.743SS**  trans-65.6147.7160.531-34.4000109.3Y334Y334-P336 HydrophobicContact CE1-CB 4.33Å; Y334-P336 WeakPolarHBondContact O-CD 3.24Å
337E31.7Very low30.3Very low186 Ų186131.1 Ų131.187%0.86974%0.739SS**  trans-60.2142.3-179.9-66.6-173.2114.100112I339E337-I339 PolarHBondContact O-N 3.1Å
338K28.5Very low29.8Very low204 Ų204131.1 Ų131.189%0.88774%0.741SS**  trans-65.799.1179.6-70.2-173.5176.5-174.90110.7K340K338-K340 PolarHBondContact O-N 2.86Å
339I28.8Very low29.5Very low127 Ų127131 Ų13165%0.65174%0.742SS**  trans-57.6110.2172.3-59.6176.6000108.8E337 V341E337-I339 PolarHBondContact O-N 3.1Å; I339-V341 PolarHBondContact O-N 3.22Å
340K26Very low29.4Very low166 Ų166133 Ų13372%0.72275%0.749SS**  trans-69.693.8174.2-77.1-174.1175.7-179.90110.4K338 W342K338-K340 PolarHBondContact O-N 2.86Å; K340-W342 PolarHBondContact O-N 3.21Å
341V28.5Very low29.6Very low114 Ų114134.8 Ų134.869%0.69175%0.749SS**PPolyproline II helixtrans-69.3119.3159.9-175.10000107.3I339I339-V341 PolarHBondContact O-N 3.22Å
342W26.5Very low29.3Very low201 Ų201139.9 Ų139.976%0.76177%0.77SS**PPolyproline II helixtrans-84.1132.7178.2-68.883.8000109.8K340K340-W342 PolarHBondContact O-N 3.21Å
343A27.6Very low29.2Very low92 Ų92136.7 Ų136.776%0.7676%0.764SS**PPolyproline II helixtrans-66.9153.9-179.900000112.4
344S27.3Very low28.9Very low79 Ų79142.2 Ų142.255%0.55277%0.773SS**PPolyproline II helixtrans-59139.8168.3175.20000110.7L346 G347S344-L346 PolarHBondContact O-N 3.14Å; S344-G347 PolarHBondContact O-N 3.3Å; S344-G347 VanDerWaalsContact O-N 3.16Å
345P25.6Very low28.9Very low117 Ų117137.9 Ų137.976%0.7678%0.779SS**THydrogen-bonded Turntrans-67.96.5-178.829.1-36.3000114.9
346L30.7Very low28.8Very low158 Ų158141.3 Ų141.383%0.82778%0.782SS**THydrogen-bonded Turntrans-89.30.7170.5-62.4177.9000113.7S344 N348S344-L346 PolarHBondContact O-N 3.14Å; L346-N348 PolarHBondContact O-N 3.29Å
347G27.6Very low28.9Very low64 Ų64142.2 Ų142.266%0.6679%0.791SS**  trans-72.339.8176.700000115.8S344S344-G347 PolarHBondContact O-N 3.3Å; S344-G347 VanDerWaalsContact O-N 3.16Å
348N28.2Very low28.8Very low143 Ų143141.6 Ų141.677%0.76579%0.788SS**  trans-114.158.6-170-85.1-19.5000114L346L346-N348 PolarHBondContact O-N 3.29Å
349M27.6Very low28.9Very low178 Ų178138.2 Ų138.288%0.87779%0.787SS**  trans-149.8127.8150.8-84.3-153.3-69.800110.7
350P26.5Very low29Very low124 Ų124143.3 Ų143.381%0.80580%0.798SS**  trans-90.1138.8174.234.6-31.7000111.6
351I35.4Very low29.3Very low168 Ų168138.4 Ų138.486%0.86279%0.785SS**  trans-130.8125.7161-60.1-178.3000107.6
352Q28.8Very low29.4Very low193 Ų193137.5 Ų137.590%0.90278%0.783SS**  trans-93.1147.6175.4-62.9171-55.100109.6
353G32Very low29.7Very low78 Ų78131.3 Ų131.380%0.80476%0.76SS**  trans168.2101.7174.400000112.5
354E28.2Very low30.1Very low209 Ų209132 Ų13298%0.97776%0.755SS**  trans-80143.3171.6-61.1178.2131.100110.3
355G31.3Very low30.3Very low74 Ų74130.4 Ų130.476%0.76374%0.743SS**  trans-174.9113.9177.700000112.9
356Q27.8Very low30.9Very low201 Ų201131 Ų13194%0.93974%0.74SS**  trans-76.6135179.1-63170.8-14.200111.1
357S33.2Very low31.3Very low110 Ų110127.2 Ų127.277%0.76973%0.726SS**  trans-160.2161.1158.2480000112.8
358E29.4Very low32.4Very low173 Ų173126.2 Ų126.281%0.80870%0.704SS**  trans-64.1162.8-163.4-66.4179.815000116.6R360E358-R360 PolarHBondContact O-N 2.66Å; E358-R360 VanDerWaalsContact O-N 3.08Å
359P30.7Very low33.9Very low134 Ų134122.1 Ų122.187%0.8768%0.682SS**  trans-58.5112.4175.924-35.7000112.2
360R30.1Very low35.7Very low233 Ų233118.3 Ų118.388%0.87966%0.663SS**  trans-65.8143.9-179.7-74.7-178.1170.4175.9-3.2112.2E358E358-R360 PolarHBondContact O-N 2.66Å; E358-R360 VanDerWaalsContact O-N 3.08Å
361S31.8Very low37.8Very low64 Ų64115.5 Ų115.545%0.44865%0.651SS.*  trans-58.8139.7171.4-172.40000111.2Y363S361-Y363 PolarHBondContact O-N 3.08Å
362S31.6Very low40Very low95 Ų95109.4 Ų109.466%0.66462%0.618SS**SBendtrans-78.241.7-176.170.40000113.6R406S362-R406 PolarHBondContact OG-NH2 3.35Å
363Y33.3Very low42.4Very low70 Ų70100.8 Ų100.828%0.27558%0.578SS.*  trans-121.2109.3179.5-165.4-81000109.1S361 P365 E402S361-Y363 PolarHBondContact O-N 3.08Å; Y363-P365 VanDerWaalsContact O-CD 3.27Å; Y363-P365 WeakPolarHBondContact O-CD 3.48Å; Y363-E402 HydrophobicContact CD2-CG 4.01Å; Y363-E402 HydrophobicContact CE2-CG 4.2Å
364V34.7Very low44.7Very low107 Ų107102.2 Ų102.265%0.64856%0.563SS**  trans-77.7114.1178.4-178.50000108.5D366V364-D366 HydrophobicContact CG1-CB 4.33Å; V364-D366 WeakPolarHBondContact CG1-OD2 3.28Å; V364-D366 PolarHBondContact O-N 2.95Å
365P31.9Very low47.3Very low46 Ų4694.8 Ų94.830%0.29954%0.538SS..THydrogen-bonded Turntrans-72.8-8.8-171-20.435.2000115.1Y363 C367 M368 K395Y363-P365 VanDerWaalsContact O-CD 3.27Å; Y363-P365 WeakPolarHBondContact O-CD 3.48Å; P365-C367 PolarHBondContact O-N 2.7Å; P365-C367 VanDerWaalsContact O-N 3.09Å; P365-M368 WeakPolarHBondContact O-CG 3.45Å; P365-M368 PolarHBondContact O-N 3.32Å; P365-K395 HydrophobicContact CB-CG 4.36Å
366D39.1Very low49.8Very low130 Ų13093.4 Ų93.470%0.69551%0.51SS*.THydrogen-bonded Turntrans-77.20.5-163.3-53.9-46.9000114.6V364V364-D366 HydrophobicContact CG1-CB 4.33Å; V364-D366 WeakPolarHBondContact CG1-OD2 3.28Å; V364-D366 PolarHBondContact O-N 2.95Å
367C37.8Very low52.7Low78 Ų7885.3 Ų85.353%0.52747%0.474SS..  trans-94.933.6170.7-70.60000113.4P365 D369P365-C367 PolarHBondContact O-N 2.7Å; P365-C367 VanDerWaalsContact O-N 3.09Å; C367-D369 PolarHBondContact O-N 2.8Å
368M51.7Low55.1Low43 Ų4385 Ų8521%0.21246%0.46CS..  trans-69128.5178.1-85.8176.6-62.100112.6P365 M370 E391 V394 K395P365-M368 WeakPolarHBondContact O-CG 3.45Å; P365-M368 PolarHBondContact O-N 3.32Å; M368-M370 VanDerWaalsContact C-N 3.33Å; M368-M370 PolarHBondContact O-N 2.66Å; M368-E391 HydrophobicContact CE-CG 3.42Å; M368-E391 VanDerWaalsContact CE-CG 3.42Å; M368-E391 HydrophobicContact SD-CG 3.58Å; M368-E391 VanDerWaalsContact SD-CG 3.58Å; M368-V394 HydrophobicContact CG-CG1 4.28Å; M368-V394 HydrophobicContact SD-CG1 4.27Å; M368-K395 HydrophobicContact CE-CD 4.42Å; M368-K395 HydrophobicContact SD-CD 4.45Å; M368-K395 HydrophobicContact SD-CG 4.02Å
369D59.3Low57.6Low57 Ų5779.9 Ų79.931%0.30544%0.443SS..  trans-74.186.2174.5-167.2-26.4000110.2C367 A371 F372 M373 Y455 K459C367-D369 PolarHBondContact O-N 2.8Å; D369-A371 PolarHBondContact O-N 2.94Å; D369-A371 WeakPolarHBondContact OD1-CA 3.47Å; D369-A371 VanDerWaalsContact OD1-CB 3.29Å; D369-A371 WeakPolarHBondContact OD1-CB 3.35Å; D369-A371 PolarHBondContact OD1-N 3.32Å; D369-F372 HydrophobicContact CB-CB 4.1Å; D369-F372 PolarHBondContact O-N 2.89Å; D369-F372 PolarHBondContact OD1-N 3.46Å; D369-M373 PolarHBondContact O-N 3.48Å; D369-Y455 WeakPolarHBondContact CB-OH 3.38Å; D369-K459 IonicContact OD2-NZ 2.58Å
370M65.4Low60Low97 Ų9774.4 Ų74.448%0.47841%0.406SS..Hα-helixtrans-58.7-25.2174.2-64.7-61.8-7300111.9M368 M373 Q374M368-M370 VanDerWaalsContact C-N 3.33Å; M368-M370 PolarHBondContact O-N 2.66Å; M370-M373 HydrophobicContact CE-CE 4.23Å; M370-M373 HydrophobicContact SD-CE 3.37Å; M370-M373 WeakPolarHBondContact SD-CE 3.16Å; M370-Q374 VanDerWaalsContact O-CB 3.27Å; M370-Q374 WeakPolarHBondContact O-CB 3.47Å; M370-Q374 WeakPolarHBondContact O-CG 3.37Å; M370-Q374 PolarHBondContact O-N 2.86Å
371A71.1Confident62.1Low65 Ų6570.1 Ų70.154%0.53739%0.394SS..Hα-helixtrans-73.5-37.7177.800000111.6D369 Q374 A375D369-A371 PolarHBondContact O-N 2.94Å; D369-A371 WeakPolarHBondContact OD1-CA 3.47Å; D369-A371 VanDerWaalsContact OD1-CB 3.29Å; D369-A371 WeakPolarHBondContact OD1-CB 3.35Å; D369-A371 PolarHBondContact OD1-N 3.32Å; A371-Q374 PolarHBondContact O-N 2.85Å; A371-A375 VanDerWaalsContact O-CB 3.23Å; A371-A375 WeakPolarHBondContact O-CB 3.3Å; A371-A375 PolarHBondContact O-N 3.04Å
372F80.1Confident64.2Low40 Ų4076.6 Ų76.618%0.17541%0.414CS..Hα-helixtrans-59.9-53.5170.6171.3-106.8000111.8D369 Q374 A375 Y376 M389 Y455D369-F372 HydrophobicContact CB-CB 4.1Å; D369-F372 PolarHBondContact O-N 2.89Å; D369-F372 PolarHBondContact OD1-N 3.46Å; F372-Q374 VanDerWaalsContact C-N 3.27Å; F372-Q374 PolarHBondContact O-N 3.46Å; F372-A375 PolarHBondContact O-N 2.79Å; F372-A375 VanDerWaalsContact O-N 3.13Å; F372-Y376 WeakPolarHBondContact O-CB 3.15Å; F372-Y376 PolarHBondContact O-N 3.42Å; F372-M389 HydrophobicContact CD1-SD 4.08Å; F372-M389 HydrophobicContact CE1-CE 3.78Å; F372-M389 HydrophobicContact CE1-SD 3.47Å; F372-M389 WeakPolarHBondContact CE1-SD 3.48Å; F372-M389 HydrophobicContact CZ-CE 4.06Å; F372-M389 HydrophobicContact CZ-SD 4.29Å; F372-Y455 HydrophobicContact CB-CD2 4.16Å; F372-Y455 HydrophobicContact CB-CE2 3.66Å; F372-Y455 AromaticContact CD1-CD1 3.5Å; F372-Y455 HydrophobicContact CD1-CD1 3.5Å; F372-Y455 VanDerWaalsContact CD1-CD1 3.5Å; F372-Y455 AromaticContact CD1-CD2 3.76Å; F372-Y455 HydrophobicContact CD1-CD2 3.76Å; F372-Y455 AromaticContact CD1-CE1 3.69Å; F372-Y455 HydrophobicContact CD1-CE1 3.69Å; F372-Y455 AromaticContact CD1-CE2 3.91Å; F372-Y455 HydrophobicContact CD1-CE2 3.91Å; F372-Y455 AromaticContact CD1-CG 3.58Å; F372-Y455 HydrophobicContact CD1-CG 3.58Å; F372-Y455 AromaticContact CD1-CZ 3.93Å; F372-Y455 AromaticContact CD2-CD2 3.38Å; F372-Y455 HydrophobicContact CD2-CD2 3.38Å; F372-Y455 AromaticContact CD2-CE2 3.79Å; F372-Y455 HydrophobicContact CD2-CE2 3.79Å; F372-Y455 AromaticContact CD2-CG 3.86Å; F372-Y455 HydrophobicContact CD2-CG 3.86Å; F372-Y455 AromaticContact CE1-CD1 3.46Å; F372-Y455 HydrophobicContact CE1-CD1 3.46Å; F372-Y455 VanDerWaalsContact CE1-CD1 3.46Å; F372-Y455 AromaticContact CE1-CD2 3.96Å; F372-Y455 HydrophobicContact CE1-CD2 3.96Å; F372-Y455 HydrophobicContact CE1-CE1 4.13Å; F372-Y455 AromaticContact CE1-CG 3.4Å; F372-Y455 HydrophobicContact CE1-CG 3.4Å; F372-Y455 VanDerWaalsContact CE1-CG 3.4Å; F372-Y455 AromaticContact CE2-CD2 3.61Å; F372-Y455 HydrophobicContact CE2-CD2 3.61Å; F372-Y455 HydrophobicContact CE2-CE2 4.45Å; F372-Y455 AromaticContact CE2-CG 3.71Å; F372-Y455 HydrophobicContact CE2-CG 3.71Å; F372-Y455 HydrophobicContact CG-CD1 4.09Å; F372-Y455 AromaticContact CG-CD2 3.47Å; F372-Y455 HydrophobicContact CG-CD2 3.47Å; F372-Y455 VanDerWaalsContact CG-CD2 3.47Å; F372-Y455 HydrophobicContact CG-CE1 4.14Å; F372-Y455 AromaticContact CG-CE2 3.48Å; F372-Y455 HydrophobicContact CG-CE2 3.48Å; F372-Y455 VanDerWaalsContact CG-CE2 3.48Å; F372-Y455 AromaticContact CG-CG 3.81Å; F372-Y455 HydrophobicContact CG-CG 3.81Å; F372-Y455 AromaticContact CG-CZ 3.89Å; F372-Y455 HydrophobicContact CZ-CD1 4.04Å; F372-Y455 AromaticContact CZ-CD2 3.9Å; F372-Y455 HydrophobicContact CZ-CD2 3.9Å; F372-Y455 AromaticContact CZ-CG 3.48Å; F372-Y455 HydrophobicContact CZ-CG 3.48Å; F372-Y455 VanDerWaalsContact CZ-CG 3.48Å
373M80.7Confident66.5Low13 Ų1378.7 Ų78.76%0.06441%0.412CS..Hα-helixtrans-57.5-41.3177.9-77.3-158.6-7500111.9D369 M370 N377 M389 N390 V394D369-M373 PolarHBondContact O-N 3.48Å; M370-M373 HydrophobicContact CE-CE 4.23Å; M370-M373 HydrophobicContact SD-CE 3.37Å; M370-M373 WeakPolarHBondContact SD-CE 3.16Å; M373-N377 VanDerWaalsContact O-CB 3.31Å; M373-N377 WeakPolarHBondContact O-CB 3.37Å; M373-N377 PolarHBondContact O-N 3.13Å; M373-N377 VanDerWaalsContact O-N 3.08Å; M373-N377 PolarHBondContact O-ND2 3.42Å; M373-M389 HydrophobicContact CG-CG 4.13Å; M373-M389 HydrophobicContact CG-SD 3.91Å; M373-M389 HydrophobicContact SD-CG 4.38Å; M373-N390 VanDerWaalsContact SD-C 3.57Å; M373-V394 HydrophobicContact CG-CG2 3.76Å; M373-V394 HydrophobicContact SD-CB 4.48Å; M373-V394 HydrophobicContact SD-CG2 3.58Å; M373-V394 VanDerWaalsContact SD-CG2 3.58Å
374Q80.5Confident68.4Low107 Ų10781.4 Ų81.450%0.544%0.438SS..Hα-helixtrans-66.7-45.2176-73.6173.129.600111.6M370 A371 F372 N377 Q378M370-Q374 VanDerWaalsContact O-CB 3.27Å; M370-Q374 WeakPolarHBondContact O-CB 3.47Å; M370-Q374 WeakPolarHBondContact O-CG 3.37Å; M370-Q374 PolarHBondContact O-N 2.86Å; A371-Q374 PolarHBondContact O-N 2.85Å; F372-Q374 VanDerWaalsContact C-N 3.27Å; F372-Q374 PolarHBondContact O-N 3.46Å; Q374-N377 PolarHBondContact O-N 2.79Å; Q374-Q378 WeakPolarHBondContact O-CB 3.16Å; Q374-Q378 WeakPolarHBondContact O-CG 3.42Å; Q374-Q378 PolarHBondContact O-N 3.18Å
375A82Confident70.6Confident54 Ų5483.8 Ų83.845%0.44645%0.447SS..Hα-helixtrans-62.6-45.6179.200000111.9A371 F372 Q378 S379A371-A375 VanDerWaalsContact O-CB 3.23Å; A371-A375 WeakPolarHBondContact O-CB 3.3Å; A371-A375 PolarHBondContact O-N 3.04Å; F372-A375 PolarHBondContact O-N 2.79Å; F372-A375 VanDerWaalsContact O-N 3.13Å; A375-Q378 PolarHBondContact O-N 3.32Å; A375-S379 PolarHBondContact O-N 3.34Å
376Y84.5Confident72.9Confident44 Ų4482.9 Ų82.917%0.17344%0.443CS..Hα-helixtrans-57.7-55.1175.5-176.9-90.9000111.1F372 Q378 S379 L380 M389 L448 A451F372-Y376 WeakPolarHBondContact O-CB 3.15Å; F372-Y376 PolarHBondContact O-N 3.42Å; Y376-Q378 PolarHBondContact O-N 2.78Å; Y376-S379 WeakPolarHBondContact O-CB 3.48Å; Y376-S379 PolarHBondContact O-N 3.2Å; Y376-S379 VanDerWaalsContact O-N 3.09Å; Y376-S379 PolarHBondContact O-OG 2.92Å; Y376-L380 HydrophobicContact CD1-CD1 3.98Å; Y376-L380 HydrophobicContact CE1-CD1 3.42Å; Y376-L380 VanDerWaalsContact CE1-CD1 3.42Å; Y376-L380 HydrophobicContact CE1-CG 4.27Å; Y376-L380 PolarHBondContact O-N 3.38Å; Y376-M389 HydrophobicContact CD1-CB 3.87Å; Y376-M389 HydrophobicContact CD1-CE 3.84Å; Y376-M389 HydrophobicContact CD2-CE 4.18Å; Y376-M389 HydrophobicContact CE1-CB 4.22Å; Y376-M389 HydrophobicContact CE1-CE 4.02Å; Y376-M389 HydrophobicContact CE2-CE 4.36Å; Y376-M389 HydrophobicContact CG-CE 3.93Å; Y376-L448 HydrophobicContact CE1-CD2 3.57Å; Y376-L448 WeakPolarHBondContact OH-CD2 3.43Å; Y376-A451 HydrophobicContact CD2-CB 4.12Å; Y376-A451 HydrophobicContact CE2-CB 3.41Å; Y376-A451 VanDerWaalsContact CE2-CB 3.41Å
377N87.2Confident75.1Confident32 Ų3278.9 Ų78.917%0.17142%0.423CS..Hα-helixtrans-63.3-27.9177.8-74.6-44.5000113.4M373 Q374 L380 R388 M389M373-N377 VanDerWaalsContact O-CB 3.31Å; M373-N377 WeakPolarHBondContact O-CB 3.37Å; M373-N377 PolarHBondContact O-N 3.13Å; M373-N377 VanDerWaalsContact O-N 3.08Å; M373-N377 PolarHBondContact O-ND2 3.42Å; Q374-N377 PolarHBondContact O-N 2.79Å; N377-L380 PolarHBondContact O-N 3.48Å; N377-R388 VanDerWaalsContact OD1-CA 3.25Å; N377-R388 WeakPolarHBondContact OD1-CA 3.2Å; N377-R388 VanDerWaalsContact OD1-CB 3.27Å; N377-R388 WeakPolarHBondContact OD1-CB 3.48Å; N377-M389 PolarHBondContact ND2-O 3.11Å; N377-M389 PolarHBondContact OD1-N 2.86Å
378Q84.2Confident77.4Confident102 Ų10283.6 Ų83.648%0.47743%0.43SS..Hα-helixtrans-72.6-37173.5-76.4-167.783.300112.7Q374 A375 Y376 L380 K381Q374-Q378 WeakPolarHBondContact O-CB 3.16Å; Q374-Q378 WeakPolarHBondContact O-CG 3.42Å; Q374-Q378 PolarHBondContact O-N 3.18Å; A375-Q378 PolarHBondContact O-N 3.32Å; Y376-Q378 PolarHBondContact O-N 2.78Å; Q378-L380 PolarHBondContact O-N 3.07Å; Q378-K381 HydrophobicContact CB-CD 4.38Å; Q378-K381 HydrophobicContact CG-CD 4.3Å; Q378-K381 VanDerWaalsContact O-CB 3.31Å; Q378-K381 WeakPolarHBondContact O-CB 3.46Å; Q378-K381 WeakPolarHBondContact O-CG 3.41Å; Q378-K381 PolarHBondContact O-N 3.4Å; Q378-K381 VanDerWaalsContact O-N 3.14Å
379S82.1Confident79.1Confident66 Ų6681.8 Ų81.846%0.46242%0.421SS..Hα-helixtrans-60.2-34.5172.383.50000111.7A375 Y376 K381A375-S379 PolarHBondContact O-N 3.34Å; Y376-S379 WeakPolarHBondContact O-CB 3.48Å; Y376-S379 PolarHBondContact O-N 3.2Å; Y376-S379 VanDerWaalsContact O-N 3.09Å; Y376-S379 PolarHBondContact O-OG 2.92Å; S379-K381 VanDerWaalsContact C-N 3.31Å; S379-K381 PolarHBondContact O-N 3.46Å
380L82.2Confident80.4Confident19 Ų1982 Ų8210%0.09942%0.422CS..G310 helixtrans-77.6-4.3178.1-62.4-178.4000114.5Y376 N377 Q378 K382 K383 A386 V387Y376-L380 HydrophobicContact CD1-CD1 3.98Å; Y376-L380 HydrophobicContact CE1-CD1 3.42Å; Y376-L380 VanDerWaalsContact CE1-CD1 3.42Å; Y376-L380 HydrophobicContact CE1-CG 4.27Å; Y376-L380 PolarHBondContact O-N 3.38Å; N377-L380 PolarHBondContact O-N 3.48Å; Q378-L380 PolarHBondContact O-N 3.07Å; L380-K382 PolarHBondContact O-N 2.72Å; L380-K383 HydrophobicContact CD2-CD 4.01Å; L380-K383 PolarHBondContact O-N 3.08Å; L380-A386 HydrophobicContact CB-CB 4.3Å; L380-A386 HydrophobicContact CD1-CB 4Å; L380-A386 HydrophobicContact CD2-CB 3.91Å; L380-A386 HydrophobicContact CG-CB 4.3Å; L380-V387 VanDerWaalsContact CD1-O 3.28Å; L380-V387 WeakPolarHBondContact CD1-O 3.44Å
381K72.1Confident81.1Confident144 Ų14481.6 Ų81.663%0.62642%0.419SS*.G310 helixtrans-55.4-20.1179.2-80.9171.9172170.40114.7Q378 S379Q378-K381 HydrophobicContact CB-CD 4.38Å; Q378-K381 HydrophobicContact CG-CD 4.3Å; Q378-K381 VanDerWaalsContact O-CB 3.31Å; Q378-K381 WeakPolarHBondContact O-CB 3.46Å; Q378-K381 WeakPolarHBondContact O-CG 3.41Å; Q378-K381 PolarHBondContact O-N 3.4Å; Q378-K381 VanDerWaalsContact O-N 3.14Å; S379-K381 VanDerWaalsContact C-N 3.31Å; S379-K381 PolarHBondContact O-N 3.46Å
382K76.3Confident81.6Confident199 Ų19985.3 Ų85.387%0.86543%0.425SS*.G310 helixtrans-93.6-0.7175.7-64.7-174.5-179.8179.30114.5L380L380-K382 PolarHBondContact O-N 2.72Å
383K80.2Confident82Confident140 Ų14084.7 Ų84.761%0.60942%0.423SS*.  trans-119.293178.7-65.6-176.4-179.6179.80109.3L380 N385 A386L380-K383 HydrophobicContact CD2-CD 4.01Å; L380-K383 PolarHBondContact O-N 3.08Å; K383-N385 PolarHBondContact O-N 3.47Å; K383-A386 HydrophobicContact CB-CB 3.69Å; K383-A386 HydrophobicContact CD-CB 4.23Å; K383-A386 PolarHBondContact O-N 3.06Å
384P73.1Confident82Confident127 Ų12784.4 Ų84.483%0.82542%0.422SS*.THydrogen-bonded Turntrans-62.5-28.1-173.223.8-33.6000113.8
385N81.4Confident81.8Confident157 Ų15782.4 Ų82.484%0.8441%0.412SS*.THydrogen-bonded Turntrans-96.35.8-177.4-57.913.6000113.4K383K383-N385 PolarHBondContact O-N 3.47Å
386A79.9Confident81.9Confident26 Ų2681.1 Ų81.122%0.21540%0.401CS..SBendtrans-78.4134.5-179.100000111.4L380 K383 R388L380-A386 HydrophobicContact CB-CB 4.3Å; L380-A386 HydrophobicContact CD1-CB 4Å; L380-A386 HydrophobicContact CD2-CB 3.91Å; L380-A386 HydrophobicContact CG-CB 4.3Å; K383-A386 HydrophobicContact CB-CB 3.69Å; K383-A386 HydrophobicContact CD-CB 4.23Å; K383-A386 PolarHBondContact O-N 3.06Å; A386-R388 PolarHBondContact O-N 3.22Å
387V84.9Confident81.8Confident47 Ų4779 Ų7929%0.28539%0.392SS..PPolyproline II helixtrans-57.5132.9173.8-1750000109.6L380 P445 D447 L448L380-V387 VanDerWaalsContact CD1-O 3.28Å; L380-V387 WeakPolarHBondContact CD1-O 3.44Å; V387-P445 HydrophobicContact CG1-CB 3.92Å; V387-P445 HydrophobicContact CG1-CG 3.91Å; V387-P445 HydrophobicContact CG2-CB 4.44Å; V387-D447 HydrophobicContact CB-CB 4.43Å; V387-D447 HydrophobicContact CG2-CB 4.27Å; V387-L448 HydrophobicContact CB-CD2 4.43Å; V387-L448 HydrophobicContact CG1-CD1 3.98Å; V387-L448 HydrophobicContact CG1-CD2 4.39Å; V387-L448 HydrophobicContact CG1-CG 4.12Å
388R87.2Confident81.5Confident176 Ų17678 Ų7866%0.66439%0.387SS*.PPolyproline II helixtrans-90.7140174.5-71.1-170.8-177.9179.14.2110.9N377 A386 H393N377-R388 VanDerWaalsContact OD1-CA 3.25Å; N377-R388 WeakPolarHBondContact OD1-CA 3.2Å; N377-R388 VanDerWaalsContact OD1-CB 3.27Å; N377-R388 WeakPolarHBondContact OD1-CB 3.48Å; A386-R388 PolarHBondContact O-N 3.22Å; R388-H393 PolarHBondContact O-CE1 2.98Å; R388-H393 PolarHBondContact O-ND1 3.32Å
389M87.5Confident81.2Confident6 Ų677.9 Ų77.93%0.0339%0.388CS..PPolyproline II helixtrans-73.3131.5170.8-169.7176.8-67.700109.2F372 M373 Y376 N377 V394 L448 A451 L452F372-M389 HydrophobicContact CD1-SD 4.08Å; F372-M389 HydrophobicContact CE1-CE 3.78Å; F372-M389 HydrophobicContact CE1-SD 3.47Å; F372-M389 WeakPolarHBondContact CE1-SD 3.48Å; F372-M389 HydrophobicContact CZ-CE 4.06Å; F372-M389 HydrophobicContact CZ-SD 4.29Å; M373-M389 HydrophobicContact CG-CG 4.13Å; M373-M389 HydrophobicContact CG-SD 3.91Å; M373-M389 HydrophobicContact SD-CG 4.38Å; Y376-M389 HydrophobicContact CD1-CB 3.87Å; Y376-M389 HydrophobicContact CD1-CE 3.84Å; Y376-M389 HydrophobicContact CD2-CE 4.18Å; Y376-M389 HydrophobicContact CE1-CB 4.22Å; Y376-M389 HydrophobicContact CE1-CE 4.02Å; Y376-M389 HydrophobicContact CE2-CE 4.36Å; Y376-M389 HydrophobicContact CG-CE 3.93Å; N377-M389 PolarHBondContact ND2-O 3.11Å; N377-M389 PolarHBondContact OD1-N 2.86Å; M389-V394 HydrophobicContact CG-CG2 3.85Å; M389-V394 HydrophobicContact SD-CG2 3.79Å; M389-L448 HydrophobicContact CB-CD1 4.34Å; M389-L448 HydrophobicContact CB-CD2 4.42Å; M389-A451 HydrophobicContact CE-CB 4.49Å; M389-L452 HydrophobicContact CE-CD1 4.49Å; M389-L452 HydrophobicContact CE-CD2 3.58Å; M389-L452 HydrophobicContact CE-CG 3.74Å; M389-L452 HydrophobicContact CG-CD2 4.34Å; M389-L452 HydrophobicContact SD-CD2 3.67Å; M389-L452 HydrophobicContact SD-CG 4.46Å
390N86.5Confident81.1Confident60 Ų6076.7 Ų76.732%0.32137%0.374SS..  trans-123.1176.9173.872.314.4000109.4M373 E392 H393 V394M373-N390 VanDerWaalsContact SD-C 3.57Å; N390-E392 VanDerWaalsContact C-N 3.32Å; N390-E392 PolarHBondContact O-N 3.43Å; N390-E392 PolarHBondContact OD1-N 3.5Å; N390-E392 VanDerWaalsContact OD1-N 3.13Å; N390-H393 PolarHBondContact O-N 3.44Å; N390-H393 WeakPolarHBondContact OD1-CB 3.48Å; N390-H393 PolarHBondContact OD1-CD2 3.5Å; N390-H393 VanDerWaalsContact OD1-CD2 3.28Å; N390-H393 PolarHBondContact OD1-N 3.01Å; N390-H393 PolarHBondContact OD1-ND1 3.44Å; N390-V394 PolarHBondContact O-N 3.2Å
391E78.7Confident81.1Confident89 Ų8975.8 Ų75.842%0.41637%0.369SS..Hα-helixtrans-62.3-37.3-177.8-160.8-173.412800113.1M368 V394 K395M368-E391 HydrophobicContact CE-CG 3.42Å; M368-E391 VanDerWaalsContact CE-CG 3.42Å; M368-E391 HydrophobicContact SD-CG 3.58Å; M368-E391 VanDerWaalsContact SD-CG 3.58Å; E391-V394 PolarHBondContact O-N 2.81Å; E391-K395 HydrophobicContact CG-CD 4.36Å; E391-K395 WeakPolarHBondContact O-CB 3.43Å; E391-K395 WeakPolarHBondContact O-CG 3.06Å; E391-K395 PolarHBondContact O-N 3.41Å; E391-K395 IonicContact OE1-NZ 3.7Å; E391-K395 PolarHBondContact OE1-NZ 2.97Å
392E83Confident81.4Confident144 Ų14470.2 Ų70.267%0.67335%0.345SS*.Hα-helixtrans-69.7-42.4-179.4-63.1178.415000111.5N390 V394 K395 A396N390-E392 VanDerWaalsContact C-N 3.32Å; N390-E392 PolarHBondContact O-N 3.43Å; N390-E392 PolarHBondContact OD1-N 3.5Å; N390-E392 VanDerWaalsContact OD1-N 3.13Å; E392-V394 VanDerWaalsContact C-N 3.31Å; E392-V394 PolarHBondContact O-N 2.98Å; E392-K395 PolarHBondContact O-N 2.97Å; E392-A396 WeakPolarHBondContact O-CB 3.24Å; E392-A396 PolarHBondContact O-N 3.01Å
393H87.1Confident81.7Confident26 Ų2667.1 Ų67.112%0.1233%0.332CS..Hα-helixtrans-60.2-40.1174.7-57.2159000111.4R388 N390 A397 D443 V444 L448 L452R388-H393 PolarHBondContact O-CE1 2.98Å; R388-H393 PolarHBondContact O-ND1 3.32Å; N390-H393 PolarHBondContact O-N 3.44Å; N390-H393 WeakPolarHBondContact OD1-CB 3.48Å; N390-H393 PolarHBondContact OD1-CD2 3.5Å; N390-H393 VanDerWaalsContact OD1-CD2 3.28Å; N390-H393 PolarHBondContact OD1-N 3.01Å; N390-H393 PolarHBondContact OD1-ND1 3.44Å; H393-A397 VanDerWaalsContact O-CB 3.32Å; H393-A397 WeakPolarHBondContact O-CB 3.44Å; H393-A397 PolarHBondContact O-N 3.03Å; H393-A397 VanDerWaalsContact O-N 3.13Å; H393-D443 PolarHBondContact CD2-O 2.84Å; H393-V444 WeakPolarHBondContact O-CG2 3.21Å; H393-L448 HydrophobicContact CB-CD1 4.04Å; H393-L448 WeakPolarHBondContact ND1-CD1 3.39Å; H393-L452 HydrophobicContact CB-CD1 4.38Å
394V81.3Confident81.7Confident8 Ų861.1 Ų61.15%0.04831%0.306CS..Hα-helixtrans-66.8-47.8175.2175.30000110.8M368 M373 M389 N390 E391 E392 A397 F398 L452M368-V394 HydrophobicContact CG-CG1 4.28Å; M368-V394 HydrophobicContact SD-CG1 4.27Å; M373-V394 HydrophobicContact CG-CG2 3.76Å; M373-V394 HydrophobicContact SD-CB 4.48Å; M373-V394 HydrophobicContact SD-CG2 3.58Å; M373-V394 VanDerWaalsContact SD-CG2 3.58Å; M389-V394 HydrophobicContact CG-CG2 3.85Å; M389-V394 HydrophobicContact SD-CG2 3.79Å; N390-V394 PolarHBondContact O-N 3.2Å; E391-V394 PolarHBondContact O-N 2.81Å; E392-V394 VanDerWaalsContact C-N 3.31Å; E392-V394 PolarHBondContact O-N 2.98Å; V394-A397 PolarHBondContact O-N 3Å; V394-F398 HydrophobicContact CG1-CD2 4.05Å; V394-F398 HydrophobicContact CG1-CE2 4.27Å; V394-F398 WeakPolarHBondContact O-CB 3.49Å; V394-F398 WeakPolarHBondContact O-CD2 3.12Å; V394-F398 PolarHBondContact O-N 2.92Å; V394-L452 HydrophobicContact CB-CD2 4.39Å; V394-L452 HydrophobicContact CG2-CD2 3.77Å
395K77Confident81.9Confident65 Ų6556 Ų5628%0.28327%0.271SS..Hα-helixtrans-58.4-49.8178.3-81.6170.5163.7167.50111.9P365 M368 E391 E392 F398 I399P365-K395 HydrophobicContact CB-CG 4.36Å; M368-K395 HydrophobicContact CE-CD 4.42Å; M368-K395 HydrophobicContact SD-CD 4.45Å; M368-K395 HydrophobicContact SD-CG 4.02Å; E391-K395 HydrophobicContact CG-CD 4.36Å; E391-K395 WeakPolarHBondContact O-CB 3.43Å; E391-K395 WeakPolarHBondContact O-CG 3.06Å; E391-K395 PolarHBondContact O-N 3.41Å; E391-K395 IonicContact OE1-NZ 3.7Å; E391-K395 PolarHBondContact OE1-NZ 2.97Å; E392-K395 PolarHBondContact O-N 2.97Å; K395-F398 PolarHBondContact O-N 3.14Å; K395-I399 WeakPolarHBondContact O-CB 3.46Å; K395-I399 WeakPolarHBondContact O-CD1 3.49Å; K395-I399 WeakPolarHBondContact O-CG1 3.1Å; K395-I399 PolarHBondContact O-N 3.07Å
396A83.5Confident81.7Confident26 Ų2653.8 Ų53.822%0.21525%0.251CS..Hα-helixtrans-61.3-47.2179.900000112.1E392 I399 Y400 V444E392-A396 WeakPolarHBondContact O-CB 3.24Å; E392-A396 PolarHBondContact O-N 3.01Å; A396-I399 PolarHBondContact O-N 2.76Å; A396-Y400 WeakPolarHBondContact O-CB 3.35Å; A396-Y400 PolarHBondContact O-N 3.03Å; A396-V444 HydrophobicContact CB-CG2 3.69Å
397A81.9Confident81.8Confident0 Ų057.2 Ų57.20%026%0.261CS..Hα-helixtrans-62.5-46.1176.900000112.9H393 V394 I399 Y400 F401 I441 V444 L452H393-A397 VanDerWaalsContact O-CB 3.32Å; H393-A397 WeakPolarHBondContact O-CB 3.44Å; H393-A397 PolarHBondContact O-N 3.03Å; H393-A397 VanDerWaalsContact O-N 3.13Å; V394-A397 PolarHBondContact O-N 3Å; A397-I399 PolarHBondContact O-N 3.42Å; A397-Y400 WeakPolarHBondContact O-CB 3.41Å; A397-Y400 PolarHBondContact O-N 3.12Å; A397-F401 HydrophobicContact CB-CD2 4.34Å; A397-F401 HydrophobicContact CB-CE2 3.75Å; A397-F401 HydrophobicContact CB-CZ 4.24Å; A397-F401 WeakPolarHBondContact O-CD2 2.91Å; A397-F401 VanDerWaalsContact O-CG 3.24Å; A397-F401 WeakPolarHBondContact O-CG 3.46Å; A397-F401 PolarHBondContact O-N 3.33Å; A397-I441 HydrophobicContact CB-CD1 4.11Å; A397-V444 HydrophobicContact CB-CG2 4.15Å; A397-L452 HydrophobicContact CB-CB 3.85Å; A397-L452 HydrophobicContact CB-CD1 3.8Å; A397-L452 HydrophobicContact CB-CD2 4.47Å; A397-L452 HydrophobicContact CB-CG 4.25Å
398F82.4Confident81.4Confident12 Ų1255 Ų555%0.05325%0.247CC..Hα-helixtrans-67-39.2-179.2-86.5-121.9000112V394 K395 Y400 F401 E402 Y455 W456V394-F398 HydrophobicContact CG1-CD2 4.05Å; V394-F398 HydrophobicContact CG1-CE2 4.27Å; V394-F398 WeakPolarHBondContact O-CB 3.49Å; V394-F398 WeakPolarHBondContact O-CD2 3.12Å; V394-F398 PolarHBondContact O-N 2.92Å; K395-F398 PolarHBondContact O-N 3.14Å; F398-Y400 VanDerWaalsContact C-N 3.3Å; F398-Y400 PolarHBondContact O-N 2.93Å; F398-F401 PolarHBondContact O-N 2.04Å; F398-E402 WeakPolarHBondContact O-CB 3.47Å; F398-E402 WeakPolarHBondContact O-CG 3.34Å; F398-E402 PolarHBondContact O-N 3.27Å; F398-Y455 HydrophobicContact CE1-CE1 4.4Å; F398-Y455 AromaticContact CE2-CD1 3.79Å; F398-Y455 HydrophobicContact CE2-CD1 3.79Å; F398-Y455 HydrophobicContact CE2-CE1 4.04Å; F398-Y455 AromaticContact CZ-CD1 3.54Å; F398-Y455 HydrophobicContact CZ-CD1 3.54Å; F398-Y455 AromaticContact CZ-CE1 3.48Å; F398-Y455 HydrophobicContact CZ-CE1 3.48Å; F398-Y455 VanDerWaalsContact CZ-CE1 3.48Å; F398-W456 AromaticContact CD1-CD1 3.79Å; F398-W456 HydrophobicContact CD2-CB 4.47Å; F398-W456 HydrophobicContact CE1-CB 4.36Å; F398-W456 AromaticContact CE1-CD1 3.75Å; F398-W456 HydrophobicContact CE1-CG 4.46Å; F398-W456 HydrophobicContact CE2-CB 3.87Å; F398-W456 HydrophobicContact CZ-CB 3.79Å; F398-W456 HydrophobicContact CZ-CG 4.36Å
399I76.1Confident80.9Confident98 Ų9850.9 Ų50.950%0.50324%0.236SC..Hα-helixtrans-62-39.4173.3-70166.3000111K395 A396 A397 K403K395-I399 WeakPolarHBondContact O-CB 3.46Å; K395-I399 WeakPolarHBondContact O-CD1 3.49Å; K395-I399 WeakPolarHBondContact O-CG1 3.1Å; K395-I399 PolarHBondContact O-N 3.07Å; A396-I399 PolarHBondContact O-N 2.76Å; A397-I399 PolarHBondContact O-N 3.42Å; I399-K403 WeakPolarHBondContact O-CB 3.06Å; I399-K403 PolarHBondContact O-N 3.26Å
400Y82Confident80.6Confident41 Ų4153 Ų5316%0.16125%0.254CS..Hα-helixtrans-66.3-50.5175.5-176.8-91.9000112A396 A397 F398 E402 K403 E404 I437 T438 I441A396-Y400 WeakPolarHBondContact O-CB 3.35Å; A396-Y400 PolarHBondContact O-N 3.03Å; A397-Y400 WeakPolarHBondContact O-CB 3.41Å; A397-Y400 PolarHBondContact O-N 3.12Å; F398-Y400 VanDerWaalsContact C-N 3.3Å; F398-Y400 PolarHBondContact O-N 2.93Å; Y400-E402 PolarHBondContact O-N 3.11Å; Y400-K403 WeakPolarHBondContact O-CB 3.43Å; Y400-K403 PolarHBondContact O-N 3.04Å; Y400-K403 VanDerWaalsContact O-N 3.1Å; Y400-E404 HydrophobicContact CD1-CG 4.16Å; Y400-E404 HydrophobicContact CE1-CG 3.7Å; Y400-E404 HydrophobicContact CE2-CG 4.42Å; Y400-E404 PolarHBondContact O-N 3.06Å; Y400-I437 HydrophobicContact CE1-CG2 4.04Å; Y400-T438 WeakPolarHBondContact CE1-O 3.38Å; Y400-T438 PolarHBondContact OH-O 2.86Å; Y400-T438 VanDerWaalsContact OH-O 3.08Å; Y400-I441 HydrophobicContact CD1-CD1 4.25Å; Y400-I441 HydrophobicContact CD1-CG1 3.83Å; Y400-I441 HydrophobicContact CD1-CG2 4.43Å; Y400-I441 HydrophobicContact CD2-CG2 4.43Å; Y400-I441 HydrophobicContact CE1-CG1 4.15Å; Y400-I441 HydrophobicContact CG-CG1 4.21Å; Y400-I441 HydrophobicContact CG-CG2 3.98Å
401F81.5Confident80.2Confident0 Ų054.1 Ų54.10%025%0.254CS..Hα-helixtrans-65.2-39.2-178.1-57-45000113A397 F398 K403 E404 K405 L439 I441 L452 L453 W456A397-F401 HydrophobicContact CB-CD2 4.34Å; A397-F401 HydrophobicContact CB-CE2 3.75Å; A397-F401 HydrophobicContact CB-CZ 4.24Å; A397-F401 WeakPolarHBondContact O-CD2 2.91Å; A397-F401 VanDerWaalsContact O-CG 3.24Å; A397-F401 WeakPolarHBondContact O-CG 3.46Å; A397-F401 PolarHBondContact O-N 3.33Å; F398-F401 PolarHBondContact O-N 2.04Å; F401-K403 VanDerWaalsContact C-N 3.28Å; F401-K403 PolarHBondContact O-N 3.3Å; F401-E404 PolarHBondContact O-N 3.32Å; F401-K405 VanDerWaalsContact O-CB 3.29Å; F401-K405 WeakPolarHBondContact O-CB 3.26Å; F401-K405 PolarHBondContact O-N 2.72Å; F401-L439 HydrophobicContact CE1-CD2 4.21Å; F401-I441 HydrophobicContact CE1-CD1 3.53Å; F401-I441 HydrophobicContact CE2-CD1 4.35Å; F401-I441 HydrophobicContact CZ-CD1 3.43Å; F401-I441 VanDerWaalsContact CZ-CD1 3.43Å; F401-L452 HydrophobicContact CE2-CB 4.19Å; F401-L452 WeakPolarHBondContact CE2-O 3.04Å; F401-L453 HydrophobicContact CD1-CD1 3.89Å; F401-L453 HydrophobicContact CE1-CB 4.09Å; F401-L453 HydrophobicContact CE1-CD1 3.61Å; F401-L453 HydrophobicContact CE1-CG 4.42Å; F401-L453 HydrophobicContact CE2-CB 4.24Å; F401-L453 HydrophobicContact CE2-CD1 4.48Å; F401-L453 HydrophobicContact CG-CD1 4.45Å; F401-L453 HydrophobicContact CZ-CB 3.63Å; F401-L453 HydrophobicContact CZ-CD1 3.95Å; F401-L453 HydrophobicContact CZ-CG 4.4Å; F401-W456 HydrophobicContact CB-CD2 3.42Å; F401-W456 VanDerWaalsContact CB-CD2 3.42Å; F401-W456 VanDerWaalsContact CB-CE2 3.43Å; F401-W456 HydrophobicContact CB-CE3 3.8Å; F401-W456 HydrophobicContact CB-CG 3.82Å; F401-W456 HydrophobicContact CB-CH2 4.13Å; F401-W456 HydrophobicContact CB-CZ2 3.8Å; F401-W456 HydrophobicContact CB-CZ3 4.13Å; F401-W456 HydrophobicContact CD2-CB 3.52Å; F401-W456 AromaticContact CD2-CD2 3.92Å; F401-W456 HydrophobicContact CD2-CD2 3.92Å; F401-W456 HydrophobicContact CD2-CE3 4.31Å; F401-W456 AromaticContact CD2-CG 3.56Å; F401-W456 HydrophobicContact CD2-CG 3.56Å; F401-W456 HydrophobicContact CE2-CB 3.97Å; F401-W456 HydrophobicContact CE2-CG 4.47Å; F401-W456 HydrophobicContact CG-CB 4.39Å; F401-W456 AromaticContact CG-CD2 3.9Å; F401-W456 HydrophobicContact CG-CD2 3.9Å; F401-W456 HydrophobicContact CG-CE3 4.05Å; F401-W456 HydrophobicContact CG-CG 4.03Å
402E78.7Confident80Confident28 Ų2851.3 Ų51.313%0.13124%0.241CC..Hα-helixtrans-64.8-31.8173.1-70.8-59.6136.200112.3Y363 F398 Y400 R406 W456Y363-E402 HydrophobicContact CD2-CG 4.01Å; Y363-E402 HydrophobicContact CE2-CG 4.2Å; F398-E402 WeakPolarHBondContact O-CB 3.47Å; F398-E402 WeakPolarHBondContact O-CG 3.34Å; F398-E402 PolarHBondContact O-N 3.27Å; Y400-E402 PolarHBondContact O-N 3.11Å; E402-R406 VanDerWaalsContact O-CG 3.27Å; E402-R406 WeakPolarHBondContact O-CG 3.16Å; E402-R406 PolarHBondContact O-N 2.78Å; E402-R406 VanDerWaalsContact O-N 3.11Å; E402-W456 PolarHBondContact OE1-NE1 3.05Å
403K81.3Confident79.8Confident133 Ų13347.1 Ų47.158%0.57823%0.231SC*.Hα-helixtrans-69.1-43.1174.3-174.8176.9-177.3174.40111.8I399 Y400 F401 K407I399-K403 WeakPolarHBondContact O-CB 3.06Å; I399-K403 PolarHBondContact O-N 3.26Å; Y400-K403 WeakPolarHBondContact O-CB 3.43Å; Y400-K403 PolarHBondContact O-N 3.04Å; Y400-K403 VanDerWaalsContact O-N 3.1Å; F401-K403 VanDerWaalsContact C-N 3.28Å; F401-K403 PolarHBondContact O-N 3.3Å; K403-K407 PolarHBondContact O-N 3.49Å
404E80.2Confident79.5Confident14 Ų1450.6 Ų50.67%0.06525%0.247CC..Hα-helixtrans-72.1-35.6176.3-56.4-49.1108.500112.2Y400 F401 R406 K407 Y408 I437Y400-E404 HydrophobicContact CD1-CG 4.16Å; Y400-E404 HydrophobicContact CE1-CG 3.7Å; Y400-E404 HydrophobicContact CE2-CG 4.42Å; Y400-E404 PolarHBondContact O-N 3.06Å; F401-E404 PolarHBondContact O-N 3.32Å; E404-R406 PolarHBondContact O-N 3.13Å; E404-K407 WeakPolarHBondContact O-CB 2.96Å; E404-K407 PolarHBondContact O-N 2.94Å; E404-K407 VanDerWaalsContact O-N 3.14Å; E404-K407 VanDerWaalsContact OE1-CE 3.27Å; E404-K407 WeakPolarHBondContact OE1-CE 3.43Å; E404-K407 IonicContact OE1-NZ 2.79Å; E404-K407 PolarHBondContact OE1-NZ 3.26Å; E404-K407 WeakPolarHBondContact OE2-CD 3.47Å; E404-K407 IonicContact OE2-NZ 2.92Å; E404-K407 PolarHBondContact OE2-NZ 3.37Å; E404-Y408 PolarHBondContact O-N 3.43Å; E404-I437 HydrophobicContact CB-CD1 4.08Å; E404-I437 HydrophobicContact CB-CG1 4Å
405K77.2Confident79.1Confident21 Ų2150.5 Ų50.59%0.09125%0.246CC..Hα-helixtrans-54.8-48.2170.3173.8165.1-173.7169.50111.7F401 K407 Y408 E409 W456 S460 T462 L463F401-K405 VanDerWaalsContact O-CB 3.29Å; F401-K405 WeakPolarHBondContact O-CB 3.26Å; F401-K405 PolarHBondContact O-N 2.72Å; K405-K407 VanDerWaalsContact C-N 3.29Å; K405-K407 PolarHBondContact O-N 3.12Å; K405-Y408 WeakPolarHBondContact O-CB 3.38Å; K405-Y408 PolarHBondContact O-N 2.58Å; K405-Y408 VanDerWaalsContact O-N 3.12Å; K405-E409 WeakPolarHBondContact CE-OE1 3.26Å; K405-E409 HydrophobicContact CG-CG 4.29Å; K405-E409 WeakPolarHBondContact O-CG 3.38Å; K405-E409 PolarHBondContact O-N 2.7Å; K405-W456 HydrophobicContact CB-CH2 4.03Å; K405-W456 HydrophobicContact CB-CZ2 3.93Å; K405-W456 HydrophobicContact CD-CH2 4.22Å; K405-W456 HydrophobicContact CD-CZ2 3.8Å; K405-W456 HydrophobicContact CG-CZ2 4.47Å; K405-S460 PolarHBondContact NZ-OG 3.33Å; K405-T462 PolarHBondContact NZ-OG1 3.26Å; K405-L463 HydrophobicContact CB-CD1 4.35Å; K405-L463 HydrophobicContact CD-CD1 3.76Å; K405-L463 HydrophobicContact CG-CD1 3.88Å
406R77.3Confident79Confident109 Ų10953.3 Ų53.341%0.41126%0.26SS..Hα-helixtrans-63.2-31.7177.6-71.7170.1-172.7-145.7-2.3113.2S362 E402 E404 A410S362-R406 PolarHBondContact OG-NH2 3.35Å; E402-R406 VanDerWaalsContact O-CG 3.27Å; E402-R406 WeakPolarHBondContact O-CG 3.16Å; E402-R406 PolarHBondContact O-N 2.78Å; E402-R406 VanDerWaalsContact O-N 3.11Å; E404-R406 PolarHBondContact O-N 3.13Å; R406-A410 VanDerWaalsContact O-CB 3.24Å; R406-A410 WeakPolarHBondContact O-CB 3.35Å; R406-A410 PolarHBondContact O-N 2.58Å
407K81.9Confident78.6Confident98 Ų9856.2 Ų56.243%0.42628%0.284SS..Hα-helixtrans-69.1-40.9172.3-65.6173.9-176.6170.30112K403 E404 K405 R411K403-K407 PolarHBondContact O-N 3.49Å; E404-K407 WeakPolarHBondContact O-CB 2.96Å; E404-K407 PolarHBondContact O-N 2.94Å; E404-K407 VanDerWaalsContact O-N 3.14Å; E404-K407 VanDerWaalsContact OE1-CE 3.27Å; E404-K407 WeakPolarHBondContact OE1-CE 3.43Å; E404-K407 IonicContact OE1-NZ 2.79Å; E404-K407 PolarHBondContact OE1-NZ 3.26Å; E404-K407 WeakPolarHBondContact OE2-CD 3.47Å; E404-K407 IonicContact OE2-NZ 2.92Å; E404-K407 PolarHBondContact OE2-NZ 3.37Å; K405-K407 VanDerWaalsContact C-N 3.29Å; K405-K407 PolarHBondContact O-N 3.12Å; K407-R411 WeakPolarHBondContact O-CB 3.24Å; K407-R411 PolarHBondContact O-N 2.81Å
408Y77.3Confident78.2Confident2 Ų260.9 Ų60.91%0.00831%0.306CS..Hα-helixtrans-62.9-50.9175173.6-88.6000110.8E404 K405 A410 R411 Q412 L432 H435 L463 L478 D480E404-Y408 PolarHBondContact O-N 3.43Å; K405-Y408 WeakPolarHBondContact O-CB 3.38Å; K405-Y408 PolarHBondContact O-N 2.58Å; K405-Y408 VanDerWaalsContact O-N 3.12Å; Y408-A410 VanDerWaalsContact C-N 3.34Å; Y408-A410 PolarHBondContact O-N 3.06Å; Y408-R411 CarbonylContact O-C 3.58Å; Y408-R411 PolarHBondContact O-N 2.68Å; Y408-R411 VanDerWaalsContact O-N 3.12Å; Y408-Q412 WeakPolarHBondContact O-CB 3.47Å; Y408-Q412 PolarHBondContact O-N 3.45Å; Y408-L432 HydrophobicContact CE2-CD1 4.17Å; Y408-L432 HydrophobicContact CE2-CD2 4.4Å; Y408-L432 HydrophobicContact CE2-CG 4Å; Y408-L432 WeakPolarHBondContact OH-CD2 3.21Å; Y408-H435 HydrophobicContact CD2-CB 4.09Å; Y408-L463 HydrophobicContact CD1-CD2 4.02Å; Y408-L463 HydrophobicContact CE1-CD2 3.77Å; Y408-L478 HydrophobicContact CD1-CB 4.49Å; Y408-L478 HydrophobicContact CD1-CD1 4.29Å; Y408-L478 HydrophobicContact CD2-CB 3.63Å; Y408-L478 HydrophobicContact CD2-CD1 4.11Å; Y408-L478 HydrophobicContact CD2-CG 4.46Å; Y408-L478 HydrophobicContact CE2-CB 3.72Å; Y408-L478 WeakPolarHBondContact CE2-O 3.4Å; Y408-L478 HydrophobicContact CG-CB 4.04Å; Y408-L478 HydrophobicContact CG-CD1 3.76Å; Y408-D480 PolarHBondContact OH-OD1 3.07Å
409E76.4Confident77.5Confident89 Ų8961.9 Ų61.942%0.41632%0.317SS..Hα-helixtrans-60.7-40.2178.7-70171.816300112.1K405 Q412 A413K405-E409 WeakPolarHBondContact CE-OE1 3.26Å; K405-E409 HydrophobicContact CG-CG 4.29Å; K405-E409 WeakPolarHBondContact O-CG 3.38Å; K405-E409 PolarHBondContact O-N 2.7Å; E409-Q412 PolarHBondContact O-N 2.81Å; E409-A413 WeakPolarHBondContact O-CB 3.48Å; E409-A413 PolarHBondContact O-N 2.74Å
410A80.6Confident76.7Confident51 Ų5161.5 Ų61.542%0.42133%0.328SS..Hα-helixtrans-64-44.3173.100000112R406 Y408 Q412 A413 E414R406-A410 VanDerWaalsContact O-CB 3.24Å; R406-A410 WeakPolarHBondContact O-CB 3.35Å; R406-A410 PolarHBondContact O-N 2.58Å; Y408-A410 VanDerWaalsContact C-N 3.34Å; Y408-A410 PolarHBondContact O-N 3.06Å; A410-Q412 VanDerWaalsContact C-N 3.34Å; A410-Q412 PolarHBondContact O-N 2.89Å; A410-A413 PolarHBondContact O-N 3.38Å; A410-E414 WeakPolarHBondContact O-CG 3.39Å; A410-E414 PolarHBondContact O-N 2.95Å
411R78.4Confident75.6Confident82 Ų8265.8 Ų65.831%0.30935%0.354SS..Hα-helixtrans-70.3-30.4179.1-171.554.1175.9160.36.4112.7K407 Y408 E414 I415K407-R411 WeakPolarHBondContact O-CB 3.24Å; K407-R411 PolarHBondContact O-N 2.81Å; Y408-R411 CarbonylContact O-C 3.58Å; Y408-R411 PolarHBondContact O-N 2.68Å; Y408-R411 VanDerWaalsContact O-N 3.12Å; R411-E414 WeakPolarHBondContact CD-OE2 3.41Å; R411-E414 IonicContact CZ-OE2 2.65Å; R411-E414 IonicContact NE-OE2 2.7Å; R411-E414 IonicContact NH1-OE2 2.77Å; R411-E414 PolarHBondContact NH1-OE2 3.11Å; R411-I415 HydrophobicContact CG-CD1 4.12Å; R411-I415 WeakPolarHBondContact O-CD1 3.37Å; R411-I415 VanDerWaalsContact O-CG1 3.25Å; R411-I415 WeakPolarHBondContact O-CG1 3.38Å; R411-I415 PolarHBondContact O-N 2.77Å; R411-I415 VanDerWaalsContact O-N 3.13Å
412Q75.1Confident74.5Confident31 Ų3173 Ų7315%0.14539%0.392CS..Hα-helixtrans-63.3-50.9169.6-179.8162.1-3.800110.2Y408 E409 A410 E414 I415 E416 L432 D480Y408-Q412 WeakPolarHBondContact O-CB 3.47Å; Y408-Q412 PolarHBondContact O-N 3.45Å; E409-Q412 PolarHBondContact O-N 2.81Å; A410-Q412 VanDerWaalsContact C-N 3.34Å; A410-Q412 PolarHBondContact O-N 2.89Å; Q412-E414 VanDerWaalsContact C-N 3.32Å; Q412-E414 PolarHBondContact O-N 3.45Å; Q412-I415 PolarHBondContact O-N 3.02Å; Q412-I415 VanDerWaalsContact O-N 3.1Å; Q412-E416 HydrophobicContact CG-CG 4.27Å; Q412-E416 WeakPolarHBondContact CG-OE1 3.35Å; Q412-E416 PolarHBondContact NE2-OE1 2.81Å; Q412-E416 WeakPolarHBondContact O-CB 3.47Å; Q412-E416 WeakPolarHBondContact O-CG 3.2Å; Q412-E416 PolarHBondContact O-N 3.37Å; Q412-L432 HydrophobicContact CB-CD1 3.89Å; Q412-L432 HydrophobicContact CG-CD1 4.38Å; Q412-D480 PolarHBondContact NE2-OD2 2.7Å
413A78Confident73.5Confident56 Ų5679.4 Ų79.446%0.46343%0.428SS..Hα-helixtrans-62.6-33.317800000113.8E409 A410 A417E409-A413 WeakPolarHBondContact O-CB 3.48Å; E409-A413 PolarHBondContact O-N 2.74Å; A410-A413 PolarHBondContact O-N 3.38Å; A413-A417 VanDerWaalsContact O-CB 3.23Å; A413-A417 WeakPolarHBondContact O-CB 3.29Å; A413-A417 PolarHBondContact O-N 2.9Å; A413-A417 VanDerWaalsContact O-N 3.11Å
414E80.9Confident72.6Confident98 Ų9875.7 Ų75.746%0.45841%0.414SS..Hα-helixtrans-62.7-47.4170.4-74.9172.1178.900111.6A410 R411 Q412 A417 E418A410-E414 WeakPolarHBondContact O-CG 3.39Å; A410-E414 PolarHBondContact O-N 2.95Å; R411-E414 WeakPolarHBondContact CD-OE2 3.41Å; R411-E414 IonicContact CZ-OE2 2.65Å; R411-E414 IonicContact NE-OE2 2.7Å; R411-E414 IonicContact NH1-OE2 2.77Å; R411-E414 PolarHBondContact NH1-OE2 3.11Å; Q412-E414 VanDerWaalsContact C-N 3.32Å; Q412-E414 PolarHBondContact O-N 3.45Å; E414-A417 PolarHBondContact O-N 3.21Å; E414-E418 WeakPolarHBondContact O-CG 3.48Å; E414-E418 PolarHBondContact O-N 2.99Å; E414-E418 VanDerWaalsContact O-N 3.1Å
415I74.3Confident71.6Confident6 Ų678.4 Ų78.43%0.03143%0.431CS..Hα-helixtrans-67.8-43.8-179.1-69.3166.6000111R411 Q412 A417 E418 A419 S428 R431 L432R411-I415 HydrophobicContact CG-CD1 4.12Å; R411-I415 WeakPolarHBondContact O-CD1 3.37Å; R411-I415 VanDerWaalsContact O-CG1 3.25Å; R411-I415 WeakPolarHBondContact O-CG1 3.38Å; R411-I415 PolarHBondContact O-N 2.77Å; R411-I415 VanDerWaalsContact O-N 3.13Å; Q412-I415 PolarHBondContact O-N 3.02Å; Q412-I415 VanDerWaalsContact O-N 3.1Å; I415-A417 PolarHBondContact O-N 2.91Å; I415-E418 PolarHBondContact O-N 3Å; I415-E418 VanDerWaalsContact O-N 3.14Å; I415-A419 PolarHBondContact O-N 3.28Å; I415-S428 WeakPolarHBondContact CG2-OG 3.36Å; I415-R431 HydrophobicContact CD1-CB 3.74Å; I415-R431 HydrophobicContact CG1-CB 4.43Å; I415-L432 HydrophobicContact CD1-CB 4.47Å; I415-L432 HydrophobicContact CD1-CD1 4.04Å
416E73.8Confident70.8Confident125 Ų12585 Ų8558%0.58446%0.463SS*.Hα-helixtrans-64.1-21.3174.7-71.3177.5-172.300113.4Q412Q412-E416 HydrophobicContact CG-CG 4.27Å; Q412-E416 WeakPolarHBondContact CG-OE1 3.35Å; Q412-E416 PolarHBondContact NE2-OE1 2.81Å; Q412-E416 WeakPolarHBondContact O-CB 3.47Å; Q412-E416 WeakPolarHBondContact O-CG 3.2Å; Q412-E416 PolarHBondContact O-N 3.37Å
417A76Confident70.2Confident86 Ų8682 Ų8271%0.71146%0.461SS*.Hα-helixtrans-89.2-20.9174.200000113.6A413 E414 I415A413-A417 VanDerWaalsContact O-CB 3.23Å; A413-A417 WeakPolarHBondContact O-CB 3.29Å; A413-A417 PolarHBondContact O-N 2.9Å; A413-A417 VanDerWaalsContact O-N 3.11Å; E414-A417 PolarHBondContact O-N 3.21Å; I415-A417 PolarHBondContact O-N 2.91Å
418E73Confident69.4Low98 Ų9878 Ų7846%0.45845%0.445SS..Hα-helixtrans-82.2-34.9172.2-73177.5-128.700112E414 I415 A420 R431E414-E418 WeakPolarHBondContact O-CG 3.48Å; E414-E418 PolarHBondContact O-N 2.99Å; E414-E418 VanDerWaalsContact O-N 3.1Å; I415-E418 PolarHBondContact O-N 3Å; I415-E418 VanDerWaalsContact O-N 3.14Å; E418-A420 PolarHBondContact O-N 3.49Å; E418-R431 IonicContact OE1-CZ 3.73Å; E418-R431 IonicContact OE1-NH2 2.71Å; E418-R431 PolarHBondContact OE1-NH2 3.45Å; E418-R431 IonicContact OE2-CZ 3.85Å; E418-R431 IonicContact OE2-NH1 3.54Å; E418-R431 PolarHBondContact OE2-NH1 2.98Å; E418-R431 IonicContact OE2-NH2 2.66Å; E418-R431 PolarHBondContact OE2-NH2 3.1Å
419A67.4Low68.7Low34 Ų3482 Ų8228%0.28146%0.464SS..  trans-69.398.2-177.600000112.7I415 D424I415-A419 PolarHBondContact O-N 3.28Å; A419-D424 HydrophobicContact CB-CB 4.43Å
420A60Low68.2Low90 Ų9080.8 Ų80.874%0.74447%0.469SS*.  trans-90.4-23.8-174.800000115.2E418E418-A420 PolarHBondContact O-N 3.49Å
421D58.9Low67.5Low131 Ų13181.9 Ų81.970%0.70146%0.462SS*.SBendtrans-140.4156.5-176.9-82.5-58.4000110.8D423 D424D421-D423 PolarHBondContact O-N 3.27Å; D421-D423 VanDerWaalsContact O-N 3.11Å; D421-D424 PolarHBondContact O-N 3.38Å; D421-D424 VanDerWaalsContact O-N 3.14Å
422D57.8Low66.9Low150 Ų15079.2 Ų79.280%0.80245%0.454SS*.G310 helixtrans-57.6-27.3-173.5-79.2-34.4000114.5D424 V425D422-D424 VanDerWaalsContact C-N 3.27Å; D422-D424 PolarHBondContact O-N 3.28Å; D422-V425 WeakPolarHBondContact O-CB 3.32Å; D422-V425 VanDerWaalsContact O-CG2 3.29Å; D422-V425 WeakPolarHBondContact O-CG2 3.44Å; D422-V425 PolarHBondContact O-N 2.82Å
423D57.2Low66.3Low164 Ų16482.8 Ų82.888%0.87747%0.47SS*.G310 helixtrans-67.5-22.9179.9-79.9-34.6000113.3D421 V425D421-D423 PolarHBondContact O-N 3.27Å; D421-D423 VanDerWaalsContact O-N 3.11Å; D423-V425 VanDerWaalsContact C-N 3.27Å; D423-V425 PolarHBondContact O-N 3.04Å
424D63.3Low65.6Low54 Ų5484 Ų8429%0.28947%0.474SS..G310 helixtrans-81.4-3.7-178.7-159.726.7000113A419 D421 D422 Q426 A427 S428A419-D424 HydrophobicContact CB-CB 4.43Å; D421-D424 PolarHBondContact O-N 3.38Å; D421-D424 VanDerWaalsContact O-N 3.14Å; D422-D424 VanDerWaalsContact C-N 3.27Å; D422-D424 PolarHBondContact O-N 3.28Å; D424-Q426 PolarHBondContact O-N 3.32Å; D424-A427 PolarHBondContact O-N 3.27Å; D424-A427 WeakPolarHBondContact OD1-CB 3.24Å; D424-S428 VanDerWaalsContact O-CB 3.25Å; D424-S428 WeakPolarHBondContact O-CB 3.42Å; D424-S428 PolarHBondContact O-N 3.29Å; D424-S428 PolarHBondContact O-OG 3.43Å
425V59.2Low64.9Low71 Ų7181.1 Ų81.143%0.4346%0.461SS..Hα-helixtrans-64.4-40.9-177175.50000112.3D422 D423 S428 E429D422-V425 WeakPolarHBondContact O-CB 3.32Å; D422-V425 VanDerWaalsContact O-CG2 3.29Å; D422-V425 WeakPolarHBondContact O-CG2 3.44Å; D422-V425 PolarHBondContact O-N 2.82Å; D423-V425 VanDerWaalsContact C-N 3.27Å; D423-V425 PolarHBondContact O-N 3.04Å; V425-S428 WeakPolarHBondContact O-CB 3.27Å; V425-S428 PolarHBondContact O-N 3.01Å; V425-E429 PolarHBondContact O-N 2.85Å
426Q61Low64.7Low161 Ų16184.8 Ų84.875%0.75248%0.477SS*.Hα-helixtrans-70.3-34.3177.9-71.8-165-0.300112.9D424 A430D424-Q426 PolarHBondContact O-N 3.32Å; Q426-A430 WeakPolarHBondContact O-CB 3.48Å; Q426-A430 PolarHBondContact O-N 2.7Å; Q426-A430 VanDerWaalsContact O-N 3.07Å
427A64.9Low64.5Low45 Ų4579 Ų7937%0.37245%0.45SS..Hα-helixtrans-69.7-38.5173.600000110.9D424 A430 R431D424-A427 PolarHBondContact O-N 3.27Å; D424-A427 WeakPolarHBondContact OD1-CB 3.24Å; A427-A430 PolarHBondContact O-N 2.89Å; A427-R431 WeakPolarHBondContact O-CB 3.37Å; A427-R431 VanDerWaalsContact O-CG 3.24Å; A427-R431 WeakPolarHBondContact O-CG 3.48Å; A427-R431 PolarHBondContact O-N 3.08Å
428S63.8Low64.3Low13 Ų1379 Ų799%0.09144%0.441CS..Hα-helixtrans-59.4-48.4172.4-67.70000112.3I415 D424 V425 A430 R431 L432I415-S428 WeakPolarHBondContact CG2-OG 3.36Å; D424-S428 VanDerWaalsContact O-CB 3.25Å; D424-S428 WeakPolarHBondContact O-CB 3.42Å; D424-S428 PolarHBondContact O-N 3.29Å; D424-S428 PolarHBondContact O-OG 3.43Å; V425-S428 WeakPolarHBondContact O-CB 3.27Å; V425-S428 PolarHBondContact O-N 3.01Å; S428-A430 VanDerWaalsContact C-N 3.35Å; S428-A430 PolarHBondContact O-N 3.39Å; S428-R431 WeakPolarHBondContact O-CB 3.33Å; S428-R431 PolarHBondContact O-N 3.08Å; S428-L432 WeakPolarHBondContact O-CB 3.43Å; S428-L432 PolarHBondContact O-N 3.19Å
429E63.3Low64.1Low86 Ų8676 Ų7640%0.40243%0.428SS..Hα-helixtrans-57.1-45.7172-79.9-172.6-148.100112.4V425 R431 L432 K433V425-E429 PolarHBondContact O-N 2.85Å; E429-R431 VanDerWaalsContact C-N 3.29Å; E429-R431 PolarHBondContact O-N 2.92Å; E429-L432 PolarHBondContact O-N 2.89Å; E429-K433 WeakPolarHBondContact O-CB 3.29Å; E429-K433 WeakPolarHBondContact O-CD 3.17Å; E429-K433 VanDerWaalsContact O-CG 3.25Å; E429-K433 WeakPolarHBondContact O-CG 3.27Å; E429-K433 PolarHBondContact O-N 2.96Å; E429-K433 IonicContact OE2-NZ 3.77Å; E429-K433 PolarHBondContact OE2-NZ 2.82Å
430A65.6Low64.7Low65 Ų6578.5 Ų78.554%0.53744%0.443SS..Hα-helixtrans-64.2-35-179.600000112Q426 A427 S428Q426-A430 WeakPolarHBondContact O-CB 3.48Å; Q426-A430 PolarHBondContact O-N 2.7Å; Q426-A430 VanDerWaalsContact O-N 3.07Å; A427-A430 PolarHBondContact O-N 2.89Å; S428-A430 VanDerWaalsContact C-N 3.35Å; S428-A430 PolarHBondContact O-N 3.39Å
431R66.1Low65.8Low73 Ų7374.6 Ų74.628%0.27541%0.41SS..Hα-helixtrans-67.9-41.9171.4-70.5164.959.3155.35.2111.4I415 E418 A427 S428 E429 S434I415-R431 HydrophobicContact CD1-CB 3.74Å; I415-R431 HydrophobicContact CG1-CB 4.43Å; E418-R431 IonicContact OE1-CZ 3.73Å; E418-R431 IonicContact OE1-NH2 2.71Å; E418-R431 PolarHBondContact OE1-NH2 3.45Å; E418-R431 IonicContact OE2-CZ 3.85Å; E418-R431 IonicContact OE2-NH1 3.54Å; E418-R431 PolarHBondContact OE2-NH1 2.98Å; E418-R431 IonicContact OE2-NH2 2.66Å; E418-R431 PolarHBondContact OE2-NH2 3.1Å; A427-R431 WeakPolarHBondContact O-CB 3.37Å; A427-R431 VanDerWaalsContact O-CG 3.24Å; A427-R431 WeakPolarHBondContact O-CG 3.48Å; A427-R431 PolarHBondContact O-N 3.08Å; S428-R431 WeakPolarHBondContact O-CB 3.33Å; S428-R431 PolarHBondContact O-N 3.08Å; E429-R431 VanDerWaalsContact C-N 3.29Å; E429-R431 PolarHBondContact O-N 2.92Å; R431-S434 WeakPolarHBondContact O-CB 3.43Å; R431-S434 PolarHBondContact O-N 2.99Å; R431-S434 PolarHBondContact O-OG 3.43Å
432L66.2Low66.9Low27 Ų2772.2 Ų72.214%0.14140%0.401CS..Hα-helixtrans-66.6-39.6179.9-156.967.9000111.9Y408 Q412 I415 S428 E429 S434 H435Y408-L432 HydrophobicContact CE2-CD1 4.17Å; Y408-L432 HydrophobicContact CE2-CD2 4.4Å; Y408-L432 HydrophobicContact CE2-CG 4Å; Y408-L432 WeakPolarHBondContact OH-CD2 3.21Å; Q412-L432 HydrophobicContact CB-CD1 3.89Å; Q412-L432 HydrophobicContact CG-CD1 4.38Å; I415-L432 HydrophobicContact CD1-CB 4.47Å; I415-L432 HydrophobicContact CD1-CD1 4.04Å; S428-L432 WeakPolarHBondContact O-CB 3.43Å; S428-L432 PolarHBondContact O-N 3.19Å; E429-L432 PolarHBondContact O-N 2.89Å; L432-S434 PolarHBondContact O-N 3.14Å; L432-H435 PolarHBondContact O-N 3.33Å
433K61.9Low68.2Low106 Ų10672 Ų7246%0.46140%0.4SS..THydrogen-bonded Turntrans-59.7-1171.8-73.8160.6-179.4160.90114.5E429 Y477E429-K433 WeakPolarHBondContact O-CB 3.29Å; E429-K433 WeakPolarHBondContact O-CD 3.17Å; E429-K433 VanDerWaalsContact O-CG 3.25Å; E429-K433 WeakPolarHBondContact O-CG 3.27Å; E429-K433 PolarHBondContact O-N 2.96Å; E429-K433 IonicContact OE2-NZ 3.77Å; E429-K433 PolarHBondContact OE2-NZ 2.82Å; K433-Y477 WeakPolarHBondContact O-CD1 3.37Å; K433-Y477 WeakPolarHBondContact O-CE1 3.24Å
434S62.4Low69.6Low81 Ų8164.8 Ų64.857%0.56636%0.362SS*.THydrogen-bonded Turntrans-86.9-18.117173.40000114.7R431 L432 K436R431-S434 WeakPolarHBondContact O-CB 3.43Å; R431-S434 PolarHBondContact O-N 2.99Å; R431-S434 PolarHBondContact O-OG 3.43Å; L432-S434 PolarHBondContact O-N 3.14Å; S434-K436 PolarHBondContact O-N 3.41Å
435H67.1Low70.7Confident37 Ų3764.2 Ų64.217%0.17136%0.362CS..  trans-76.1120.8-174.4-149.792.1000111.5Y408 L432Y408-H435 HydrophobicContact CD2-CB 4.09Å; L432-H435 PolarHBondContact O-N 3.33Å
436K69.3Low71.8Confident84 Ų8464.3 Ų64.337%0.36537%0.369SS..EExtended strand (participates in β ladder)trans-123127.3-174.9-71.5-179.5170.1-172.10111.5S434 E475 V476 Y477S434-K436 PolarHBondContact O-N 3.41Å; K436-E475 IonicContact NZ-OE1 2.75Å; K436-E475 PolarHBondContact NZ-OE1 3.4Å; K436-E475 IonicContact NZ-OE2 2.83Å; K436-E475 PolarHBondContact NZ-OE2 2.97Å; K436-V476 WeakPolarHBondContact CA-O 3.06Å; K436-Y477 HydrophobicContact CD-CE1 4.39Å; K436-Y477 WeakPolarHBondContact CE-OH 3.43Å; K436-Y477 HydrophobicContact CG-CD1 4.18Å; K436-Y477 HydrophobicContact CG-CE1 3.85Å; K436-Y477 PolarHBondContact NZ-OH 3.11Å
437I69.4Low72.9Confident4 Ų462.1 Ų62.12%0.02136%0.363CS..EExtended strand (participates in β ladder)trans-80.9139164.6-61.8-174.8000108.6Y400 E404 V476 L478Y400-I437 HydrophobicContact CE1-CG2 4.04Å; E404-I437 HydrophobicContact CB-CD1 4.08Å; E404-I437 HydrophobicContact CB-CG1 4Å; I437-V476 HydrophobicContact CB-CB 4.14Å; I437-V476 HydrophobicContact CB-CG1 3.94Å; I437-V476 HydrophobicContact CD1-CG1 4.45Å; I437-V476 HydrophobicContact CG1-CG1 4.47Å; I437-V476 PolarHBondContact N-O 3.32Å; I437-L478 HydrophobicContact CD1-CD1 3.86Å; I437-L478 HydrophobicContact CD1-CD2 3.77Å; I437-L478 HydrophobicContact CD1-CG 3.76Å; I437-L478 HydrophobicContact CG1-CD1 4.45Å; I437-L478 HydrophobicContact CG1-CG 4.26Å
438T72.1Confident73.8Confident84 Ų8460 Ų6052%0.51535%0.345SS..  trans-102.3123.2173.6-560000109.8Y400 S440Y400-T438 WeakPolarHBondContact CE1-O 3.38Å; Y400-T438 PolarHBondContact OH-O 2.86Å; Y400-T438 VanDerWaalsContact OH-O 3.08Å; T438-S440 VanDerWaalsContact C-N 3.34Å; T438-S440 PolarHBondContact O-N 3.12Å; T438-S440 VanDerWaalsContact O-N 3.08Å
439L69.2Low74.8Confident35 Ų3560.2 Ų60.218%0.18335%0.345CS..SBendtrans-78.890.6165.9-64.7179.9000108.5F401 I441 E449 L450 L453 V476F401-L439 HydrophobicContact CE1-CD2 4.21Å; L439-I441 HydrophobicContact CD2-CD1 4.48Å; L439-E449 HydrophobicContact CD2-CB 4.27Å; L439-L450 HydrophobicContact CD1-CD1 4.38Å; L439-L453 HydrophobicContact CD1-CD2 4.24Å; L439-L453 HydrophobicContact CD2-CB 4.38Å; L439-L453 HydrophobicContact CD2-CD2 4.11Å; L439-V476 HydrophobicContact CD1-CG2 4.29Å; L439-V476 HydrophobicContact CG-CG2 4.45Å
440S79.6Confident75.6Confident87 Ų8758.7 Ų58.761%0.60834%0.339SS*.  trans-164.757.1174176.90000107.7T438 E449T438-S440 VanDerWaalsContact C-N 3.34Å; T438-S440 PolarHBondContact O-N 3.12Å; T438-S440 VanDerWaalsContact O-N 3.08Å; S440-E449 WeakPolarHBondContact CA-OE1 3.34Å; S440-E449 PolarHBondContact N-OE1 2.84Å; S440-E449 VanDerWaalsContact N-OE1 3.08Å
441I82.8Confident76.4Confident8 Ų856.3 Ų56.34%0.04132%0.32CS..  trans-77.2127.1-170.7-52.5177.7000109.4A397 Y400 F401 L439 D443 V444 E449A397-I441 HydrophobicContact CB-CD1 4.11Å; Y400-I441 HydrophobicContact CD1-CD1 4.25Å; Y400-I441 HydrophobicContact CD1-CG1 3.83Å; Y400-I441 HydrophobicContact CD1-CG2 4.43Å; Y400-I441 HydrophobicContact CD2-CG2 4.43Å; Y400-I441 HydrophobicContact CE1-CG1 4.15Å; Y400-I441 HydrophobicContact CG-CG1 4.21Å; Y400-I441 HydrophobicContact CG-CG2 3.98Å; F401-I441 HydrophobicContact CE1-CD1 3.53Å; F401-I441 HydrophobicContact CE2-CD1 4.35Å; F401-I441 HydrophobicContact CZ-CD1 3.43Å; F401-I441 VanDerWaalsContact CZ-CD1 3.43Å; L439-I441 HydrophobicContact CD2-CD1 4.48Å; I441-D443 PolarHBondContact O-N 3.34Å; I441-V444 HydrophobicContact CB-CB 4.01Å; I441-V444 HydrophobicContact CB-CG2 4.16Å; I441-V444 HydrophobicContact CG2-CB 4.03Å; I441-V444 HydrophobicContact CG2-CG2 3.6Å; I441-V444 PolarHBondContact O-N 2.91Å; I441-E449 HydrophobicContact CD1-CB 4.34Å; I441-E449 HydrophobicContact CD1-CG 4.13Å; I441-E449 HydrophobicContact CG1-CG 4.28Å; I441-E449 PolarHBondContact N-OE1 3.29Å
442P83.1Confident77.3Confident81 Ų8152.9 Ų52.953%0.52631%0.307SS..THydrogen-bonded Turntrans-53.9138.6173.2-26.535.6000112.1V444P442-V444 PolarHBondContact O-N 2.89Å
443D84.5Confident77.9Confident145 Ų14551.6 Ų51.678%0.77530%0.3SS*.THydrogen-bonded Turntrans59.914.6175.3-48-50.2000115.9H393 I441H393-D443 PolarHBondContact CD2-O 2.84Å; I441-D443 PolarHBondContact O-N 3.34Å
444V86Confident78.6Confident13 Ų1351 Ų518%0.07930%0.299CS..SBendtrans-116.1121.1174.1-178.80000110.3H393 A396 A397 I441 P442 A446 L448 E449 L452H393-V444 WeakPolarHBondContact O-CG2 3.21Å; A396-V444 HydrophobicContact CB-CG2 3.69Å; A397-V444 HydrophobicContact CB-CG2 4.15Å; I441-V444 HydrophobicContact CB-CB 4.01Å; I441-V444 HydrophobicContact CB-CG2 4.16Å; I441-V444 HydrophobicContact CG2-CB 4.03Å; I441-V444 HydrophobicContact CG2-CG2 3.6Å; I441-V444 PolarHBondContact O-N 2.91Å; P442-V444 PolarHBondContact O-N 2.89Å; V444-A446 PolarHBondContact O-N 2.92Å; V444-L448 HydrophobicContact CG1-CB 4.23Å; V444-E449 HydrophobicContact CB-CG 4.48Å; V444-E449 HydrophobicContact CG1-CG 3.88Å; V444-L452 HydrophobicContact CG1-CD1 3.6Å
445P86.6Confident79.4Confident43 Ų4347.9 Ų47.928%0.27928%0.275SS..  trans-60.9133.3172.5-26.836.2000112.5V387 D447 L448V387-P445 HydrophobicContact CG1-CB 3.92Å; V387-P445 HydrophobicContact CG1-CG 3.91Å; V387-P445 HydrophobicContact CG2-CB 4.44Å; P445-D447 PolarHBondContact O-N 3.17Å; P445-L448 WeakPolarHBondContact O-CB 3.47Å; P445-L448 PolarHBondContact O-N 3.16Å
446A83.3Confident79.9Confident72 Ų7246.2 Ų46.260%0.59527%0.267SS*.Hα-helixtrans-50.7-35.3-176.500000114.6V444 L448 E449V444-A446 PolarHBondContact O-N 2.92Å; A446-L448 PolarHBondContact O-N 3.03Å; A446-L448 VanDerWaalsContact O-N 3.12Å; A446-E449 PolarHBondContact O-N 3.32Å
447D83.2Confident79.9Confident116 Ų11643.4 Ų43.462%0.6226%0.256SS*.Hα-helixtrans-57.9-22.8175.4-73.8-6.2000114V387 P445V387-D447 HydrophobicContact CB-CB 4.43Å; V387-D447 HydrophobicContact CG2-CB 4.27Å; P445-D447 PolarHBondContact O-N 3.17Å
448L85.4Confident79.8Confident0 Ų045.4 Ų45.40%027%0.265CS..Hα-helixtrans-100.3-25.7-178.7-56.4-175.2000113.3Y376 V387 M389 H393 V444 P445 A446 L450 A451 L452Y376-L448 HydrophobicContact CE1-CD2 3.57Å; Y376-L448 WeakPolarHBondContact OH-CD2 3.43Å; V387-L448 HydrophobicContact CB-CD2 4.43Å; V387-L448 HydrophobicContact CG1-CD1 3.98Å; V387-L448 HydrophobicContact CG1-CD2 4.39Å; V387-L448 HydrophobicContact CG1-CG 4.12Å; M389-L448 HydrophobicContact CB-CD1 4.34Å; M389-L448 HydrophobicContact CB-CD2 4.42Å; H393-L448 HydrophobicContact CB-CD1 4.04Å; H393-L448 WeakPolarHBondContact ND1-CD1 3.39Å; V444-L448 HydrophobicContact CG1-CB 4.23Å; P445-L448 WeakPolarHBondContact O-CB 3.47Å; P445-L448 PolarHBondContact O-N 3.16Å; A446-L448 PolarHBondContact O-N 3.03Å; A446-L448 VanDerWaalsContact O-N 3.12Å; L448-L450 VanDerWaalsContact C-N 3.35Å; L448-L450 PolarHBondContact O-N 2.98Å; L448-A451 PolarHBondContact O-N 2.65Å; L448-A451 VanDerWaalsContact O-N 3.1Å; L448-L452 HydrophobicContact CB-CD1 3.8Å; L448-L452 HydrophobicContact CB-CG 4.46Å; L448-L452 WeakPolarHBondContact O-CB 3.38Å; L448-L452 WeakPolarHBondContact O-CG 3.39Å; L448-L452 PolarHBondContact O-N 2.89Å
449E83.7Confident79.6Confident18 Ų1843.7 Ų43.78%0.08425%0.25CS..Hα-helixtrans-54.8-46.4-170.3-68.8-177.2131.400113.1L439 S440 I441 V444 A446 L452 L453L439-E449 HydrophobicContact CD2-CB 4.27Å; S440-E449 WeakPolarHBondContact CA-OE1 3.34Å; S440-E449 PolarHBondContact N-OE1 2.84Å; S440-E449 VanDerWaalsContact N-OE1 3.08Å; I441-E449 HydrophobicContact CD1-CB 4.34Å; I441-E449 HydrophobicContact CD1-CG 4.13Å; I441-E449 HydrophobicContact CG1-CG 4.28Å; I441-E449 PolarHBondContact N-OE1 3.29Å; V444-E449 HydrophobicContact CB-CG 4.48Å; V444-E449 HydrophobicContact CG1-CG 3.88Å; A446-E449 PolarHBondContact O-N 3.32Å; E449-L452 PolarHBondContact O-N 3.04Å; E449-L453 WeakPolarHBondContact O-CB 3.28Å; E449-L453 PolarHBondContact O-N 3.2Å
450L79.8Confident79.4Confident54 Ų5442.2 Ų42.228%0.28324%0.243SC..Hα-helixtrans-65.9-41179.9-17763.2000111.7L439 L448 L452 L453 E454 F474L439-L450 HydrophobicContact CD1-CD1 4.38Å; L448-L450 VanDerWaalsContact C-N 3.35Å; L448-L450 PolarHBondContact O-N 2.98Å; L450-L452 VanDerWaalsContact C-N 3.34Å; L450-L453 PolarHBondContact O-N 3.22Å; L450-E454 WeakPolarHBondContact O-CB 3.23Å; L450-E454 WeakPolarHBondContact O-CG 3.48Å; L450-E454 PolarHBondContact O-N 3.13Å; L450-F474 HydrophobicContact CD2-CE2 4.44Å; L450-F474 HydrophobicContact CD2-CZ 4.38Å
451A82.6Confident78.5Confident15 Ų1539.8 Ų39.812%0.12422%0.222CC..Hα-helixtrans-69.6-33178.200000112.2Y376 M389 L448 Y455Y376-A451 HydrophobicContact CD2-CB 4.12Å; Y376-A451 HydrophobicContact CE2-CB 3.41Å; Y376-A451 VanDerWaalsContact CE2-CB 3.41Å; M389-A451 HydrophobicContact CE-CB 4.49Å; L448-A451 PolarHBondContact O-N 2.65Å; L448-A451 VanDerWaalsContact O-N 3.1Å; A451-Y455 WeakPolarHBondContact O-CB 3.42Å; A451-Y455 PolarHBondContact O-N 3.28Å; A451-Y455 VanDerWaalsContact O-N 3.11Å
452L84.9Confident77.2Confident0 Ų042.3 Ų42.30%024%0.238CC..Hα-helixtrans-71.7-36.1173.2-71.5164.8000111.6M389 H393 V394 A397 F401 V444 L448 E449 L450 W456M389-L452 HydrophobicContact CE-CD1 4.49Å; M389-L452 HydrophobicContact CE-CD2 3.58Å; M389-L452 HydrophobicContact CE-CG 3.74Å; M389-L452 HydrophobicContact CG-CD2 4.34Å; M389-L452 HydrophobicContact SD-CD2 3.67Å; M389-L452 HydrophobicContact SD-CG 4.46Å; H393-L452 HydrophobicContact CB-CD1 4.38Å; V394-L452 HydrophobicContact CB-CD2 4.39Å; V394-L452 HydrophobicContact CG2-CD2 3.77Å; A397-L452 HydrophobicContact CB-CB 3.85Å; A397-L452 HydrophobicContact CB-CD1 3.8Å; A397-L452 HydrophobicContact CB-CD2 4.47Å; A397-L452 HydrophobicContact CB-CG 4.25Å; F401-L452 HydrophobicContact CE2-CB 4.19Å; F401-L452 WeakPolarHBondContact CE2-O 3.04Å; V444-L452 HydrophobicContact CG1-CD1 3.6Å; L448-L452 HydrophobicContact CB-CD1 3.8Å; L448-L452 HydrophobicContact CB-CG 4.46Å; L448-L452 WeakPolarHBondContact O-CB 3.38Å; L448-L452 WeakPolarHBondContact O-CG 3.39Å; L448-L452 PolarHBondContact O-N 2.89Å; E449-L452 PolarHBondContact O-N 3.04Å; L450-L452 VanDerWaalsContact C-N 3.34Å; L452-W456 VanDerWaalsContact O-CB 3.28Å; L452-W456 WeakPolarHBondContact O-CB 3.25Å; L452-W456 PolarHBondContact O-N 2.81Å
453L79.4Confident76.2Confident0 Ų039 Ų390%022%0.216CC..Hα-helixtrans-68.1-50.3173.8178.970.5000111.6F401 L439 E449 L450 Y455 W456 L457 L465 V476F401-L453 HydrophobicContact CD1-CD1 3.89Å; F401-L453 HydrophobicContact CE1-CB 4.09Å; F401-L453 HydrophobicContact CE1-CD1 3.61Å; F401-L453 HydrophobicContact CE1-CG 4.42Å; F401-L453 HydrophobicContact CE2-CB 4.24Å; F401-L453 HydrophobicContact CE2-CD1 4.48Å; F401-L453 HydrophobicContact CG-CD1 4.45Å; F401-L453 HydrophobicContact CZ-CB 3.63Å; F401-L453 HydrophobicContact CZ-CD1 3.95Å; F401-L453 HydrophobicContact CZ-CG 4.4Å; L439-L453 HydrophobicContact CD1-CD2 4.24Å; L439-L453 HydrophobicContact CD2-CB 4.38Å; L439-L453 HydrophobicContact CD2-CD2 4.11Å; E449-L453 WeakPolarHBondContact O-CB 3.28Å; E449-L453 PolarHBondContact O-N 3.2Å; L450-L453 PolarHBondContact O-N 3.22Å; L453-Y455 VanDerWaalsContact C-N 3.25Å; L453-Y455 PolarHBondContact O-N 3.4Å; L453-W456 HydrophobicContact CD1-CE3 4.09Å; L453-W456 HydrophobicContact CD1-CZ3 4.47Å; L453-W456 PolarHBondContact O-N 3.37Å; L453-L457 HydrophobicContact CD1-CD1 4.17Å; L453-L457 HydrophobicContact CD1-CG 4.35Å; L453-L457 HydrophobicContact CD2-CD1 4.49Å; L453-L457 HydrophobicContact CG-CD1 3.89Å; L453-L457 HydrophobicContact CG-CG 4.48Å; L453-L457 WeakPolarHBondContact O-CD1 3.26Å; L453-L457 VanDerWaalsContact O-CG 3.28Å; L453-L457 WeakPolarHBondContact O-CG 3.31Å; L453-L457 PolarHBondContact O-N 2.69Å; L453-L465 HydrophobicContact CD2-CD1 3.56Å; L453-L465 HydrophobicContact CG-CD1 4.25Å; L453-V476 HydrophobicContact CD2-CG1 4.01Å; L453-V476 HydrophobicContact CD2-CG2 3.74Å
454E76.6Confident74.8Confident95 Ų9535.9 Ų35.944%0.44419%0.193SC..Hα-helixtrans-53.4-46.9176.2-76.3178.4157.500110.4L450 L457 E458L450-E454 WeakPolarHBondContact O-CB 3.23Å; L450-E454 WeakPolarHBondContact O-CG 3.48Å; L450-E454 PolarHBondContact O-N 3.13Å; E454-L457 PolarHBondContact O-N 3.19Å; E454-E458 PolarHBondContact O-N 3.02Å
455Y78.3Confident73.5Confident15 Ų1537.5 Ų37.56%0.05920%0.201CC..Hα-helixtrans-69.8-37.2177.7177.1-107.6000113.9D369 F372 F398 A451 L453 L457 E458 K459D369-Y455 WeakPolarHBondContact CB-OH 3.38Å; F372-Y455 HydrophobicContact CB-CD2 4.16Å; F372-Y455 HydrophobicContact CB-CE2 3.66Å; F372-Y455 AromaticContact CD1-CD1 3.5Å; F372-Y455 HydrophobicContact CD1-CD1 3.5Å; F372-Y455 VanDerWaalsContact CD1-CD1 3.5Å; F372-Y455 AromaticContact CD1-CD2 3.76Å; F372-Y455 HydrophobicContact CD1-CD2 3.76Å; F372-Y455 AromaticContact CD1-CE1 3.69Å; F372-Y455 HydrophobicContact CD1-CE1 3.69Å; F372-Y455 AromaticContact CD1-CE2 3.91Å; F372-Y455 HydrophobicContact CD1-CE2 3.91Å; F372-Y455 AromaticContact CD1-CG 3.58Å; F372-Y455 HydrophobicContact CD1-CG 3.58Å; F372-Y455 AromaticContact CD1-CZ 3.93Å; F372-Y455 AromaticContact CD2-CD2 3.38Å; F372-Y455 HydrophobicContact CD2-CD2 3.38Å; F372-Y455 AromaticContact CD2-CE2 3.79Å; F372-Y455 HydrophobicContact CD2-CE2 3.79Å; F372-Y455 AromaticContact CD2-CG 3.86Å; F372-Y455 HydrophobicContact CD2-CG 3.86Å; F372-Y455 AromaticContact CE1-CD1 3.46Å; F372-Y455 HydrophobicContact CE1-CD1 3.46Å; F372-Y455 VanDerWaalsContact CE1-CD1 3.46Å; F372-Y455 AromaticContact CE1-CD2 3.96Å; F372-Y455 HydrophobicContact CE1-CD2 3.96Å; F372-Y455 HydrophobicContact CE1-CE1 4.13Å; F372-Y455 AromaticContact CE1-CG 3.4Å; F372-Y455 HydrophobicContact CE1-CG 3.4Å; F372-Y455 VanDerWaalsContact CE1-CG 3.4Å; F372-Y455 AromaticContact CE2-CD2 3.61Å; F372-Y455 HydrophobicContact CE2-CD2 3.61Å; F372-Y455 HydrophobicContact CE2-CE2 4.45Å; F372-Y455 AromaticContact CE2-CG 3.71Å; F372-Y455 HydrophobicContact CE2-CG 3.71Å; F372-Y455 HydrophobicContact CG-CD1 4.09Å; F372-Y455 AromaticContact CG-CD2 3.47Å; F372-Y455 HydrophobicContact CG-CD2 3.47Å; F372-Y455 VanDerWaalsContact CG-CD2 3.47Å; F372-Y455 HydrophobicContact CG-CE1 4.14Å; F372-Y455 AromaticContact CG-CE2 3.48Å; F372-Y455 HydrophobicContact CG-CE2 3.48Å; F372-Y455 VanDerWaalsContact CG-CE2 3.48Å; F372-Y455 AromaticContact CG-CG 3.81Å; F372-Y455 HydrophobicContact CG-CG 3.81Å; F372-Y455 AromaticContact CG-CZ 3.89Å; F372-Y455 HydrophobicContact CZ-CD1 4.04Å; F372-Y455 AromaticContact CZ-CD2 3.9Å; F372-Y455 HydrophobicContact CZ-CD2 3.9Å; F372-Y455 AromaticContact CZ-CG 3.48Å; F372-Y455 HydrophobicContact CZ-CG 3.48Å; F372-Y455 VanDerWaalsContact CZ-CG 3.48Å; F398-Y455 HydrophobicContact CE1-CE1 4.4Å; F398-Y455 AromaticContact CE2-CD1 3.79Å; F398-Y455 HydrophobicContact CE2-CD1 3.79Å; F398-Y455 HydrophobicContact CE2-CE1 4.04Å; F398-Y455 AromaticContact CZ-CD1 3.54Å; F398-Y455 HydrophobicContact CZ-CD1 3.54Å; F398-Y455 AromaticContact CZ-CE1 3.48Å; F398-Y455 HydrophobicContact CZ-CE1 3.48Å; F398-Y455 VanDerWaalsContact CZ-CE1 3.48Å; A451-Y455 WeakPolarHBondContact O-CB 3.42Å; A451-Y455 PolarHBondContact O-N 3.28Å; A451-Y455 VanDerWaalsContact O-N 3.11Å; L453-Y455 VanDerWaalsContact C-N 3.25Å; L453-Y455 PolarHBondContact O-N 3.4Å; Y455-L457 VanDerWaalsContact C-N 3.35Å; Y455-E458 WeakPolarHBondContact O-CB 3.37Å; Y455-E458 PolarHBondContact O-N 2.98Å; Y455-K459 HydrophobicContact CE1-CG 4.36Å; Y455-K459 HydrophobicContact CE2-CD 4.17Å; Y455-K459 HydrophobicContact CE2-CG 3.91Å; Y455-K459 WeakPolarHBondContact O-CG 3.29Å; Y455-K459 PolarHBondContact O-N 3.5Å; Y455-K459 WeakPolarHBondContact OH-CE 3.33Å
456W78.6Confident71.8Confident2 Ų236.7 Ų36.71%0.00820%0.196CC..Hα-helixtrans-64.3-40.2173.2173.779.9000111.4F398 F401 E402 K405 L452 L453 K459 S460 L463 L478F398-W456 AromaticContact CD1-CD1 3.79Å; F398-W456 HydrophobicContact CD2-CB 4.47Å; F398-W456 HydrophobicContact CE1-CB 4.36Å; F398-W456 AromaticContact CE1-CD1 3.75Å; F398-W456 HydrophobicContact CE1-CG 4.46Å; F398-W456 HydrophobicContact CE2-CB 3.87Å; F398-W456 HydrophobicContact CZ-CB 3.79Å; F398-W456 HydrophobicContact CZ-CG 4.36Å; F401-W456 HydrophobicContact CB-CD2 3.42Å; F401-W456 VanDerWaalsContact CB-CD2 3.42Å; F401-W456 VanDerWaalsContact CB-CE2 3.43Å; F401-W456 HydrophobicContact CB-CE3 3.8Å; F401-W456 HydrophobicContact CB-CG 3.82Å; F401-W456 HydrophobicContact CB-CH2 4.13Å; F401-W456 HydrophobicContact CB-CZ2 3.8Å; F401-W456 HydrophobicContact CB-CZ3 4.13Å; F401-W456 HydrophobicContact CD2-CB 3.52Å; F401-W456 AromaticContact CD2-CD2 3.92Å; F401-W456 HydrophobicContact CD2-CD2 3.92Å; F401-W456 HydrophobicContact CD2-CE3 4.31Å; F401-W456 AromaticContact CD2-CG 3.56Å; F401-W456 HydrophobicContact CD2-CG 3.56Å; F401-W456 HydrophobicContact CE2-CB 3.97Å; F401-W456 HydrophobicContact CE2-CG 4.47Å; F401-W456 HydrophobicContact CG-CB 4.39Å; F401-W456 AromaticContact CG-CD2 3.9Å; F401-W456 HydrophobicContact CG-CD2 3.9Å; F401-W456 HydrophobicContact CG-CE3 4.05Å; F401-W456 HydrophobicContact CG-CG 4.03Å; E402-W456 PolarHBondContact OE1-NE1 3.05Å; K405-W456 HydrophobicContact CB-CH2 4.03Å; K405-W456 HydrophobicContact CB-CZ2 3.93Å; K405-W456 HydrophobicContact CD-CH2 4.22Å; K405-W456 HydrophobicContact CD-CZ2 3.8Å; K405-W456 HydrophobicContact CG-CZ2 4.47Å; L452-W456 VanDerWaalsContact O-CB 3.28Å; L452-W456 WeakPolarHBondContact O-CB 3.25Å; L452-W456 PolarHBondContact O-N 2.81Å; L453-W456 HydrophobicContact CD1-CE3 4.09Å; L453-W456 HydrophobicContact CD1-CZ3 4.47Å; L453-W456 PolarHBondContact O-N 3.37Å; W456-K459 CarbonylContact O-C 3.55Å; W456-K459 PolarHBondContact O-N 2.98Å; W456-S460 WeakPolarHBondContact O-CB 3.2Å; W456-S460 PolarHBondContact O-N 3.49Å; W456-L463 HydrophobicContact CH2-CD1 3.78Å; W456-L463 HydrophobicContact CZ3-CD1 4.49Å; W456-L478 HydrophobicContact CZ3-CD2 4.38Å
457L68.2Low70.4Confident25 Ų2535.3 Ų35.313%0.13118%0.18CC..Hα-helixtrans-63.2-46176.4-69.8162.2000112L453 E454 Y455 K459 S460 Q461 L463 L465L453-L457 HydrophobicContact CD1-CD1 4.17Å; L453-L457 HydrophobicContact CD1-CG 4.35Å; L453-L457 HydrophobicContact CD2-CD1 4.49Å; L453-L457 HydrophobicContact CG-CD1 3.89Å; L453-L457 HydrophobicContact CG-CG 4.48Å; L453-L457 WeakPolarHBondContact O-CD1 3.26Å; L453-L457 VanDerWaalsContact O-CG 3.28Å; L453-L457 WeakPolarHBondContact O-CG 3.31Å; L453-L457 PolarHBondContact O-N 2.69Å; E454-L457 PolarHBondContact O-N 3.19Å; Y455-L457 VanDerWaalsContact C-N 3.35Å; L457-K459 PolarHBondContact O-N 3.29Å; L457-K459 VanDerWaalsContact O-N 3.17Å; L457-S460 PolarHBondContact O-N 2.89Å; L457-Q461 PolarHBondContact O-N 3.29Å; L457-Q461 VanDerWaalsContact O-N 3.09Å; L457-L463 HydrophobicContact CD2-CB 4.47Å; L457-L465 HydrophobicContact CD1-CB 3.78Å; L457-L465 HydrophobicContact CD1-CD1 3.46Å; L457-L465 VanDerWaalsContact CD1-CD1 3.46Å; L457-L465 HydrophobicContact CD1-CG 4.27Å
458E68.4Low68.4Low45 Ų4533.1 Ų33.121%0.2117%0.168CC..Hα-helixtrans-50.2-37.1172.2-163-159.4101.500112E306 E454 Y455 Q461E306-E458 HydrophobicContact CG-CG 3.99Å; E306-E458 WeakPolarHBondContact OE2-CG 3.33Å; E454-E458 PolarHBondContact O-N 3.02Å; Y455-E458 WeakPolarHBondContact O-CB 3.37Å; Y455-E458 PolarHBondContact O-N 2.98Å; E458-Q461 PolarHBondContact O-NE2 3.34Å
459K68.1Low66.4Low48 Ų4838.1 Ų38.121%0.20919%0.191CC..Hα-helixtrans-96.9-5177.7-55-43.7-160.5-1420115.1R313 D369 Y455 W456 L457R313-K459 PolarHBondContact NH1-O 3.33Å; D369-K459 IonicContact OD2-NZ 2.58Å; Y455-K459 HydrophobicContact CE1-CG 4.36Å; Y455-K459 HydrophobicContact CE2-CD 4.17Å; Y455-K459 HydrophobicContact CE2-CG 3.91Å; Y455-K459 WeakPolarHBondContact O-CG 3.29Å; Y455-K459 PolarHBondContact O-N 3.5Å; Y455-K459 WeakPolarHBondContact OH-CE 3.33Å; W456-K459 CarbonylContact O-C 3.55Å; W456-K459 PolarHBondContact O-N 2.98Å; L457-K459 PolarHBondContact O-N 3.29Å; L457-K459 VanDerWaalsContact O-N 3.17Å
460S64.5Low64.4Low5 Ų545.6 Ų45.64%0.03522%0.218CC..Hα-helixtrans-94.4-43.5-177.8-177.30000111.5A310 K405 W456 L457 T462A310-S460 WeakPolarHBondContact CB-O 3.11Å; K405-S460 PolarHBondContact NZ-OG 3.33Å; W456-S460 WeakPolarHBondContact O-CB 3.2Å; W456-S460 PolarHBondContact O-N 3.49Å; L457-S460 PolarHBondContact O-N 2.89Å; S460-T462 PolarHBondContact O-N 2.94Å
461Q60.2Low62.4Low35 Ų3547.2 Ų47.216%0.16425%0.249CC..  trans62.6-24.4167.2-46.2-170.8-600117.8E306 K307 A310 L457 E458 L463E306-Q461 VanDerWaalsContact C-OE1 3.25Å; E306-Q461 WeakPolarHBondContact O-CB 3.42Å; E306-Q461 VanDerWaalsContact O-CD 3.25Å; E306-Q461 WeakPolarHBondContact O-CG 3.44Å; E306-Q461 PolarHBondContact O-OE1 2.91Å; K307-Q461 PolarHBondContact O-OE1 3.06Å; A310-Q461 HydrophobicContact CB-CB 3.92Å; A310-Q461 HydrophobicContact CB-CG 3.77Å; L457-Q461 PolarHBondContact O-N 3.29Å; L457-Q461 VanDerWaalsContact O-N 3.09Å; E458-Q461 PolarHBondContact O-NE2 3.34Å; Q461-L463 VanDerWaalsContact C-N 3.28Å
462T56.5Low60.4Low61 Ų6149.5 Ų49.537%0.37427%0.273SS..SBendtrans-84.3-4175.165.60000112.6K405 S460K405-T462 PolarHBondContact NZ-OG1 3.26Å; S460-T462 PolarHBondContact O-N 2.94Å
463L60.5Low58.4Low11 Ų1159.1 Ų59.16%0.05831%0.309CS..  trans-137.2126.8-172.4-64.3170.9000110.4K405 Y408 W456 L457 Q461 L478K405-L463 HydrophobicContact CB-CD1 4.35Å; K405-L463 HydrophobicContact CD-CD1 3.76Å; K405-L463 HydrophobicContact CG-CD1 3.88Å; Y408-L463 HydrophobicContact CD1-CD2 4.02Å; Y408-L463 HydrophobicContact CE1-CD2 3.77Å; W456-L463 HydrophobicContact CH2-CD1 3.78Å; W456-L463 HydrophobicContact CZ3-CD1 4.49Å; L457-L463 HydrophobicContact CD2-CB 4.47Å; Q461-L463 VanDerWaalsContact C-N 3.28Å; L463-L478 HydrophobicContact CB-CD2 4.22Å; L463-L478 HydrophobicContact CD1-CD1 3.84Å; L463-L478 HydrophobicContact CD1-CD2 4.04Å; L463-L478 HydrophobicContact CD1-CG 4.45Å; L463-L478 HydrophobicContact CD2-CB 4.32Å; L463-L478 HydrophobicContact CD2-CD1 4.45Å
464R56.2Low56.9Low80 Ų8062.5 Ų62.530%0.30232%0.324SS..EExtended strand (participates in β ladder)trans-99.1156.5169.6-70167172.6-93.46.9109.4T479 D481 E482 A484 E485R464-T479 HydrophobicContact CB-CG2 4.24Å; R464-T479 PolarHBondContact N-O 3.07Å; R464-T479 PolarHBondContact O-N 3.49Å; R464-D481 VanDerWaalsContact CD-O 3.24Å; R464-D481 WeakPolarHBondContact CD-O 3.22Å; R464-E482 IonicContact NH2-OE1 2.68Å; R464-A484 HydrophobicContact CB-CB 4.24Å; R464-E485 IonicContact CZ-OE1 2.89Å; R464-E485 IonicContact NH1-OE1 2.89Å; R464-E485 PolarHBondContact NH1-OE1 3.18Å; R464-E485 IonicContact NH2-OE1 2.74Å
465L58Low55.7Low47 Ų4760.3 Ų60.325%0.24631%0.314CS..EExtended strand (participates in β ladder)trans-111.3124.2-178.5-179.2153.2000110.4L453 L457 T467 V476 Y477L453-L465 HydrophobicContact CD2-CD1 3.56Å; L453-L465 HydrophobicContact CG-CD1 4.25Å; L457-L465 HydrophobicContact CD1-CB 3.78Å; L457-L465 HydrophobicContact CD1-CD1 3.46Å; L457-L465 VanDerWaalsContact CD1-CD1 3.46Å; L457-L465 HydrophobicContact CD1-CG 4.27Å; L465-T467 HydrophobicContact CD2-CG2 4.01Å; L465-T467 WeakPolarHBondContact CD2-OG1 3.34Å; L465-V476 HydrophobicContact CD1-CB 4.4Å; L465-V476 HydrophobicContact CD1-CG1 3.6Å; L465-V476 HydrophobicContact CD1-CG2 4.09Å; L465-V476 HydrophobicContact CG-CG1 4.09Å; L465-Y477 WeakPolarHBondContact CA-O 3.41Å
466V50.6Low54.8Low27 Ų2759.6 Ų59.616%0.16431%0.312CS..EExtended strand (participates in β ladder)trans-98123.1160.8-179.80000107.6Y477 T479 A484V466-Y477 PolarHBondContact N-O 3.44Å; V466-Y477 VanDerWaalsContact N-O 3.14Å; V466-Y477 PolarHBondContact O-N 2.93Å; V466-Y477 VanDerWaalsContact O-N 3.12Å; V466-T479 HydrophobicContact CG2-CG2 4.24Å; V466-A484 HydrophobicContact CG2-CB 4.15Å
467T54.1Low53.9Low43 Ų4361.7 Ų61.726%0.26432%0.32SS..EExtended strand (participates in β ladder)trans-100.4122.3176.9-12.40000109.7L465 F474 E475L465-T467 HydrophobicContact CD2-CG2 4.01Å; L465-T467 WeakPolarHBondContact CD2-OG1 3.34Å; T467-F474 HydrophobicContact CG2-CB 4.2Å; T467-F474 HydrophobicContact CG2-CD1 3.86Å; T467-E475 WeakPolarHBondContact CA-O 3.27Å
468L42.5Very low53.6Low70 Ų7060.9 Ų60.937%0.36632%0.315SS..EExtended strand (participates in β ladder)trans-101113.7156.4-103.878.4000109.1R470 E475 Y477L468-R470 PolarHBondContact O-N 3.19Å; L468-E475 HydrophobicContact CB-CB 4.16Å; L468-E475 PolarHBondContact N-O 3.41Å; L468-E475 PolarHBondContact O-N 3.3Å; L468-Y477 HydrophobicContact CB-CE2 4.3Å; L468-Y477 HydrophobicContact CD1-CE2 4.3Å
469Q43.6Very low53.2Low105 Ų10559.9 Ų59.949%0.49131%0.313SS..EExtended strand (participates in β ladder)trans-80.9104.7166.3-165.1-179.519.200108.7R473 F474Q469-R473 WeakPolarHBondContact CA-O 3.28Å; Q469-F474 HydrophobicContact CG-CD1 4.48Å; Q469-F474 HydrophobicContact CG-CE1 4.37Å
470R40.7Very low52.8Low174 Ų17461.4 Ų61.466%0.65732%0.323SS*.EExtended strand (participates in β ladder)trans-127.1120.9-179.2-120.2-178.8175.3-175.1-2.2109.9L468 G472 R473L468-R470 PolarHBondContact O-N 3.19Å; R470-G472 VanDerWaalsContact C-N 3.25Å; R470-G472 PolarHBondContact O-N 3.32Å; R470-R473 PolarHBondContact N-O 3.33Å; R470-R473 PolarHBondContact O-N 3.47Å
471G38.2Very low52.5Low89 Ų8964.1 Ų64.192%0.91834%0.337SS*.THydrogen-bonded Turntrans59.330.6177.100000114.8R473G471-R473 VanDerWaalsContact C-N 3.27Å; G471-R473 PolarHBondContact O-N 2.85Å
472G39.3Very low52.1Low62 Ų6267.8 Ų67.864%0.63935%0.354SS*.THydrogen-bonded Turntrans81-4.3-17700000115.2R470R470-G472 VanDerWaalsContact C-N 3.25Å; R470-G472 PolarHBondContact O-N 3.32Å
473R44.4Very low51.7Low202 Ų20267.3 Ų67.376%0.76235%0.353SS*.EExtended strand (participates in β ladder)trans-95.1147.4170.1-61.3-178.2-174.9169.91.4110.3Q469 R470 G471Q469-R473 WeakPolarHBondContact CA-O 3.28Å; R470-R473 PolarHBondContact N-O 3.33Å; R470-R473 PolarHBondContact O-N 3.47Å; G471-R473 VanDerWaalsContact C-N 3.27Å; G471-R473 PolarHBondContact O-N 2.85Å
474F47.8Very low51.1Low72 Ų7267.1 Ų67.132%0.31635%0.354SS..EExtended strand (participates in β ladder)trans-91.7112.4168.5-60.9-82.3000108.3L450 T467 Q469L450-F474 HydrophobicContact CD2-CE2 4.44Å; L450-F474 HydrophobicContact CD2-CZ 4.38Å; T467-F474 HydrophobicContact CG2-CB 4.2Å; T467-F474 HydrophobicContact CG2-CD1 3.86Å; Q469-F474 HydrophobicContact CG-CD1 4.48Å; Q469-F474 HydrophobicContact CG-CE1 4.37Å
475E51Low50.4Low48 Ų4869 Ų6922%0.22437%0.366CS..EExtended strand (participates in β ladder)trans-84.2117.9167-54.1-153.7114.900108.2K436 T467 L468 Y477K436-E475 IonicContact NZ-OE1 2.75Å; K436-E475 PolarHBondContact NZ-OE1 3.4Å; K436-E475 IonicContact NZ-OE2 2.83Å; K436-E475 PolarHBondContact NZ-OE2 2.97Å; T467-E475 WeakPolarHBondContact CA-O 3.27Å; L468-E475 HydrophobicContact CB-CB 4.16Å; L468-E475 PolarHBondContact N-O 3.41Å; L468-E475 PolarHBondContact O-N 3.3Å; E475-Y477 HydrophobicContact CB-CE2 3.93Å
476V58.9Low49.3Very low1 Ų169.6 Ų69.61%0.00637%0.374CS..EExtended strand (participates in β ladder)trans-103.7113.3-176.4171.50000109.1K436 I437 L439 L453 L465K436-V476 WeakPolarHBondContact CA-O 3.06Å; I437-V476 HydrophobicContact CB-CB 4.14Å; I437-V476 HydrophobicContact CB-CG1 3.94Å; I437-V476 HydrophobicContact CD1-CG1 4.45Å; I437-V476 HydrophobicContact CG1-CG1 4.47Å; I437-V476 PolarHBondContact N-O 3.32Å; L439-V476 HydrophobicContact CD1-CG2 4.29Å; L439-V476 HydrophobicContact CG-CG2 4.45Å; L453-V476 HydrophobicContact CD2-CG1 4.01Å; L453-V476 HydrophobicContact CD2-CG2 3.74Å; L465-V476 HydrophobicContact CD1-CB 4.4Å; L465-V476 HydrophobicContact CD1-CG1 3.6Å; L465-V476 HydrophobicContact CD1-CG2 4.09Å; L465-V476 HydrophobicContact CG-CG1 4.09Å
477Y60.7Low48.5Very low45 Ų4574.1 Ų74.118%0.17639%0.389CS..EExtended strand (participates in β ladder)trans-104.5131.6173.2-60.8-93.9000109.6K433 K436 L465 V466 L468 E475K433-Y477 WeakPolarHBondContact O-CD1 3.37Å; K433-Y477 WeakPolarHBondContact O-CE1 3.24Å; K436-Y477 HydrophobicContact CD-CE1 4.39Å; K436-Y477 WeakPolarHBondContact CE-OH 3.43Å; K436-Y477 HydrophobicContact CG-CD1 4.18Å; K436-Y477 HydrophobicContact CG-CE1 3.85Å; K436-Y477 PolarHBondContact NZ-OH 3.11Å; L465-Y477 WeakPolarHBondContact CA-O 3.41Å; V466-Y477 PolarHBondContact N-O 3.44Å; V466-Y477 VanDerWaalsContact N-O 3.14Å; V466-Y477 PolarHBondContact O-N 2.93Å; V466-Y477 VanDerWaalsContact O-N 3.12Å; L468-Y477 HydrophobicContact CB-CE2 4.3Å; L468-Y477 HydrophobicContact CD1-CE2 4.3Å; E475-Y477 HydrophobicContact CB-CE2 3.93Å
478L62.3Low47.7Very low8 Ų875.1 Ų75.14%0.04240%0.402CS..EExtended strand (participates in β ladder)trans-83141.9168-67.7-173.9000109.9Y408 I437 W456 L463Y408-L478 HydrophobicContact CD1-CB 4.49Å; Y408-L478 HydrophobicContact CD1-CD1 4.29Å; Y408-L478 HydrophobicContact CD2-CB 3.63Å; Y408-L478 HydrophobicContact CD2-CD1 4.11Å; Y408-L478 HydrophobicContact CD2-CG 4.46Å; Y408-L478 HydrophobicContact CE2-CB 3.72Å; Y408-L478 WeakPolarHBondContact CE2-O 3.4Å; Y408-L478 HydrophobicContact CG-CB 4.04Å; Y408-L478 HydrophobicContact CG-CD1 3.76Å; I437-L478 HydrophobicContact CD1-CD1 3.86Å; I437-L478 HydrophobicContact CD1-CD2 3.77Å; I437-L478 HydrophobicContact CD1-CG 3.76Å; I437-L478 HydrophobicContact CG1-CD1 4.45Å; I437-L478 HydrophobicContact CG1-CG 4.26Å; W456-L478 HydrophobicContact CZ3-CD2 4.38Å; L463-L478 HydrophobicContact CB-CD2 4.22Å; L463-L478 HydrophobicContact CD1-CD1 3.84Å; L463-L478 HydrophobicContact CD1-CD2 4.04Å; L463-L478 HydrophobicContact CD1-CG 4.45Å; L463-L478 HydrophobicContact CD2-CB 4.32Å; L463-L478 HydrophobicContact CD2-CD1 4.45Å
479T59Low47.4Very low25 Ų2575.6 Ų75.615%0.15341%0.405CS..EExtended strand (participates in β ladder)trans-154.6147.3167.4-175.90000111.5R464 V466 D481 A484R464-T479 HydrophobicContact CB-CG2 4.24Å; R464-T479 PolarHBondContact N-O 3.07Å; R464-T479 PolarHBondContact O-N 3.49Å; V466-T479 HydrophobicContact CG2-CG2 4.24Å; T479-D481 WeakPolarHBondContact OG1-CB 3.25Å; T479-D481 PolarHBondContact OG1-N 2.7Å; T479-A484 HydrophobicContact CG2-CB 3.64Å
480D60.8Low46.8Very low79 Ų7979.1 Ų79.142%0.42242%0.421SS..  trans-89.2-8.7171.649.8-23.8000113.3Y408 Q412 E482Y408-D480 PolarHBondContact OH-OD1 3.07Å; Q412-D480 PolarHBondContact NE2-OD2 2.7Å; D480-E482 PolarHBondContact O-N 3.08Å
481D56.6Low46.3Very low62 Ų6272.5 Ų72.533%0.33241%0.407SS..  trans-67.5120.6179.1177.221.4000112.6R464 T479 S483 A484R464-D481 VanDerWaalsContact CD-O 3.24Å; R464-D481 WeakPolarHBondContact CD-O 3.22Å; T479-D481 WeakPolarHBondContact OG1-CB 3.25Å; T479-D481 PolarHBondContact OG1-N 2.7Å; D481-S483 PolarHBondContact O-N 3.31Å; D481-S483 VanDerWaalsContact OD1-CB 3.26Å; D481-S483 WeakPolarHBondContact OD1-CB 3.38Å; D481-S483 PolarHBondContact OD1-N 3.05Å; D481-S483 PolarHBondContact OD1-OG 3.2Å; D481-S483 WeakPolarHBondContact OD2-CB 3.47Å; D481-S483 PolarHBondContact OD2-OG 2.91Å; D481-A484 VanDerWaalsContact O-CB 3.26Å; D481-A484 WeakPolarHBondContact O-CB 3.43Å; D481-A484 PolarHBondContact O-N 2.97Å
482E51.5Low45.9Very low112 Ų11274 Ų7452%0.52340%0.401SS..THydrogen-bonded Turntrans-65.2-21.7175.1-57.4-143.291.500113K307 R464 D480 A484K307-E482 IonicContact NZ-OE1 3.29Å; K307-E482 PolarHBondContact NZ-OE1 3.42Å; K307-E482 IonicContact NZ-OE2 2.7Å; K307-E482 PolarHBondContact NZ-OE2 3.4Å; K307-E482 VanDerWaalsContact NZ-OE2 3.1Å; R464-E482 IonicContact NH2-OE1 2.68Å; D480-E482 PolarHBondContact O-N 3.08Å; E482-A484 PolarHBondContact O-N 2.66Å
483S48.1Very low45.4Very low51 Ų5176.6 Ų76.636%0.35741%0.409SS..THydrogen-bonded Turntrans-74.8-9.4178.3103.70000114D481 E485 S486 Y487D481-S483 PolarHBondContact O-N 3.31Å; D481-S483 VanDerWaalsContact OD1-CB 3.26Å; D481-S483 WeakPolarHBondContact OD1-CB 3.38Å; D481-S483 PolarHBondContact OD1-N 3.05Å; D481-S483 PolarHBondContact OD1-OG 3.2Å; D481-S483 WeakPolarHBondContact OD2-CB 3.47Å; D481-S483 PolarHBondContact OD2-OG 2.91Å; S483-E485 PolarHBondContact O-N 2.89Å; S483-S486 WeakPolarHBondContact O-CB 3.46Å; S483-S486 PolarHBondContact O-N 2.89Å; S483-S486 PolarHBondContact O-OG 2.99Å; S483-Y487 WeakPolarHBondContact OG-CE2 3.19Å
484A48.7Very low44.8Very low8 Ų873.3 Ų73.37%0.06641%0.411CS..Hα-helixtrans-52.1-25.9-174.300000115.8R464 V466 T479 D481 E482 S486R464-A484 HydrophobicContact CB-CB 4.24Å; V466-A484 HydrophobicContact CG2-CB 4.15Å; T479-A484 HydrophobicContact CG2-CB 3.64Å; D481-A484 VanDerWaalsContact O-CB 3.26Å; D481-A484 WeakPolarHBondContact O-CB 3.43Å; D481-A484 PolarHBondContact O-N 2.97Å; E482-A484 PolarHBondContact O-N 2.66Å; A484-S486 PolarHBondContact O-N 2.99Å
485E41.8Very low43.9Very low118 Ų11876.4 Ų76.455%0.55144%0.442SS*.Hα-helixtrans-62.7-22.8174.1-74.1179.9-142.300113.7R464 S483 N489R464-E485 IonicContact CZ-OE1 2.89Å; R464-E485 IonicContact NH1-OE1 2.89Å; R464-E485 PolarHBondContact NH1-OE1 3.18Å; R464-E485 IonicContact NH2-OE1 2.74Å; S483-E485 PolarHBondContact O-N 2.89Å; E485-N489 PolarHBondContact O-ND2 3.49Å
486S34.8Very low42.8Very low61 Ų6176.9 Ų76.943%0.42746%0.46SS..Hα-helixtrans-73.4-53.6178.365.80000112.1S483 A484 A488 N489S483-S486 WeakPolarHBondContact O-CB 3.46Å; S483-S486 PolarHBondContact O-N 2.89Å; S483-S486 PolarHBondContact O-OG 2.99Å; A484-S486 PolarHBondContact O-N 2.99Å; S486-A488 PolarHBondContact O-N 3.42Å; S486-N489 PolarHBondContact O-N 3.29Å; S486-N489 PolarHBondContact O-ND2 3.39Å
487Y34.5Very low41.3Very low121 Ų12185.2 Ų85.248%0.47550%0.499SS..Hα-helixtrans-55.5-28.4-173.2-71-74.1000114.3S483 N489 E490S483-Y487 WeakPolarHBondContact OG-CE2 3.19Å; Y487-N489 PolarHBondContact O-N 3.49Å; Y487-N489 VanDerWaalsContact O-N 3.14Å; Y487-E490 PolarHBondContact O-N 3.12Å
488A36.6Very low39.7Very low65 Ų6589.7 Ų89.754%0.53752%0.52SS..THydrogen-bonded Turntrans-61.2-19.117500000114S486S486-A488 PolarHBondContact O-N 3.42Å
489N35.3Very low38Very low79 Ų7996.6 Ų96.642%0.42255%0.552SS.*THydrogen-bonded Turntrans-91.3-36.2178.2-59.5-87.4000112.1E485 S486 Y487 G491 K498 K500E485-N489 PolarHBondContact O-ND2 3.49Å; S486-N489 PolarHBondContact O-N 3.29Å; S486-N489 PolarHBondContact O-ND2 3.39Å; Y487-N489 PolarHBondContact O-N 3.49Å; Y487-N489 VanDerWaalsContact O-N 3.14Å; N489-G491 PolarHBondContact O-N 2.79Å; N489-K498 PolarHBondContact O-NZ 3.01Å; N489-K500 WeakPolarHBondContact OD1-CE 3.41Å; N489-K500 PolarHBondContact OD1-NZ 3.2Å
490E30.8Very low36.5Very low179 Ų179103.1 Ų103.184%0.83658%0.578SS**  trans-94.839.5-167.1-56.6-158.716500114.8Y487Y487-E490 PolarHBondContact O-N 3.12Å
491G30.6Very low35.1Very low35 Ų35103.4 Ų103.436%0.36158%0.579SS.*SBendtrans-87.7127164.200000111.6N489 K498N489-G491 PolarHBondContact O-N 2.79Å; G491-K498 PolarHBondContact O-NZ 3.42Å
492P31.4Very low33.7Very low121 Ų121108.6 Ų108.679%0.78660%0.598SS**  trans-59.8145.2-173.423.4-34000112.9T494P492-T494 PolarHBondContact O-N 3.24Å
493S27.4Very low32.7Very low117 Ų117108.6 Ų108.682%0.81861%0.606SS**  trans-72.498.5-167.856.10000113.3
494T32.1Very low31.8Very low132 Ų132109.1 Ų109.181%0.8161%0.61SS**  trans-118.9151.6154.648.90000109.4P492 G496P492-T494 PolarHBondContact O-N 3.24Å; T494-G496 PolarHBondContact O-N 3.07Å
495S28.6Very low30.7Very low137 Ų137117.5 Ų117.596%0.95865%0.645SS**SBendtrans-75.894-162.652.50000113.5
496G27.9Very low30.1Very low59 Ų59121 Ų12161%0.60865%0.653SS**  trans-138.2149.7166.600000110.7T494 K498T494-G496 PolarHBondContact O-N 3.07Å; G496-K498 PolarHBondContact O-N 3.26Å
497Q27.4Very low29.8Very low176 Ų176122.7 Ų122.782%0.82266%0.66SS**  trans-69.893.8-178.2-72.2-178.6-27.500111.2Q499Q497-Q499 PolarHBondContact O-N 3.42Å
498K26.7Very low29.7Very low139 Ų139123.3 Ų123.360%0.60467%0.672SS**  trans-65.289.4173.2-69.8-168.4177.3-172.80110.8N489 G491 G496 K500N489-K498 PolarHBondContact O-NZ 3.01Å; G491-K498 PolarHBondContact O-NZ 3.42Å; G496-K498 PolarHBondContact O-N 3.26Å; K498-K500 PolarHBondContact O-N 2.89Å
499Q28.3Very low29.4Very low153 Ų153124 Ų12472%0.71568%0.678SS**  trans-69.5114.9161.7-78.5-167.2-5.500108.9Q497 L501Q497-Q499 PolarHBondContact O-N 3.42Å; Q499-L501 PolarHBondContact O-N 2.78Å
500K27.1Very low29.2Very low161 Ų161124.7 Ų124.770%0.769%0.685SS**  trans-69.6108.5164.3-78.1-163.6166.9-160.80108.6N489 K498 K502N489-K500 WeakPolarHBondContact OD1-CE 3.41Å; N489-K500 PolarHBondContact OD1-NZ 3.2Å; K498-K500 PolarHBondContact O-N 2.89Å; K500-K502 PolarHBondContact O-N 3.11Å; K500-K502 VanDerWaalsContact O-N 3.16Å
501L30.4Very low29Very low86 Ų86123.3 Ų123.345%0.4568%0.681SS.*  trans-54.5120.5154.4-95.975.1000106.9Q499Q499-L501 PolarHBondContact O-N 2.78Å
502K26.7Very low28.9Very low170 Ų170127.1 Ų127.174%0.73970%0.7SS**  trans-90.1106.6164.5-73.2-174.5174.4-173.90106.1K500K500-K502 PolarHBondContact O-N 3.11Å; K500-K502 VanDerWaalsContact O-N 3.16Å
503T31Very low28.7Very low112 Ų112130.4 Ų130.469%0.68771%0.705SS**  trans-47.9146.6159.840.40000109.7K505T503-K505 PolarHBondContact O-N 3.27Å
504S28.9Very low28.7Very low62 Ų62129 Ų12943%0.43470%0.701SS.*SBendtrans-60.4108.8-147-1650000114.5
505K26.7Very low28.8Very low185 Ų185127.2 Ų127.280%0.80470%0.699SS**SBendtrans-131.542.5153.5-71.2-163.5173.4-172.30109.5T503T503-K505 PolarHBondContact O-N 3.27Å
506R28.7Very low29Very low191 Ų191129.1 Ų129.172%0.72169%0.69SS**SBendtrans-143-5.1-173.1-128.7178.5-175.2-176.4-0.9116.7
507V29.3Very low29.2Very low96 Ų96134.7 Ų134.758%0.58270%0.7SS**SBendtrans-74.3-38.3166-1800000110.4A509 V510V507-A509 PolarHBondContact O-N 2.93Å; V507-V510 PolarHBondContact O-N 3.02Å; V507-V510 VanDerWaalsContact O-N 3.17Å
508D30.9Very low29.2Very low134 Ų134135.5 Ų135.572%0.71770%0.701SS**THydrogen-bonded Turntrans-59.8-12176.4-53.5-54.3000114.7
509A31.9Very low29.6Very low79 Ų79135.1 Ų135.165%0.65371%0.712SS**THydrogen-bonded Turntrans-92.27.3-179.200000113.9V507V507-A509 PolarHBondContact O-N 2.93Å
510V29.5Very low29.8Very low94 Ų94136.6 Ų136.657%0.5772%0.72SS**  trans-126.523.8-172.5-153.10000113.5V507 P512V507-V510 PolarHBondContact O-N 3.02Å; V507-V510 VanDerWaalsContact O-N 3.17Å; V510-P512 WeakPolarHBondContact O-CD 3.29Å
511I27Very low30.2Very low150 Ų150134.2 Ų134.277%0.76972%0.723SS**  trans-94.4114.7162.6-64.3168.1000108.4
512P28.8Very low30.5Very low115 Ų115141.2 Ų141.275%0.74774%0.743SS**  trans-78.9127.2174.3-926.4000110.9V510V510-P512 WeakPolarHBondContact O-CD 3.29Å
513E27.6Very low30.9Very low190 Ų190141 Ų14189%0.88875%0.745SS**  trans-63161.4153.7-71.2-172107.500110.7
514A28.1Very low31.1Very low89 Ų89144.4 Ų144.474%0.73675%0.751SS**  trans71.573.4173.400000118.4
515A33.1Very low31.4Very low94 Ų94149.9 Ų149.978%0.77777%0.766SS**  -92.7108.5125.900000107.2
516K32.3Very low31.9Very low177 Ų177148.3 Ų148.377%0.7776%0.76SS**  68.6123.582.8-69.9173.4-174.5178.80112.1
517Q32.7Very low32.3Very low175 Ų175146.8 Ų146.882%0.81876%0.761SS**  cis-149.3155.16.3-95.9142.2-26.300111.5
518K28Very low32.6Very low194 Ų194145.3 Ų145.384%0.84377%0.765SS**  trans-100141.9154.4-81.5-177.4174.7178.20109.2
519P34.6Very low32.9Very low130 Ų130150.6 Ų150.684%0.84478%0.775SS**  trans-89.6134.7161.533.6-29.4000110.9
520E31.9Very low33Very low185 Ų185153.4 Ų153.486%0.86478%0.784SS**  trans-111.5135165.2-67-168.1149.100110
521S36.2Very low33.4Very low111 Ų111153.2 Ų153.278%0.77679%0.792SS**  trans-176123.5135.151.70000114.8
522R36.4Very low33.8Very low232 Ų232153.3 Ų153.388%0.87580%0.8SS**  trans52.799.7137.5-63.4-179.9172.7178.2-3121.4
523Q34.9Very low34.2Very low167 Ų167152.4 Ų152.478%0.7880%0.796SS**  46.8109.7120-64.3-173.3-2.700121.3
524K36.2Very low34.6Very low183 Ų183152.6 Ų152.680%0.79679%0.794SS**  172.7134.6100.4-98.5157.5-174.8173.10115.9
525K35.4Very low34.9Very low176 Ų176153.8 Ų153.877%0.76579%0.792SS**  trans50.5125.9144.6-74.7-175171-176.40122.8
526K36.2Very low35Very low152 Ų152156.5 Ų156.566%0.66179%0.792SS**  trans67.8154.6135.1-66.8177.6159.6-830118.2
527E37.4Very low35.2Very low159 Ų159152 Ų15274%0.74379%0.788SS**  cis-164.5161.5-16.3-112.2158.2-179.600110.3
528G35Very low35.4Very low65 Ų65149.5 Ų149.567%0.6779%0.785SS**  trans102.3130.2175.100000113.9
529R37Very low35.8Very low245 Ų245145.3 Ų145.393%0.92577%0.772SS**  71.3132.261.5-75.5-173.1171.6175.2-2.4112.6
530T35.8Very low36Very low138 Ų138146.2 Ų146.285%0.84776%0.762SS**  cis-149.9161.813.1-22.60000112.7
531A36.4Very low36.2Very low90 Ų90145.4 Ų145.474%0.74476%0.759SS**  trans-94165.5-178.500000114.7
532V36.2Very low36.2Very low152 Ų152145.9 Ų145.992%0.92175%0.752SS**  trans-137.6152.9154.4-1790000108.4
533S35.9Very low36.1Very low96 Ų96140 Ų14067%0.67174%0.742SS**  trans-154.6153.6-170.3174.30000112.9
534K36.4Very low36Very low194 Ų194138.6 Ų138.684%0.84374%0.739SS**  trans-175.4129.7140.4-94.1147-173.4-178.50109.9
535T35.4Very low35.9Very low114 Ų114137 Ų13770%0.69974%0.74SS**  69.4129.666.7-34.30000111.1
536I35.4Very low35.7Very low151 Ų151136 Ų13677%0.77474%0.741SS**  -157.7129.757.2-66160.2000107.1
537A35.6Very low35.7Very low82 Ų82134.9 Ų134.968%0.67875%0.749SS**  66.1149.474.400000115.1
538T36.9Very low35.5Very low124 Ų124131.9 Ų131.976%0.76175%0.751SS**  cis-128.8-144.613.4420000110
539D36.4Very low35.4Very low106 Ų106138 Ų13857%0.56776%0.763SS**  cis-164.6177.24.3-143.4-21.2000113.7
540K37.8Very low35.3Very low149 Ų149131.1 Ų131.165%0.64875%0.752SS**  trans21.7136152.1-78.3146.6-154.6148.10122.6
541Q36.9Very low35.3Very low168 Ų168132.4 Ų132.479%0.78575%0.754SS**  cis122.8152.526-99.6-174.5-5.200108.9
542N36.1Very low35.2Very low121 Ų121132.1 Ų132.165%0.64776%0.76SS**  cis-170.2150.7-15.6-150.322.3000111.1
543T34.7Very low35Very low107 Ų107128.7 Ų128.766%0.65676%0.755SS**  trans55.8162.9147.951.10000121.4
544L32.3Very low34.9Very low139 Ų139129 Ų12973%0.72876%0.757SS**  cis-167.1156.7-21.8-112.8167.5000109.6
545N35.1Very low34.7Very low149 Ų149129.1 Ų129.180%0.79776%0.758SS**  trans147.9150.4133.5-78-26.7000116.3
546I31Very low34.5Very low155 Ų155135.8 Ų135.880%0.79577%0.77SS**  trans-141.5165173-25176.5000106.8
547P36Very low34.2Very low129 Ų129140.4 Ų140.484%0.83878%0.778SS**  -150.8-167.592.739.2-19.6000114
548A32Very low34.2Very low95 Ų95146.4 Ų146.479%0.78579%0.788SS**  trans-146151.6-179.100000113.5
549E34.7Very low33.8Very low195 Ų195152.6 Ų152.691%0.91180%0.798SS**  trans-148.5177.5174.1-66.3-168.8149.200110.9
550S34.8Very low33.7Very low99 Ų99157.4 Ų157.469%0.69281%0.814SS**  -149.3155.4-90.368.50000112.7
551N34.6Very low33.5Very low166 Ų166160.1 Ų160.189%0.88883%0.826SS**  trans47127.1155-64.9-30.5000123.1
552G34.5Very low33Very low84 Ų84159.3 Ų159.387%0.86683%0.826SS**  trans144.4136.4141.800000118.1
553G32.3Very low32.5Very low80 Ų80161.8 Ų161.883%0.82583%0.833SS**  trans113.661.514700000122.3
554S34.2Very low32.4Very low103 Ų103165.4 Ų165.472%0.7284%0.843SS**  trans47.4113.1139.9-154.90000123.5
555K31.9Very low32.4Very low195 Ų195167 Ų16785%0.84885%0.847SS**  trans46.5106.4133.5-57.9175.2-177.7173.90121.2
556R31.9Very low32.5Very low254 Ų254164.6 Ų164.696%0.95884%0.839SS**  -162.3140.7118.1-122.1172.8174.3167.9-1.8113.8
557R28.9Very low33Very low249 Ų249163.5 Ų163.594%0.9484%0.835SS**  trans-72.7125.3174.9-76.1175166.8170.6-6111.5
558K34.6Very low33.4Very low207 Ų207162.1 Ų162.190%0.982%0.82SS**  trans-143.1142.8147-82.8-166175.6-179.70109.8
559R29.3Very low33.9Very low255 Ų255160 Ų16096%0.96280%0.803SS**PPolyproline II helixtrans-63130.5173.6-69.8169.9166.2162.3-8.3109.3
560K33.9Very low34.3Very low206 Ų206155.9 Ų155.990%0.89679%0.788SS**PPolyproline II helixtrans-94.1140.2157.9-93.7-167.7171.6-171.70109.1
561K33Very low34.9Very low207 Ų207152.9 Ų152.990%0.976%0.763SS**PPolyproline II helixtrans-68155.8165.8-76.1-175.8172.2-174.20109.7
562L26.8Very low35.7Very low150 Ų150151.2 Ų151.279%0.78575%0.75SS**PPolyproline II helixtrans-99.2168.7163.6-139.677.9000109.1
563Q26.6Very low36.8Very low173 Ų173153.4 Ų153.481%0.80874%0.736SS**  trans81.2154.6163.1-59.5159-14.600119.5
564Q32.3Very low37.8Very low184 Ų184151.5 Ų151.586%0.8671%0.713SS**  trans71.577.5167.2-64.8179.5-31.700119.5
565E33Very low39Very low172 Ų172150.6 Ų150.680%0.80470%0.697SS**  trans-141.8-23.7157.8-73.9-166144.900116.8N567E565-N567 PolarHBondContact O-N 3.23Å
566P35.3Very low40.4Very low99 Ų99144.3 Ų144.364%0.64368%0.681SS**Hα-helixtrans-66.5-29.4-174.6-27.236000117.3
567N42.8Very low42Very low132 Ų132138.5 Ų138.571%0.70666%0.663SS**Hα-helixtrans-79.3-37.3-163.9-70.98.2000113.6E565 A569 N570 L571E565-N567 PolarHBondContact O-N 3.23Å; N567-A569 VanDerWaalsContact C-N 3.32Å; N567-A569 PolarHBondContact O-N 3.48Å; N567-N570 PolarHBondContact O-N 3.34Å; N567-L571 PolarHBondContact O-N 3.43Å; N567-L571 VanDerWaalsContact O-N 3.13Å
568D43.6Very low43.6Very low99 Ų99129 Ų12953%0.52963%0.631SS.*Hα-helixtrans-64.3-34.9-175.5-72.9-50.7000112.9N570 L571 Q572D568-N570 VanDerWaalsContact C-N 3.3Å; D568-N570 PolarHBondContact O-N 3.27Å; D568-L571 PolarHBondContact O-N 2.7Å; D568-Q572 WeakPolarHBondContact O-CB 3.49Å; D568-Q572 WeakPolarHBondContact O-CG 3.41Å; D568-Q572 PolarHBondContact O-N 2.91Å
569A42.2Very low45.1Very low52 Ų52125.4 Ų125.443%0.4362%0.615SS.*Hα-helixtrans-67-28.918000000113.3N567 K573N567-A569 VanDerWaalsContact C-N 3.32Å; N567-A569 PolarHBondContact O-N 3.48Å; A569-K573 WeakPolarHBondContact O-CD 3.37Å; A569-K573 VanDerWaalsContact O-CG 3.29Å; A569-K573 WeakPolarHBondContact O-CG 3.28Å
570N44.6Very low46.8Very low108 Ų108115.7 Ų115.758%0.57859%0.589SS**Hα-helixtrans-80.6-36.4172.6-74.2-24.3000111.2N567 D568 K573 A574N567-N570 PolarHBondContact O-N 3.34Å; D568-N570 VanDerWaalsContact C-N 3.3Å; D568-N570 PolarHBondContact O-N 3.27Å; N570-K573 WeakPolarHBondContact O-CB 3.38Å; N570-K573 PolarHBondContact O-N 2.66Å; N570-A574 PolarHBondContact O-N 2.83Å
571L46.2Very low48.4Very low35 Ų35107 Ų10718%0.18355%0.551CS.*Hα-helixtrans-67.7-44.3-179.7-164.357.7000112N567 D568 K573 A574 E575N567-L571 PolarHBondContact O-N 3.43Å; N567-L571 VanDerWaalsContact O-N 3.13Å; D568-L571 PolarHBondContact O-N 2.7Å; L571-K573 VanDerWaalsContact C-N 3.28Å; L571-K573 PolarHBondContact O-N 3.07Å; L571-A574 WeakPolarHBondContact O-CB 3.41Å; L571-A574 PolarHBondContact O-N 2.97Å; L571-E575 PolarHBondContact O-N 2.62Å
572Q52.3Low49.9Very low131 Ų131100.7 Ų100.761%0.61253%0.525SS*.Hα-helixtrans-60-36.4172.8-70.8176.314.800112.4D568 E575 A576D568-Q572 WeakPolarHBondContact O-CB 3.49Å; D568-Q572 WeakPolarHBondContact O-CG 3.41Å; D568-Q572 PolarHBondContact O-N 2.91Å; Q572-E575 PolarHBondContact O-N 3.24Å; Q572-A576 WeakPolarHBondContact O-CB 3.33Å; Q572-A576 PolarHBondContact O-N 3.28Å
573K56.8Low51.9Low130 Ų13099.7 Ų99.757%0.56552%0.516SS*.Hα-helixtrans-68.1-34.2174.1-72.2170.8-172.9169.70112.3A569 N570 L571 K577A569-K573 WeakPolarHBondContact O-CD 3.37Å; A569-K573 VanDerWaalsContact O-CG 3.29Å; A569-K573 WeakPolarHBondContact O-CG 3.28Å; N570-K573 WeakPolarHBondContact O-CB 3.38Å; N570-K573 PolarHBondContact O-N 2.66Å; L571-K573 VanDerWaalsContact C-N 3.28Å; L571-K573 PolarHBondContact O-N 3.07Å; K573-K577 VanDerWaalsContact O-CG 3.28Å; K573-K577 WeakPolarHBondContact O-CG 3.24Å; K573-K577 PolarHBondContact O-N 3.34Å; K573-K577 VanDerWaalsContact O-N 3.16Å
574A52.8Low53.9Low41 Ų4194.6 Ų94.634%0.33950%0.497SS..Hα-helixtrans-68.2-42.5173.600000111.2N570 L571 K577 N578N570-A574 PolarHBondContact O-N 2.83Å; L571-A574 WeakPolarHBondContact O-CB 3.41Å; L571-A574 PolarHBondContact O-N 2.97Å; A574-K577 WeakPolarHBondContact O-CB 3.32Å; A574-K577 PolarHBondContact O-N 2.94Å; A574-N578 PolarHBondContact O-N 3.25Å; A574-N578 PolarHBondContact O-OD1 2.84Å
575E59.3Low55.4Low84 Ų8486.3 Ų86.339%0.39346%0.458SS..Hα-helixtrans-67-40.9177.2-68.6-177.7128.200113R99 L571 Q572 K577 N578 K579R99-E575 IonicContact CZ-OE1 2.89Å; R99-E575 IonicContact CZ-OE2 3.95Å; R99-E575 IonicContact NH1-OE1 3.38Å; R99-E575 PolarHBondContact NH1-OE1 3.36Å; R99-E575 IonicContact NH1-OE2 2.79Å; R99-E575 PolarHBondContact NH1-OE2 3.25Å; R99-E575 IonicContact NH2-OE1 3.73Å; R99-E575 PolarHBondContact NH2-OE1 3.13Å; R99-E575 IonicContact NH2-OE2 3.76Å; L571-E575 PolarHBondContact O-N 2.62Å; Q572-E575 PolarHBondContact O-N 3.24Å; E575-K577 VanDerWaalsContact C-N 3.28Å; E575-K577 PolarHBondContact O-N 3.35Å; E575-N578 PolarHBondContact O-N 2.97Å; E575-K579 WeakPolarHBondContact O-CB 3.45Å; E575-K579 PolarHBondContact O-N 2.9Å
576A63.1Low57.1Low63 Ų6383.8 Ų83.852%0.52145%0.45SS..Hα-helixtrans-61.2-36.9173.200000112.1Q572 A580Q572-A576 WeakPolarHBondContact O-CB 3.33Å; Q572-A576 PolarHBondContact O-N 3.28Å; A576-A580 WeakPolarHBondContact O-CB 3.44Å; A576-A580 PolarHBondContact O-N 2.7Å; A576-A580 VanDerWaalsContact O-N 3.09Å
577K65.3Low58.7Low132 Ų13281.1 Ų81.157%0.57444%0.437SS*.Hα-helixtrans-67-47.5172.6-75.9171.7178.7-1790112K573 A574 E575 K579 A580 R581K573-K577 VanDerWaalsContact O-CG 3.28Å; K573-K577 WeakPolarHBondContact O-CG 3.24Å; K573-K577 PolarHBondContact O-N 3.34Å; K573-K577 VanDerWaalsContact O-N 3.16Å; A574-K577 WeakPolarHBondContact O-CB 3.32Å; A574-K577 PolarHBondContact O-N 2.94Å; E575-K577 VanDerWaalsContact C-N 3.28Å; E575-K577 PolarHBondContact O-N 3.35Å; K577-K579 VanDerWaalsContact C-N 3.35Å; K577-K579 PolarHBondContact O-N 2.85Å; K577-A580 WeakPolarHBondContact O-CB 2.99Å; K577-A580 PolarHBondContact O-N 2.76Å; K577-A580 VanDerWaalsContact O-N 3.14Å; K577-R581 WeakPolarHBondContact O-CG 3.41Å; K577-R581 PolarHBondContact O-N 3.14Å
578N61.4Low59.6Low49 Ų4975.4 Ų75.426%0.26241%0.406SS..Hα-helixtrans-59.6-46.3178.8-71.51.4000111A574 E575 A580 R581 E582A574-N578 PolarHBondContact O-N 3.25Å; A574-N578 PolarHBondContact O-OD1 2.84Å; E575-N578 PolarHBondContact O-N 2.97Å; N578-A580 VanDerWaalsContact C-N 3.28Å; N578-A580 PolarHBondContact O-N 3.33Å; N578-R581 CarbonylContact O-C 3.55Å; N578-R581 WeakPolarHBondContact O-CA 3.5Å; N578-R581 WeakPolarHBondContact O-CB 3.41Å; N578-R581 PolarHBondContact O-N 3.26Å; N578-E582 WeakPolarHBondContact O-CG 3.41Å; N578-E582 PolarHBondContact O-N 3.1Å
579K66.7Low60.4Low132 Ų13272.3 Ų72.357%0.57439%0.391SS*.Hα-helixtrans-62.9-30.9176-167.2169.2-175173.30113.8E575 K577 Q583E575-K579 WeakPolarHBondContact O-CB 3.45Å; E575-K579 PolarHBondContact O-N 2.9Å; K577-K579 VanDerWaalsContact C-N 3.35Å; K577-K579 PolarHBondContact O-N 2.85Å; K579-Q583 WeakPolarHBondContact O-CG 3.47Å; K579-Q583 PolarHBondContact O-N 3.33Å
580A65.2Low61.2Low50 Ų5071.2 Ų71.241%0.41338%0.384SS..Hα-helixtrans-72.8-36.6170.900000112.3A576 K577 N578 Q583 V584A576-A580 WeakPolarHBondContact O-CB 3.44Å; A576-A580 PolarHBondContact O-N 2.7Å; A576-A580 VanDerWaalsContact O-N 3.09Å; K577-A580 WeakPolarHBondContact O-CB 2.99Å; K577-A580 PolarHBondContact O-N 2.76Å; K577-A580 VanDerWaalsContact O-N 3.14Å; N578-A580 VanDerWaalsContact C-N 3.28Å; N578-A580 PolarHBondContact O-N 3.33Å; A580-Q583 PolarHBondContact O-N 3.03Å; A580-V584 WeakPolarHBondContact O-CG2 3.39Å; A580-V584 PolarHBondContact O-N 3.38Å
581R67.1Low62Low24 Ų2472.2 Ų72.29%0.09138%0.384CS..Hα-helixtrans-65.8-45.4173.3-68.9179.2-172.5168.14.3111.7M170 D223 Y225 I226 K577 N578 Q583 V584 V585M170-R581 PolarHBondContact SD-NH1 3.36Å; M170-R581 VanDerWaalsContact SD-NH1 3.43Å; D223-R581 WeakPolarHBondContact O-CD 3.07Å; D223-R581 PolarHBondContact O-NE 3.11Å; D223-R581 IonicContact OD1-CZ 3.9Å; D223-R581 IonicContact OD1-NH2 3.72Å; D223-R581 PolarHBondContact OD1-NH2 3.47Å; D223-R581 IonicContact OD2-CZ 3.08Å; D223-R581 IonicContact OD2-NE 2.78Å; D223-R581 PolarHBondContact OD2-NE 2.85Å; D223-R581 VanDerWaalsContact OD2-NE 3.15Å; D223-R581 IonicContact OD2-NH2 2.7Å; D223-R581 PolarHBondContact OD2-NH2 3.3Å; Y225-R581 PolarHBondContact O-NH1 2.84Å; I226-R581 HydrophobicContact CG2-CB 3.66Å; K577-R581 WeakPolarHBondContact O-CG 3.41Å; K577-R581 PolarHBondContact O-N 3.14Å; N578-R581 CarbonylContact O-C 3.55Å; N578-R581 WeakPolarHBondContact O-CA 3.5Å; N578-R581 WeakPolarHBondContact O-CB 3.41Å; N578-R581 PolarHBondContact O-N 3.26Å; R581-Q583 VanDerWaalsContact C-N 3.29Å; R581-Q583 PolarHBondContact O-N 3.1Å; R581-V584 PolarHBondContact O-N 3.34Å; R581-V585 WeakPolarHBondContact O-CG2 3.25Å; R581-V585 PolarHBondContact O-N 3.28Å
582E65.3Low62.1Low75 Ų7571.4 Ų71.435%0.3538%0.382SS..Hα-helixtrans-47.6-52.1172.9-71.9157-143.800110.7I226 N578 V584 V585 D586I226-E582 HydrophobicContact CD1-CG 4.13Å; N578-E582 WeakPolarHBondContact O-CG 3.41Å; N578-E582 PolarHBondContact O-N 3.1Å; E582-V584 PolarHBondContact O-N 3.14Å; E582-V585 PolarHBondContact O-N 3.29Å; E582-D586 WeakPolarHBondContact O-CB 3.45Å; E582-D586 PolarHBondContact O-N 3.4Å
583Q67.2Low62.1Low129 Ų12972 Ų7260%0.60338%0.383SS*.Hα-helixtrans-62.1-37.1178.1-69.7176.20.800113.7K579 A580 R581 A587K579-Q583 WeakPolarHBondContact O-CG 3.47Å; K579-Q583 PolarHBondContact O-N 3.33Å; A580-Q583 PolarHBondContact O-N 3.03Å; R581-Q583 VanDerWaalsContact C-N 3.29Å; R581-Q583 PolarHBondContact O-N 3.1Å; Q583-A587 VanDerWaalsContact O-CB 3.23Å; Q583-A587 WeakPolarHBondContact O-CB 3.41Å; Q583-A587 PolarHBondContact O-N 3.46Å
584V70Confident62Low66 Ų6676.1 Ų76.140%0.439%0.394SS..Hα-helixtrans-71.3-40.1176.7170.90000111.5F224 A580 R581 E582 A587 N588F224-V584 HydrophobicContact CE2-CG1 4.48Å; A580-V584 WeakPolarHBondContact O-CG2 3.39Å; A580-V584 PolarHBondContact O-N 3.38Å; R581-V584 PolarHBondContact O-N 3.34Å; E582-V584 PolarHBondContact O-N 3.14Å; V584-A587 PolarHBondContact O-N 3.11Å; V584-N588 WeakPolarHBondContact O-CB 3.25Å; V584-N588 PolarHBondContact O-N 3.03Å
585V62.5Low62.1Low9 Ų984.4 Ų84.46%0.05542%0.417CS..Hα-helixtrans-64.4-49.5176.1172.30000110F224 I226 L229 R581 E582 A587 N588 V589F224-V585 HydrophobicContact CD1-CG2 4.48Å; F224-V585 HydrophobicContact CE1-CG2 3.94Å; F224-V585 HydrophobicContact CE2-CG2 4.43Å; F224-V585 HydrophobicContact CZ-CG2 3.92Å; I226-V585 HydrophobicContact CD1-CB 3.98Å; I226-V585 HydrophobicContact CD1-CG1 4.12Å; I226-V585 HydrophobicContact CD1-CG2 3.87Å; I226-V585 HydrophobicContact CG1-CG2 4.39Å; L229-V585 HydrophobicContact CD1-CG1 4.15Å; L229-V585 HydrophobicContact CD1-CG2 3.91Å; L229-V585 HydrophobicContact CD2-CG1 3.88Å; L229-V585 HydrophobicContact CG-CG1 4.19Å; R581-V585 WeakPolarHBondContact O-CG2 3.25Å; R581-V585 PolarHBondContact O-N 3.28Å; E582-V585 PolarHBondContact O-N 3.29Å; V585-A587 VanDerWaalsContact C-N 3.34Å; V585-A587 PolarHBondContact O-N 3.11Å; V585-N588 PolarHBondContact O-N 2.86Å; V585-N588 VanDerWaalsContact O-N 3.12Å; V585-V589 HydrophobicContact CG1-CG2 4.27Å; V585-V589 WeakPolarHBondContact O-CB 3.47Å; V585-V589 WeakPolarHBondContact O-CG2 3.48Å; V585-V589 PolarHBondContact O-N 3.46Å
586D68.8Low61.4Low119 Ų11988.4 Ų88.464%0.63643%0.429SS*.Hα-helixtrans-60.3-40.9175.8-91-22000112.4E582 N588 G590E582-D586 WeakPolarHBondContact O-CB 3.45Å; E582-D586 PolarHBondContact O-N 3.4Å; D586-N588 VanDerWaalsContact C-N 3.33Å; D586-N588 PolarHBondContact O-N 3.19Å; D586-G590 WeakPolarHBondContact O-CA 3.23Å; D586-G590 PolarHBondContact O-N 2.93Å
587A68.6Low60.6Low44 Ų4496.9 Ų96.936%0.36445%0.454SS..Hα-helixtrans-63.1-38.4175.100000112.3Q583 V584 V585 K591Q583-A587 VanDerWaalsContact O-CB 3.23Å; Q583-A587 WeakPolarHBondContact O-CB 3.41Å; Q583-A587 PolarHBondContact O-N 3.46Å; V584-A587 PolarHBondContact O-N 3.11Å; V585-A587 VanDerWaalsContact C-N 3.34Å; V585-A587 PolarHBondContact O-N 3.11Å; A587-K591 WeakPolarHBondContact O-CB 3.37Å; A587-K591 WeakPolarHBondContact O-CD 3.26Å; A587-K591 WeakPolarHBondContact O-CG 3.4Å; A587-K591 PolarHBondContact O-N 3.14Å
588N62.3Low60.3Low11 Ų1195.1 Ų95.16%0.05945%0.448CS..Hα-helixtrans-75.8-41.1178.7-74.8-8.1000112.4V584 V585 D586 G590 K591 A592V584-N588 WeakPolarHBondContact O-CB 3.25Å; V584-N588 PolarHBondContact O-N 3.03Å; V585-N588 PolarHBondContact O-N 2.86Å; V585-N588 VanDerWaalsContact O-N 3.12Å; D586-N588 VanDerWaalsContact C-N 3.33Å; D586-N588 PolarHBondContact O-N 3.19Å; N588-G590 VanDerWaalsContact C-N 3.33Å; N588-K591 PolarHBondContact O-N 3.01Å; N588-A592 WeakPolarHBondContact O-CB 3.33Å; N588-A592 PolarHBondContact O-N 2.97Å
589V61.2Low60.3Low35 Ų3597.5 Ų97.521%0.21246%0.457CS..Hα-helixtrans-63.3-39.8172.1171.30000110.7F263 V585 A592 K593F263-V589 HydrophobicContact CD1-CG2 4.23Å; F263-V589 HydrophobicContact CD2-CG2 4.37Å; F263-V589 HydrophobicContact CG-CG2 4.13Å; V585-V589 HydrophobicContact CG1-CG2 4.27Å; V585-V589 WeakPolarHBondContact O-CB 3.47Å; V585-V589 WeakPolarHBondContact O-CG2 3.48Å; V585-V589 PolarHBondContact O-N 3.46Å; V589-A592 PolarHBondContact O-N 2.95Å; V589-K593 HydrophobicContact CG1-CD 4.37Å; V589-K593 WeakPolarHBondContact O-CG 3.23Å; V589-K593 PolarHBondContact O-N 2.75Å
590G59.5Low59.9Low28 Ų2895.6 Ų95.629%0.28945%0.451SS..Hα-helixtrans-62.8-45173.500000112.8D586 N588 K593 R594D586-G590 WeakPolarHBondContact O-CA 3.23Å; D586-G590 PolarHBondContact O-N 2.93Å; N588-G590 VanDerWaalsContact C-N 3.33Å; G590-K593 PolarHBondContact O-N 3.45Å; G590-R594 WeakPolarHBondContact O-CG 3.29Å; G590-R594 PolarHBondContact O-N 3.01Å
591K59.8Low59.6Low129 Ų12998.3 Ų98.356%0.56145%0.453SS*.Hα-helixtrans-62-41.6172.7-74.2164.5-171.9169.20112.1A587 N588 R594 R595A587-K591 WeakPolarHBondContact O-CB 3.37Å; A587-K591 WeakPolarHBondContact O-CD 3.26Å; A587-K591 WeakPolarHBondContact O-CG 3.4Å; A587-K591 PolarHBondContact O-N 3.14Å; N588-K591 PolarHBondContact O-N 3.01Å; K591-R594 CarbonylContact O-C 3.49Å; K591-R594 PolarHBondContact O-N 2.93Å; K591-R595 PolarHBondContact O-N 2.71Å
592A49.6Very low59.2Low18 Ų18102.9 Ų102.915%0.14948%0.476CS..Hα-helixtrans-63.6-41.8176.700000111.9F263 N588 V589 R594 R595 R596F263-A592 HydrophobicContact CB-CB 3.97Å; N588-A592 WeakPolarHBondContact O-CB 3.33Å; N588-A592 PolarHBondContact O-N 2.97Å; V589-A592 PolarHBondContact O-N 2.95Å; A592-R594 VanDerWaalsContact C-N 3.33Å; A592-R594 PolarHBondContact O-N 2.83Å; A592-R595 PolarHBondContact O-N 3.05Å; A592-R596 WeakPolarHBondContact O-CG 3.27Å; A592-R596 PolarHBondContact O-N 2.74Å
593K52.6Low58.7Low145 Ų145104.8 Ų104.863%0.6348%0.484SS*.Hα-helixtrans-62-36.8172-73.4173.1-179.8174.70112.5V589 G590 R596 K597V589-K593 HydrophobicContact CG1-CD 4.37Å; V589-K593 WeakPolarHBondContact O-CG 3.23Å; V589-K593 PolarHBondContact O-N 2.75Å; G590-K593 PolarHBondContact O-N 3.45Å; K593-R596 PolarHBondContact O-N 2.77Å; K593-K597 PolarHBondContact O-N 3.09Å
594R54.9Low58.1Low215 Ų215103.1 Ų103.181%0.81148%0.476SS*.Hα-helixtrans-76.3-12.2176-72.9-174.7-175.5-168.32.7115.2G590 K591 A592G590-R594 WeakPolarHBondContact O-CG 3.29Å; G590-R594 PolarHBondContact O-N 3.01Å; K591-R594 CarbonylContact O-C 3.49Å; K591-R594 PolarHBondContact O-N 2.93Å; A592-R594 VanDerWaalsContact C-N 3.33Å; A592-R594 PolarHBondContact O-N 2.83Å
595R53.1Low57.2Low216 Ų216105.9 Ų105.982%0.81548%0.481SS*.THydrogen-bonded Turntrans-98.1-1.8172.1-81.2-174.6166.9-170.8-4.4113.5K591 A592K591-R595 PolarHBondContact O-N 2.71Å; A592-R595 PolarHBondContact O-N 3.05Å
596R45.3Very low56.8Low168 Ų168114 Ų11463%0.63452%0.517SS*.  trans-114.3-1.3179.2-74.6176.6165.8-114.2-7.1112.9A592 K593A592-R596 WeakPolarHBondContact O-CG 3.27Å; A592-R596 PolarHBondContact O-N 2.74Å; K593-R596 PolarHBondContact O-N 2.77Å
597K46Very low55.7Low240 Ų240113.5 Ų113.5100%1.04351%0.506SS*.  trans-107.30161.4-72-167.5172.6-163.40107.4K593K593-K597 PolarHBondContact O-N 3.09Å

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