A0A087YQ68_POEFO Loading...

E3 ubiquitin-protein ligase RNF182

AlphaFold DB , UniProt , Accession A0A087YQ68, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 253 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

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
1S37.1Very low41.1Very low179 Ų179115.6 Ų115.6100%1.25279%0.786SS**  091.8028.40000108.1
2G36.2Very low42.1Very low80 Ų80113.1 Ų113.183%0.82577%0.77SS**  trans-128104.2177.600000108.4
3T39.4Very low43.5Very low146 Ų146110 Ų11090%0.89674%0.741SS**  trans-116.998.3174.5-33.60000106.3
4G34.6Very low45.5Very low60 Ų60108.9 Ų108.962%0.61972%0.72SS**  trans-84.2150.516900000110.4H6G4-H6 PolarHBondContact O-N 2.88Å
5P43.5Very low47.7Very low132 Ų132103.2 Ų103.286%0.85768%0.679SS**  trans-76.1116.417630.2-29000109.3A7P5-A7 PolarHBondContact O-N 3.42Å; P5-A7 VanDerWaalsContact O-N 3.09Å
6H37.1Very low50.2Low187 Ų18799.6 Ų99.687%0.86665%0.65SS**  trans-69.2100.2167.4-122.3-88.4000107.3G4G4-H6 PolarHBondContact O-N 2.88Å
7A44.8Very low52.5Low92 Ų9293.7 Ų93.776%0.7661%0.612SS**  trans-70.613017400000109.7P5 G9P5-A7 PolarHBondContact O-N 3.42Å; P5-A7 VanDerWaalsContact O-N 3.09Å; A7-G9 PolarHBondContact O-N 3.23Å; A7-G9 VanDerWaalsContact O-N 3.15Å
8D42.4Very low54.5Low155 Ų15592.2 Ų92.283%0.82959%0.594SS**  trans-60.3104.5-173.5-58.3-71.2000113.2H10D8-H10 VanDerWaalsContact C-N 3.29Å
9G43.3Very low56.3Low64 Ų6490.9 Ų90.966%0.6658%0.581SS**  trans-85.44.4165.100000113.9A7A7-G9 PolarHBondContact O-N 3.23Å; A7-G9 VanDerWaalsContact O-N 3.15Å
10H46.2Very low57.8Low130 Ų13088.8 Ų88.860%0.60257%0.568SS**  trans-91.8-8-167-156.529.1000114.7D8D8-H10 VanDerWaalsContact C-N 3.29Å
11G47.6Very low59.2Low47 Ų4792.4 Ų92.449%0.48557%0.572SS.*THydrogen-bonded Turntrans-77.7-27.9-174.800000115.4
12S53.1Low61.5Low85 Ų8586.1 Ų86.159%0.59453%0.528SS*.THydrogen-bonded Turntrans-84.4-34.9-178.754.40000112.6E14 M15S12-E14 VanDerWaalsContact C-N 3.25Å; S12-E14 PolarHBondContact O-N 3.42Å; S12-M15 PolarHBondContact O-N 3.04Å
13D60.3Low63.8Low73 Ų7385.6 Ų85.639%0.3952%0.516SS..G310 helixtrans-63.2-31-175.6-160.764.7000112.3E16 K18D13-E16 WeakPolarHBondContact O-CG 3.09Å; D13-K18 WeakPolarHBondContact O-CE 3.44Å; D13-K18 PolarHBondContact O-NZ 3.49Å; D13-K18 IonicContact OD1-NZ 2.59Å; D13-K18 PolarHBondContact OD1-NZ 3.46Å; D13-K18 WeakPolarHBondContact OD2-CE 3.5Å; D13-K18 IonicContact OD2-NZ 2.97Å; D13-K18 PolarHBondContact OD2-NZ 2.76Å
14E70.9Confident66Low95 Ų9579.2 Ų79.244%0.44448%0.476SS..G310 helixtrans-74.3-24175.8-65.8-169.8157.900114S12 L84 R87S12-E14 VanDerWaalsContact C-N 3.25Å; S12-E14 PolarHBondContact O-N 3.42Å; E14-L84 WeakPolarHBondContact O-CD1 3.3Å; E14-R87 IonicContact OE2-CZ 3.82Å; E14-R87 IonicContact OE2-NH1 3.08Å; E14-R87 PolarHBondContact OE2-NH1 3.47Å; E14-R87 IonicContact OE2-NH2 3.59Å
15M78.6Confident68.2Low23 Ų2378.9 Ų78.911%0.11346%0.46CS..G310 helixtrans-96.314.5-173.1-75.1-165.4169.300113.4S12 A23 Y24 R87 Q91S12-M15 PolarHBondContact O-N 3.04Å; M15-A23 WeakPolarHBondContact O-CA 3.12Å; M15-Y24 VanDerWaalsContact O-CD2 3.22Å; M15-Y24 WeakPolarHBondContact O-CD2 3.38Å; M15-Y24 PolarHBondContact O-N 2.96Å; M15-R87 HydrophobicContact CE-CB 3.82Å; M15-R87 VanDerWaalsContact CE-CZ 3.49Å; M15-Q91 PolarHBondContact SD-NE2 2.94Å; M15-Q91 PolarHBondContact SD-OE1 3.4Å
16E88.4Confident70Confident45 Ų4576.1 Ų76.121%0.2144%0.437CS..BIsolated β-bridgetrans-128.8152.9179.656.2167.9-137.700112.5D13 K18 S22 Y24D13-E16 WeakPolarHBondContact O-CG 3.09Å; E16-K18 IonicContact OE1-NZ 2.78Å; E16-K18 PolarHBondContact OE1-NZ 2.93Å; E16-S22 WeakPolarHBondContact CA-O 3.44Å; E16-Y24 VanDerWaalsContact O-CE2 3.25Å; E16-Y24 WeakPolarHBondContact O-CE2 2.99Å
17C88.4Confident71.9Confident0 Ų075.6 Ų75.60%044%0.435CS..  trans-78.1123.2176.1-178.60000110.9I19 C20 Y21 S22 Y24 C41C17-I19 PolarHBondContact O-N 3.41Å; C17-C20 VanDerWaalsContact CB-SG 3.59Å; C17-C20 PolarHBondContact O-N 2.74Å; C17-Y21 WeakPolarHBondContact O-CA 3.48Å; C17-Y21 PolarHBondContact O-N 3.29Å; C17-S22 PolarHBondContact N-O 3.07Å; C17-Y24 HydrophobicContact CB-CD1 4.44Å; C17-Y24 HydrophobicContact CB-CE1 3.74Å; C17-C41 HydrophobicContact CB-CB 3.97Å; C17-C41 PolarHBondContact SG-N 3.44Å; C17-C41 VanDerWaalsContact SG-N 3.41Å; C17-C41 VanDerWaalsContact SG-SG 3.61Å
18K88.8Confident73.2Confident66 Ų6672.5 Ų72.529%0.28741%0.408SS..THydrogen-bonded Turntrans-70.28.7179.7-59.5-63.5167-155.90116.4D13 E16 F63D13-K18 WeakPolarHBondContact O-CE 3.44Å; D13-K18 PolarHBondContact O-NZ 3.49Å; D13-K18 IonicContact OD1-NZ 2.59Å; D13-K18 PolarHBondContact OD1-NZ 3.46Å; D13-K18 WeakPolarHBondContact OD2-CE 3.5Å; D13-K18 IonicContact OD2-NZ 2.97Å; D13-K18 PolarHBondContact OD2-NZ 2.76Å; E16-K18 IonicContact OE1-NZ 2.78Å; E16-K18 PolarHBondContact OE1-NZ 2.93Å; K18-F63 HydrophobicContact CB-CE1 4.26Å; K18-F63 HydrophobicContact CB-CZ 3.94Å
19I88.7Confident75Confident68 Ų6865.4 Ų65.435%0.34937%0.371SS..THydrogen-bonded Turntrans-111.6-49176.5-59.3-175.9000110.7C17 L40 C44 I48 P62 F63C17-I19 PolarHBondContact O-N 3.41Å; I19-L40 HydrophobicContact CD1-CD2 3.27Å; I19-L40 HydrophobicContact CD1-CG 3.71Å; I19-C44 HydrophobicContact CB-CB 4.25Å; I19-C44 HydrophobicContact CD1-CB 4.32Å; I19-C44 HydrophobicContact CG2-CB 4.21Å; I19-I48 HydrophobicContact CD1-CD1 3.95Å; I19-P62 HydrophobicContact CD1-CG 3.67Å; I19-F63 HydrophobicContact CD1-CE2 4.43Å; I19-F63 HydrophobicContact CD1-CZ 4.33Å; I19-F63 HydrophobicContact CG1-CZ 3.98Å
20C86.1Confident77Confident48 Ų4866.7 Ų66.732%0.32436%0.356SS..THydrogen-bonded Turntrans-99.9-2.5178.866.90000113.7C17 S22 C41C17-C20 VanDerWaalsContact CB-SG 3.59Å; C17-C20 PolarHBondContact O-N 2.74Å; C20-S22 PolarHBondContact O-N 3.39Å; C20-S22 PolarHBondContact O-OG 3.22Å; C20-S22 VanDerWaalsContact O-OG 3.07Å; C20-S22 PolarHBondContact SG-OG 3.01Å; C20-C41 VanDerWaalsContact SG-SG 3.67Å
21Y87.9Confident78.9Confident165 Ų16560.5 Ų60.565%0.64733%0.327SS*.  trans49.429.5-176.9-59.2-84.3000113.3C17C17-Y21 WeakPolarHBondContact O-CA 3.48Å; C17-Y21 PolarHBondContact O-N 3.29Å
22S85.1Confident80.9Confident48 Ų4858.8 Ų58.834%0.33631%0.306SS..PPolyproline II helixtrans-101.6140.2178.7-41.90000109.5E16 C17 C20 Y24E16-S22 WeakPolarHBondContact CA-O 3.44Å; C17-S22 PolarHBondContact N-O 3.07Å; C20-S22 PolarHBondContact O-N 3.39Å; C20-S22 PolarHBondContact O-OG 3.22Å; C20-S22 VanDerWaalsContact O-OG 3.07Å; C20-S22 PolarHBondContact SG-OG 3.01Å; S22-Y24 PolarHBondContact O-N 3.24Å
23A84.6Confident82.5Confident69 Ų6956.1 Ų56.157%0.5729%0.286SS*.BIsolated β-bridgetrans-56.5137173.300000111M15 C29M15-A23 WeakPolarHBondContact O-CA 3.12Å; A23-C29 WeakPolarHBondContact O-CB 3.36Å
24Y84.8Confident83.8Confident12 Ų1252.9 Ų52.95%0.04727%0.269CS..PPolyproline II helixtrans-66.2142.4175.1-68-61.8000110.1M15 E16 C17 S22 C29 P31 R39 C41 L84 L88M15-Y24 VanDerWaalsContact O-CD2 3.22Å; M15-Y24 WeakPolarHBondContact O-CD2 3.38Å; M15-Y24 PolarHBondContact O-N 2.96Å; E16-Y24 VanDerWaalsContact O-CE2 3.25Å; E16-Y24 WeakPolarHBondContact O-CE2 2.99Å; C17-Y24 HydrophobicContact CB-CD1 4.44Å; C17-Y24 HydrophobicContact CB-CE1 3.74Å; S22-Y24 PolarHBondContact O-N 3.24Å; Y24-C29 VanDerWaalsContact CA-O 3.29Å; Y24-C29 WeakPolarHBondContact CA-O 3.35Å; Y24-C29 VanDerWaalsContact CD1-O 3.31Å; Y24-C29 WeakPolarHBondContact CD1-O 3.37Å; Y24-P31 HydrophobicContact CD1-CB 3.75Å; Y24-P31 HydrophobicContact CD1-CG 4.43Å; Y24-P31 HydrophobicContact CD2-CB 4.36Å; Y24-P31 HydrophobicContact CE1-CB 3.8Å; Y24-P31 HydrophobicContact CE2-CB 4.42Å; Y24-P31 HydrophobicContact CG-CB 4.04Å; Y24-P31 HydrophobicContact CG-CG 4.43Å; Y24-R39 PolarHBondContact OH-O 3.46Å; Y24-C41 HydrophobicContact CD1-CB 4.13Å; Y24-C41 HydrophobicContact CE1-CB 3.91Å; Y24-L84 HydrophobicContact CD2-CD1 4.25Å; Y24-L84 HydrophobicContact CD2-CD2 3.39Å; Y24-L84 HydrophobicContact CD2-CG 4.48Å; Y24-L84 HydrophobicContact CE2-CD1 4.41Å; Y24-L84 HydrophobicContact CE2-CD2 4.18Å; Y24-L84 HydrophobicContact CG-CD2 3.75Å; Y24-L88 WeakPolarHBondContact O-CD2 3.45Å
25N81.9Confident84.5Confident53 Ų5355.2 Ų55.228%0.28328%0.277SS..  trans-145.1163.4176.462.957.9000110E27 S28 C29 R30N25-E27 VanDerWaalsContact C-N 3.27Å; N25-E27 PolarHBondContact O-N 3.37Å; N25-E27 PolarHBondContact OD1-N 2.93Å; N25-S28 PolarHBondContact OD1-N 3.4Å; N25-C29 PolarHBondContact N-O 2.76Å; N25-C29 WeakPolarHBondContact ND2-CB 3.45Å; N25-C29 CarbonylContact O-C 3.19Å; N25-C29 VanDerWaalsContact O-O 3.14Å; N25-C29 PolarHBondContact OD1-N 3.07Å; N25-R30 WeakPolarHBondContact O-CA 3.34Å; N25-R30 PolarHBondContact O-N 2.93Å
26L80.8Confident84.8Confident73 Ų7355.7 Ų55.738%0.38228%0.283SS..SBendtrans-74.7-17.3-174.4-64.6174.7000113.7V85 L88 A89L26-V85 HydrophobicContact CD2-CB 4.32Å; L26-V85 HydrophobicContact CD2-CG1 3.67Å; L26-V85 HydrophobicContact CD2-CG2 4.4Å; L26-L88 HydrophobicContact CD2-CB 4.33Å; L26-L88 HydrophobicContact CG-CB 4.45Å; L26-A89 HydrophobicContact CD1-CB 4.32Å
27E76.9Confident84.7Confident176 Ų17663.5 Ų63.582%0.82231%0.31SS*.SBendtrans-95.2-59.3-170.3-63.6177.8172.100112N25N25-E27 VanDerWaalsContact C-N 3.27Å; N25-E27 PolarHBondContact O-N 3.37Å; N25-E27 PolarHBondContact OD1-N 2.93Å
28S71.8Confident84.7Confident27 Ų2766.7 Ų66.719%0.18933%0.325CS..SBendtrans-126.7-25.9-163800000113.5N25 S42 K43N25-S28 PolarHBondContact OD1-N 3.4Å; S28-S42 PolarHBondContact O-OG 3.44Å; S28-K43 WeakPolarHBondContact O-CD 3.45Å; S28-K43 VanDerWaalsContact O-CE 3.24Å; S28-K43 WeakPolarHBondContact O-CE 3.37Å; S28-K43 VanDerWaalsContact O-CG 3.27Å; S28-K43 WeakPolarHBondContact O-CG 3.14Å; S28-K43 WeakPolarHBondContact OG-CE 3.49Å; S28-K43 PolarHBondContact OG-NZ 2.89Å
29C81.1Confident84.7Confident7 Ų769.4 Ų69.45%0.04733%0.333CS..SBendtrans-111.451.5172.6-64.70000109.9A23 Y24 N25 C41A23-C29 WeakPolarHBondContact O-CB 3.36Å; Y24-C29 VanDerWaalsContact CA-O 3.29Å; Y24-C29 WeakPolarHBondContact CA-O 3.35Å; Y24-C29 VanDerWaalsContact CD1-O 3.31Å; Y24-C29 WeakPolarHBondContact CD1-O 3.37Å; N25-C29 PolarHBondContact N-O 2.76Å; N25-C29 WeakPolarHBondContact ND2-CB 3.45Å; N25-C29 CarbonylContact O-C 3.19Å; N25-C29 VanDerWaalsContact O-O 3.14Å; N25-C29 PolarHBondContact OD1-N 3.07Å; C29-C41 HydrophobicContact CB-CB 4.22Å
30R84.4Confident84.7Confident91 Ų9166.2 Ų66.234%0.34332%0.317SS..  trans-75.3129-177-160.9172.3-177.9-151.2-8.2110.4N25 K32 C41 S42 D80 V85N25-R30 WeakPolarHBondContact O-CA 3.34Å; N25-R30 PolarHBondContact O-N 2.93Å; R30-K32 PolarHBondContact O-N 3.32Å; R30-C41 CarbonylContact O-C 3.57Å; R30-C41 WeakPolarHBondContact O-CA 3.43Å; R30-S42 PolarHBondContact O-N 3.31Å; R30-D80 WeakPolarHBondContact CD-OD1 3.31Å; R30-D80 IonicContact CZ-OD1 3.56Å; R30-D80 IonicContact CZ-OD2 2.87Å; R30-D80 IonicContact NE-OD1 3.42Å; R30-D80 PolarHBondContact NE-OD1 3.24Å; R30-D80 IonicContact NE-OD2 3.52Å; R30-D80 IonicContact NH1-OD1 3.8Å; R30-D80 IonicContact NH1-OD2 2.98Å; R30-D80 PolarHBondContact NH1-OD2 3.34Å; R30-D80 IonicContact NH2-OD2 2.9Å; R30-D80 PolarHBondContact NH2-OD2 3.31Å; R30-V85 HydrophobicContact CG-CG2 4.47Å
31P87.2Confident84.8Confident0 Ų063.9 Ų63.90%030%0.301CS..EExtended strand (participates in β ladder)trans-72.9118.1-177.330.9-37.3000110.7Y24 D80 D81 L84 V85Y24-P31 HydrophobicContact CD1-CB 3.75Å; Y24-P31 HydrophobicContact CD1-CG 4.43Å; Y24-P31 HydrophobicContact CD2-CB 4.36Å; Y24-P31 HydrophobicContact CE1-CB 3.8Å; Y24-P31 HydrophobicContact CE2-CB 4.42Å; Y24-P31 HydrophobicContact CG-CB 4.04Å; Y24-P31 HydrophobicContact CG-CG 4.43Å; P31-D80 WeakPolarHBondContact O-CA 3.27Å; P31-D81 HydrophobicContact CB-CB 4.38Å; P31-D81 HydrophobicContact CG-CB 4.42Å; P31-D81 PolarHBondContact O-N 3Å; P31-L84 HydrophobicContact CB-CD2 3.96Å; P31-L84 HydrophobicContact CG-CB 4.22Å; P31-L84 HydrophobicContact CG-CD2 3.6Å; P31-V85 HydrophobicContact CG-CG2 4Å
32K88.5Confident84.8Confident10 Ų1057.2 Ų57.24%0.04328%0.279CS..EExtended strand (participates in β ladder)trans-107.3142.1176.4-69.2-66.7-171.5-172.10110R30 R39 L40 L45 R76 L78 D80R30-K32 PolarHBondContact O-N 3.32Å; K32-R39 WeakPolarHBondContact O-CA 3.34Å; K32-L40 PolarHBondContact N-O 3.13Å; K32-L40 PolarHBondContact O-N 2.95Å; K32-L45 HydrophobicContact CB-CD1 3.29Å; K32-L45 HydrophobicContact CG-CD1 3.86Å; K32-R76 PolarHBondContact NZ-O 2.8Å; K32-R76 VanDerWaalsContact NZ-O 3.13Å; K32-L78 HydrophobicContact CB-CB 4.4Å; K32-L78 HydrophobicContact CD-CB 4.06Å; K32-L78 VanDerWaalsContact CD-O 3.3Å; K32-L78 WeakPolarHBondContact CD-O 3.27Å; K32-L78 WeakPolarHBondContact CE-O 3.46Å; K32-L78 PolarHBondContact NZ-O 3.44Å; K32-D80 WeakPolarHBondContact CD-OD1 3.41Å; K32-D80 WeakPolarHBondContact CE-OD1 3.33Å; K32-D80 VanDerWaalsContact NZ-CG 3.28Å; K32-D80 IonicContact NZ-OD1 2.73Å; K32-D80 PolarHBondContact NZ-OD1 2.89Å; K32-D80 IonicContact NZ-OD2 3.31Å; K32-D80 PolarHBondContact NZ-OD2 3.29Å
33V88.3Confident84.9Confident29 Ų2958 Ų5818%0.17628%0.276CS..EExtended strand (participates in β ladder)trans-108.2125.3-178.1-172.60000109.8R39 P79 D81V33-R39 HydrophobicContact CG2-CG 4.36Å; V33-P79 PolarHBondContact N-O 2.8Å; V33-D81 HydrophobicContact CG2-CB 3.61Å
34L87.4Confident85.1Confident6 Ų655.1 Ų55.13%0.03125%0.252CS..  trans-79.8170174-7478.8000111.3C36 R37 H38 L40 L45 L59 C61 L78L34-C36 PolarHBondContact O-N 3.08Å; L34-R37 WeakPolarHBondContact O-CA 3.3Å; L34-R37 PolarHBondContact O-N 3.49Å; L34-H38 WeakPolarHBondContact CD1-O 3.24Å; L34-H38 PolarHBondContact N-O 3.4Å; L34-L40 HydrophobicContact CD1-CD1 3.66Å; L34-L45 HydrophobicContact CD1-CD2 3.92Å; L34-L59 HydrophobicContact CD2-CD2 3.43Å; L34-L59 VanDerWaalsContact CD2-CD2 3.43Å; L34-L59 HydrophobicContact CG-CD2 4.21Å; L34-C61 HydrophobicContact CD2-CB 3.56Å; L34-L78 HydrophobicContact CG-CD2 4.26Å
35K83.9Confident85.2Confident143 Ų14354.5 Ų54.562%0.62225%0.249SC*.THydrogen-bonded Turntrans-56.9-32.6173.7-76.1-179.3-171.5-175.60113R37 T68 R69K35-R37 PolarHBondContact O-N 3.29Å; K35-T68 HydrophobicContact CB-CG2 4.39Å; K35-T68 HydrophobicContact CD-CG2 4.29Å; K35-T68 HydrophobicContact CG-CG2 3.9Å; K35-T68 PolarHBondContact N-OG1 3.19Å; K35-R69 VanDerWaalsContact CE-O 3.3Å; K35-R69 WeakPolarHBondContact CE-O 3.43Å; K35-R69 PolarHBondContact NZ-O 3.25Å
36C86.1Confident85.3Confident33 Ų3354.1 Ų54.122%0.22325%0.25CS..THydrogen-bonded Turntrans-77.56175.957.60000114.1L34 H38 C64 C66L34-C36 PolarHBondContact O-N 3.08Å; C36-H38 PolarHBondContact O-N 2.98Å; C36-H38 PolarHBondContact SG-ND1 3.33Å; C36-H38 VanDerWaalsContact SG-ND1 3.37Å; C36-C64 WeakPolarHBondContact CB-SG 3.19Å; C36-C64 PolarHBondContact SG-SG 3.17Å; C36-C66 HydrophobicContact CB-CB 3.83Å
37R85.8Confident85.5Confident209 Ų20956.5 Ų56.579%0.78926%0.257SS*.  trans64.36.2-176.5-53.5-164.1179.5101.1-1.9116.2L34 K35L34-R37 WeakPolarHBondContact O-CA 3.3Å; L34-R37 PolarHBondContact O-N 3.49Å; K35-R37 PolarHBondContact O-N 3.29Å
38H88.9Confident85.8Confident67 Ų6750.4 Ų50.431%0.3123%0.23SC..  trans-69146.4167.7-70.4109.6000111.2L34 C36 L40 C61 F63 C64L34-H38 WeakPolarHBondContact CD1-O 3.24Å; L34-H38 PolarHBondContact N-O 3.4Å; C36-H38 PolarHBondContact O-N 2.98Å; C36-H38 PolarHBondContact SG-ND1 3.33Å; C36-H38 VanDerWaalsContact SG-ND1 3.37Å; H38-L40 HydrophobicContact CB-CD1 4.26Å; H38-C61 PolarHBondContact ND1-SG 3.22Å; H38-F63 HydrophobicContact CB-CD2 3.92Å; H38-F63 AromaticContact CG-CD2 3.95Å; H38-C64 VanDerWaalsContact CE1-SG 3.52Å; H38-C64 PolarHBondContact ND1-SG 3.48Å
39R88.1Confident86.2Confident124 Ų12450.2 Ų50.247%0.46823%0.227SC..EExtended strand (participates in β ladder)trans-112.2125.1-174.6-62.8169.6176.6121.9-4.3110.4Y24 K32 V33 D81Y24-R39 PolarHBondContact OH-O 3.46Å; K32-R39 WeakPolarHBondContact O-CA 3.34Å; V33-R39 HydrophobicContact CG2-CG 4.36Å; R39-D81 IonicContact CZ-OD2 3.31Å; R39-D81 VanDerWaalsContact CZ-OD2 3.31Å; R39-D81 IonicContact NE-OD2 3.04Å; R39-D81 PolarHBondContact NE-OD2 3.24Å; R39-D81 IonicContact NH2-OD2 2.68Å; R39-D81 PolarHBondContact NH2-OD2 3.42Å; R39-D81 VanDerWaalsContact NH2-OD2 3.08Å
40L88.9Confident86.1Confident0 Ų055.4 Ų55.40%025%0.254CS..EExtended strand (participates in β ladder)trans-135.2151.9175.3-73.173.1000108.7I19 K32 L34 H38 L45 I48 P62 F63I19-L40 HydrophobicContact CD1-CD2 3.27Å; I19-L40 HydrophobicContact CD1-CG 3.71Å; K32-L40 PolarHBondContact N-O 3.13Å; K32-L40 PolarHBondContact O-N 2.95Å; L34-L40 HydrophobicContact CD1-CD1 3.66Å; H38-L40 HydrophobicContact CB-CD1 4.26Å; L40-L45 HydrophobicContact CB-CD1 4.24Å; L40-L45 HydrophobicContact CB-CD2 3.82Å; L40-L45 HydrophobicContact CB-CG 3.77Å; L40-L45 HydrophobicContact CD2-CD2 3.59Å; L40-L45 HydrophobicContact CD2-CG 4.27Å; L40-L45 HydrophobicContact CG-CD2 4.26Å; L40-I48 HydrophobicContact CD2-CD1 3.67Å; L40-P62 HydrophobicContact CD2-CG 3.77Å; L40-F63 HydrophobicContact CD1-CD2 3.88Å; L40-F63 HydrophobicContact CD1-CE2 3.45Å; L40-F63 VanDerWaalsContact CD1-CE2 3.45Å; L40-F63 HydrophobicContact CD2-CE2 4.49Å; L40-F63 HydrophobicContact CG-CE2 3.92Å
41C88.5Confident85.7Confident0 Ų055.9 Ų55.90%026%0.263CS..EExtended strand (participates in β ladder)trans-72.1152.4172.773.50000110.9C17 C20 Y24 C29 R30 K43 C44 L45C17-C41 HydrophobicContact CB-CB 3.97Å; C17-C41 PolarHBondContact SG-N 3.44Å; C17-C41 VanDerWaalsContact SG-N 3.41Å; C17-C41 VanDerWaalsContact SG-SG 3.61Å; C20-C41 VanDerWaalsContact SG-SG 3.67Å; Y24-C41 HydrophobicContact CD1-CB 4.13Å; Y24-C41 HydrophobicContact CE1-CB 3.91Å; C29-C41 HydrophobicContact CB-CB 4.22Å; R30-C41 CarbonylContact O-C 3.57Å; R30-C41 WeakPolarHBondContact O-CA 3.43Å; C41-K43 VanDerWaalsContact C-N 3.28Å; C41-K43 PolarHBondContact O-N 3.29Å; C41-C44 PolarHBondContact O-N 2.84Å; C41-C44 VanDerWaalsContact O-N 3.13Å; C41-C44 PolarHBondContact SG-N 2.96Å; C41-C44 VanDerWaalsContact SG-N 3.42Å; C41-C44 PolarHBondContact SG-SG 2.84Å; C41-L45 PolarHBondContact O-N 3.26Å; C41-L45 VanDerWaalsContact O-N 3.08Å
42S87.8Confident84.8Confident25 Ų2557.3 Ų57.318%0.17528%0.278CS..Hα-helixtrans-51.4-42.9177.4520000113.1S28 R30 C44 L45 C46S28-S42 PolarHBondContact O-OG 3.44Å; R30-S42 PolarHBondContact O-N 3.31Å; S42-C44 PolarHBondContact O-N 3.49Å; S42-L45 PolarHBondContact O-N 3.49Å; S42-C46 PolarHBondContact O-N 2.95Å; S42-C46 PolarHBondContact O-SG 2.88Å
43K87.4Confident83.5Confident63 Ų6366.9 Ų66.927%0.27432%0.323SS..Hα-helixtrans-58-47.5176.5-76.6173.8-173.3-1770113.1S28 C41 L45 C46 K47 Y245S28-K43 WeakPolarHBondContact O-CD 3.45Å; S28-K43 VanDerWaalsContact O-CE 3.24Å; S28-K43 WeakPolarHBondContact O-CE 3.37Å; S28-K43 VanDerWaalsContact O-CG 3.27Å; S28-K43 WeakPolarHBondContact O-CG 3.14Å; S28-K43 WeakPolarHBondContact OG-CE 3.49Å; S28-K43 PolarHBondContact OG-NZ 2.89Å; C41-K43 VanDerWaalsContact C-N 3.28Å; C41-K43 PolarHBondContact O-N 3.29Å; K43-L45 VanDerWaalsContact C-N 3.32Å; K43-C46 PolarHBondContact O-N 3.33Å; K43-K47 WeakPolarHBondContact O-CG 3.22Å; K43-K47 PolarHBondContact O-N 3.41Å; K43-K47 VanDerWaalsContact O-N 3.11Å; K43-Y245 PolarHBondContact NZ-OH 3.38Å
44C87.6Confident82.4Confident9 Ų967.3 Ų67.36%0.06133%0.327CS..Hα-helixtrans-65.8-38.8179.7-74.20000111.2I19 C41 S42 K47 I48I19-C44 HydrophobicContact CB-CB 4.25Å; I19-C44 HydrophobicContact CD1-CB 4.32Å; I19-C44 HydrophobicContact CG2-CB 4.21Å; C41-C44 PolarHBondContact O-N 2.84Å; C41-C44 VanDerWaalsContact O-N 3.13Å; C41-C44 PolarHBondContact SG-N 2.96Å; C41-C44 VanDerWaalsContact SG-N 3.42Å; C41-C44 PolarHBondContact SG-SG 2.84Å; S42-C44 PolarHBondContact O-N 3.49Å; C44-K47 PolarHBondContact O-N 3.01Å; C44-I48 WeakPolarHBondContact O-CD1 3.42Å; C44-I48 WeakPolarHBondContact O-CG1 3.13Å; C44-I48 PolarHBondContact O-N 3.31Å
45L87.1Confident81.4Confident0 Ų070.5 Ų70.50%035%0.348CS..Hα-helixtrans-65-41.8176.1-70172.8000112.6K32 L34 L40 C41 S42 K43 I48 L49 L59 V75K32-L45 HydrophobicContact CB-CD1 3.29Å; K32-L45 HydrophobicContact CG-CD1 3.86Å; L34-L45 HydrophobicContact CD1-CD2 3.92Å; L40-L45 HydrophobicContact CB-CD1 4.24Å; L40-L45 HydrophobicContact CB-CD2 3.82Å; L40-L45 HydrophobicContact CB-CG 3.77Å; L40-L45 HydrophobicContact CD2-CD2 3.59Å; L40-L45 HydrophobicContact CD2-CG 4.27Å; L40-L45 HydrophobicContact CG-CD2 4.26Å; C41-L45 PolarHBondContact O-N 3.26Å; C41-L45 VanDerWaalsContact O-N 3.08Å; S42-L45 PolarHBondContact O-N 3.49Å; K43-L45 VanDerWaalsContact C-N 3.32Å; L45-I48 PolarHBondContact O-N 2.76Å; L45-L49 PolarHBondContact O-N 3.4Å; L45-L49 VanDerWaalsContact O-N 3.08Å; L45-L59 HydrophobicContact CB-CD1 4.05Å; L45-L59 HydrophobicContact CD2-CD1 3.45Å; L45-L59 VanDerWaalsContact CD2-CD1 3.45Å; L45-L59 HydrophobicContact CD2-CD2 3.82Å; L45-L59 HydrophobicContact CD2-CG 4.33Å; L45-L59 HydrophobicContact CG-CD1 4.32Å; L45-V75 HydrophobicContact CB-CG1 3.49Å; L45-V75 VanDerWaalsContact CB-CG1 3.49Å; L45-V75 HydrophobicContact CB-CG2 4.15Å; L45-V75 HydrophobicContact CD1-CG1 3.9Å; L45-V75 HydrophobicContact CG-CG1 4.36Å
46C84.9Confident80.7Confident44 Ų4466.7 Ų66.730%0.29734%0.338SS..Hα-helixtrans-59.1-49.7174.9-64.80000110.7S42 K43 I48 L49 D50 V75S42-C46 PolarHBondContact O-N 2.95Å; S42-C46 PolarHBondContact O-SG 2.88Å; K43-C46 PolarHBondContact O-N 3.33Å; C46-I48 VanDerWaalsContact C-N 3.28Å; C46-I48 PolarHBondContact O-N 3.05Å; C46-L49 WeakPolarHBondContact O-CB 3.14Å; C46-L49 PolarHBondContact O-N 3.46Å; C46-D50 PolarHBondContact O-N 2.87Å; C46-V75 HydrophobicContact CB-CG2 4.4Å
47K84.1Confident80.1Confident123 Ų12368.4 Ų68.454%0.53535%0.345SS..Hα-helixtrans-58-39.9177.2-70.1-179.8179.7-173.70112.6K43 C44 L49 D50 L51K43-K47 WeakPolarHBondContact O-CG 3.22Å; K43-K47 PolarHBondContact O-N 3.41Å; K43-K47 VanDerWaalsContact O-N 3.11Å; C44-K47 PolarHBondContact O-N 3.01Å; K47-L49 VanDerWaalsContact C-N 3.3Å; K47-L49 PolarHBondContact O-N 3.42Å; K47-D50 PolarHBondContact O-N 3.44Å; K47-L51 HydrophobicContact CB-CD1 4.24Å; K47-L51 WeakPolarHBondContact O-CB 3.5Å; K47-L51 WeakPolarHBondContact O-CD1 3.37Å; K47-L51 PolarHBondContact O-N 2.97Å
48I84.1Confident79.9Confident48 Ų4858.8 Ų58.825%0.24631%0.31CS..Hα-helixtrans-65.6-35.7178.8-69.9162.6000111.3I19 L40 C44 L45 C46 G52 L59 P62I19-I48 HydrophobicContact CD1-CD1 3.95Å; L40-I48 HydrophobicContact CD2-CD1 3.67Å; C44-I48 WeakPolarHBondContact O-CD1 3.42Å; C44-I48 WeakPolarHBondContact O-CG1 3.13Å; C44-I48 PolarHBondContact O-N 3.31Å; L45-I48 PolarHBondContact O-N 2.76Å; C46-I48 VanDerWaalsContact C-N 3.28Å; C46-I48 PolarHBondContact O-N 3.05Å; I48-G52 PolarHBondContact O-N 2.91Å; I48-G52 VanDerWaalsContact O-N 3.11Å; I48-L59 HydrophobicContact CG2-CD1 4.48Å; I48-L59 HydrophobicContact CG2-CG 4.22Å; I48-P62 HydrophobicContact CD1-CG 4.05Å
49L81.2Confident79.7Confident23 Ų2355.6 Ų55.612%0.1230%0.295CS..Hα-helixtrans-69.1-47172.3-69.4175.5000111.7L45 C46 K47 L51 G52 L59 F70 V75L45-L49 PolarHBondContact O-N 3.4Å; L45-L49 VanDerWaalsContact O-N 3.08Å; C46-L49 WeakPolarHBondContact O-CB 3.14Å; C46-L49 PolarHBondContact O-N 3.46Å; K47-L49 VanDerWaalsContact C-N 3.3Å; K47-L49 PolarHBondContact O-N 3.42Å; L49-L51 VanDerWaalsContact C-N 3.27Å; L49-L51 PolarHBondContact O-N 3.11Å; L49-G52 PolarHBondContact O-N 2.71Å; L49-G52 VanDerWaalsContact O-N 3.08Å; L49-L59 HydrophobicContact CD1-CD1 4.41Å; L49-L59 HydrophobicContact CD2-CB 3.83Å; L49-L59 HydrophobicContact CD2-CD1 3.96Å; L49-L59 HydrophobicContact CD2-CG 4.14Å; L49-L59 HydrophobicContact CG-CD1 3.86Å; L49-F70 HydrophobicContact CD1-CE1 4.4Å; L49-F70 HydrophobicContact CD1-CE2 4.44Å; L49-F70 HydrophobicContact CD1-CZ 3.65Å; L49-F70 HydrophobicContact CD2-CE1 4.25Å; L49-F70 HydrophobicContact CD2-CZ 4.03Å; L49-V75 HydrophobicContact CD1-CG2 3.29Å; L49-V75 HydrophobicContact CG-CG2 4.33Å
50D78.3Confident79.7Confident116 Ų11652.7 Ų52.762%0.6229%0.291SS*.Hα-helixtrans-63.9-32.2-176.4-61.5-30.5000112.7C46 K47C46-D50 PolarHBondContact O-N 2.87Å; K47-D50 PolarHBondContact O-N 3.44Å
51L75.6Confident79.7Confident101 Ų10152.7 Ų52.753%0.52929%0.291SS..THydrogen-bonded Turntrans-90.9-11.2176.1-78.1100.3000113.5K47 L49K47-L51 HydrophobicContact CB-CD1 4.24Å; K47-L51 WeakPolarHBondContact O-CB 3.5Å; K47-L51 WeakPolarHBondContact O-CD1 3.37Å; K47-L51 PolarHBondContact O-N 2.97Å; L49-L51 VanDerWaalsContact C-N 3.27Å; L49-L51 PolarHBondContact O-N 3.11Å
52G68.4Low79.6Confident31 Ų3155.9 Ų55.932%0.3231%0.312SS..  trans-80.1135.7-17600000111.6I48 L49 S54I48-G52 PolarHBondContact O-N 2.91Å; I48-G52 VanDerWaalsContact O-N 3.11Å; L49-G52 PolarHBondContact O-N 2.71Å; L49-G52 VanDerWaalsContact O-N 3.08Å; G52-S54 PolarHBondContact O-N 3.27Å
53E61.1Low79.6Confident210 Ų21059.2 Ų59.298%0.98132%0.324SS*.SBendtrans-71.50.3163.7-65.5173.7165.300112.1
54S64.4Low79.6Confident38 Ų3858.5 Ų58.527%0.26633%0.326SS..SBendtrans-69.8148.9177.546.90000111.3G52 A58G52-S54 PolarHBondContact O-N 3.27Å; S54-A58 PolarHBondContact OG-O 2.99Å
55P67.5Low79.6Confident73 Ų7368.2 Ų68.247%0.47436%0.361SS..  trans-60.1150.3175.327.8-34.6000110.5D57 A58P55-D57 VanDerWaalsContact CB-OD1 3.29Å; P55-D57 WeakPolarHBondContact CB-OD1 3.42Å; P55-D57 WeakPolarHBondContact CG-OD1 3.27Å; P55-D57 PolarHBondContact O-N 3.18Å; P55-A58 HydrophobicContact CG-CB 3.99Å; P55-A58 PolarHBondContact O-N 2.76Å
56P68.2Low79.5Confident63 Ų6371 Ų7141%0.40938%0.381SS..THydrogen-bonded Turntrans-62-9.8-169.920.7-32000115.3F70 E73P56-F70 WeakPolarHBondContact O-CZ 3.27Å; P56-E73 HydrophobicContact CB-CG 3.7Å; P56-E73 WeakPolarHBondContact CB-OE1 3.26Å
57D74.6Confident79.5Confident70 Ų7072.7 Ų72.737%0.37439%0.389SS..THydrogen-bonded Turntrans-101.12.6179.867.4-24.1000113.6P55 R69 F70P55-D57 VanDerWaalsContact CB-OD1 3.29Å; P55-D57 WeakPolarHBondContact CB-OD1 3.42Å; P55-D57 WeakPolarHBondContact CG-OD1 3.27Å; P55-D57 PolarHBondContact O-N 3.18Å; D57-R69 WeakPolarHBondContact O-CA 3.39Å; D57-F70 PolarHBondContact O-N 2.99Å
58A81Confident79.5Confident6 Ų667.1 Ų67.15%0.0537%0.365CS..EExtended strand (participates in β ladder)trans-134.6127.8-174.900000112.7S54 P55 T67 R69S54-A58 PolarHBondContact OG-O 2.99Å; P55-A58 HydrophobicContact CG-CB 3.99Å; P55-A58 PolarHBondContact O-N 2.76Å; A58-T67 HydrophobicContact CB-CG2 3.95Å; A58-R69 HydrophobicContact CB-CG 4.33Å
59L85.4Confident79.4Confident0 Ų073.4 Ų73.40%039%0.386CS..EExtended strand (participates in β ladder)trans-115.2130.7176.6-170.7146.2000111L34 L45 I48 L49 T67 T68 F70L34-L59 HydrophobicContact CD2-CD2 3.43Å; L34-L59 VanDerWaalsContact CD2-CD2 3.43Å; L34-L59 HydrophobicContact CG-CD2 4.21Å; L45-L59 HydrophobicContact CB-CD1 4.05Å; L45-L59 HydrophobicContact CD2-CD1 3.45Å; L45-L59 VanDerWaalsContact CD2-CD1 3.45Å; L45-L59 HydrophobicContact CD2-CD2 3.82Å; L45-L59 HydrophobicContact CD2-CG 4.33Å; L45-L59 HydrophobicContact CG-CD1 4.32Å; I48-L59 HydrophobicContact CG2-CD1 4.48Å; I48-L59 HydrophobicContact CG2-CG 4.22Å; L49-L59 HydrophobicContact CD1-CD1 4.41Å; L49-L59 HydrophobicContact CD2-CB 3.83Å; L49-L59 HydrophobicContact CD2-CD1 3.96Å; L49-L59 HydrophobicContact CD2-CG 4.14Å; L49-L59 HydrophobicContact CG-CD1 3.86Å; L59-T67 CarbonylContact O-C 3.54Å; L59-T67 WeakPolarHBondContact O-CA 3.29Å; L59-T68 PolarHBondContact N-O 2.93Å; L59-T68 PolarHBondContact O-N 3.02Å; L59-F70 HydrophobicContact CB-CE1 4.06Å
60V87.5Confident79.1Confident63 Ų6373.5 Ų73.538%0.38239%0.386SS..EExtended strand (participates in β ladder)trans-91.4125172.8179.80000109.8R65V60-R65 HydrophobicContact CG1-CB 4.36Å
61C88.2Confident78.3Confident0 Ų075.7 Ų75.70%040%0.397CS..  trans-64.8127.3176.6-176.30000111L34 H38 F63 R65 C66L34-C61 HydrophobicContact CD2-CB 3.56Å; H38-C61 PolarHBondContact ND1-SG 3.22Å; C61-F63 PolarHBondContact O-N 3.29Å; C61-R65 WeakPolarHBondContact O-CA 3.36Å; C61-R65 PolarHBondContact O-N 3.37Å; C61-C66 WeakPolarHBondContact CB-O 3.43Å; C61-C66 PolarHBondContact N-O 3.11Å
62P87.7Confident77.5Confident68 Ų6873 Ų7344%0.44239%0.393SS..THydrogen-bonded Turntrans-70.5-20.5179.226-32.5000113.5I19 L40 I48I19-P62 HydrophobicContact CD1-CG 3.67Å; L40-P62 HydrophobicContact CD2-CG 3.77Å; I48-P62 HydrophobicContact CD1-CG 4.05Å
63F87.3Confident77.1Confident95 Ų9578.6 Ų78.642%0.41741%0.411SS..THydrogen-bonded Turntrans-84.7-43.9-178.7-58.3-69.2000112.7K18 I19 H38 L40 C61K18-F63 HydrophobicContact CB-CE1 4.26Å; K18-F63 HydrophobicContact CB-CZ 3.94Å; I19-F63 HydrophobicContact CD1-CE2 4.43Å; I19-F63 HydrophobicContact CD1-CZ 4.33Å; I19-F63 HydrophobicContact CG1-CZ 3.98Å; H38-F63 HydrophobicContact CB-CD2 3.92Å; H38-F63 AromaticContact CG-CD2 3.95Å; L40-F63 HydrophobicContact CD1-CD2 3.88Å; L40-F63 HydrophobicContact CD1-CE2 3.45Å; L40-F63 VanDerWaalsContact CD1-CE2 3.45Å; L40-F63 HydrophobicContact CD2-CE2 4.49Å; L40-F63 HydrophobicContact CG-CE2 3.92Å; C61-F63 PolarHBondContact O-N 3.29Å
64C87.6Confident77.3Confident48 Ų4870.5 Ų70.532%0.32438%0.379SS..THydrogen-bonded Turntrans-1274.6-171.869.20000114.5C36 H38 C66C36-C64 WeakPolarHBondContact CB-SG 3.19Å; C36-C64 PolarHBondContact SG-SG 3.17Å; H38-C64 VanDerWaalsContact CE1-SG 3.52Å; H38-C64 PolarHBondContact ND1-SG 3.48Å; C64-C66 PolarHBondContact O-N 3.18Å; C64-C66 PolarHBondContact SG-SG 2.83Å
65R87.4Confident77.5Confident212 Ų21269 Ų6980%0.837%0.369SS*.  trans58.89.5179.6-54.7-176.8179.6-148.3-0.1115.6V60 C61 T67V60-R65 HydrophobicContact CG1-CB 4.36Å; C61-R65 WeakPolarHBondContact O-CA 3.36Å; C61-R65 PolarHBondContact O-N 3.37Å; R65-T67 PolarHBondContact O-N 3.33Å
66C85.6Confident77.6Confident60 Ų6075.2 Ų75.241%0.40538%0.383SS..  trans-69.7131.5174.3-61.40000111C36 C61 C64C36-C66 HydrophobicContact CB-CB 3.83Å; C61-C66 WeakPolarHBondContact CB-O 3.43Å; C61-C66 PolarHBondContact N-O 3.11Å; C64-C66 PolarHBondContact O-N 3.18Å; C64-C66 PolarHBondContact SG-SG 2.83Å
67T84.9Confident77.7Confident79 Ų7976.9 Ų76.949%0.48539%0.388SS..EExtended strand (participates in β ladder)trans-81.2124.8177-49.50000111.4A58 L59 R65A58-T67 HydrophobicContact CB-CG2 3.95Å; L59-T67 CarbonylContact O-C 3.54Å; L59-T67 WeakPolarHBondContact O-CA 3.29Å; R65-T67 PolarHBondContact O-N 3.33Å
68T84.3Confident77.9Confident5 Ų573.9 Ų73.93%0.03137%0.372CS..EExtended strand (participates in β ladder)trans-104.4108.3172.3-63.30000109K35 L59 L78K35-T68 HydrophobicContact CB-CG2 4.39Å; K35-T68 HydrophobicContact CD-CG2 4.29Å; K35-T68 HydrophobicContact CG-CG2 3.9Å; K35-T68 PolarHBondContact N-OG1 3.19Å; L59-T68 PolarHBondContact N-O 2.93Å; L59-T68 PolarHBondContact O-N 3.02Å; T68-L78 HydrophobicContact CG2-CD2 4.01Å
69R80.4Confident77.8Confident180 Ų18077.8 Ų77.868%0.67940%0.397SS*.EExtended strand (participates in β ladder)trans-85.5136.2169.4-63.4-172.8-176.6171.30.1111K35 D57 A58K35-R69 VanDerWaalsContact CE-O 3.3Å; K35-R69 WeakPolarHBondContact CE-O 3.43Å; K35-R69 PolarHBondContact NZ-O 3.25Å; D57-R69 WeakPolarHBondContact O-CA 3.39Å; A58-R69 HydrophobicContact CB-CG 4.33Å
70F75.1Confident77.7Confident25 Ų2579.4 Ų79.411%0.1141%0.406CS..  trans-133.8158.5178.152.5-81.6000110.3L49 P56 D57 L59 G72 L78L49-F70 HydrophobicContact CD1-CE1 4.4Å; L49-F70 HydrophobicContact CD1-CE2 4.44Å; L49-F70 HydrophobicContact CD1-CZ 3.65Å; L49-F70 HydrophobicContact CD2-CE1 4.25Å; L49-F70 HydrophobicContact CD2-CZ 4.03Å; P56-F70 WeakPolarHBondContact O-CZ 3.27Å; D57-F70 PolarHBondContact O-N 2.99Å; L59-F70 HydrophobicContact CB-CE1 4.06Å; F70-G72 WeakPolarHBondContact CD2-O 3.43Å; F70-G72 WeakPolarHBondContact CE2-O 3.21Å; F70-G72 PolarHBondContact O-N 3.44Å; F70-L78 HydrophobicContact CD1-CD1 4.04Å; F70-L78 HydrophobicContact CE1-CD1 4.46Å; F70-L78 HydrophobicContact CG-CD1 4.11Å
71L61.5Low77.5Confident163 Ų16377.1 Ų77.185%0.85339%0.391SS*.SBendtrans-83.3111.8-176.6-158.179.1000109.1N77L71-N77 PolarHBondContact O-ND2 3.49Å
72G59.9Low77Confident43 Ų4381.9 Ų81.944%0.44342%0.424SS..SBendtrans85.7173179.900000114.7F70 A74F70-G72 WeakPolarHBondContact CD2-O 3.43Å; F70-G72 WeakPolarHBondContact CE2-O 3.21Å; F70-G72 PolarHBondContact O-N 3.44Å; G72-A74 VanDerWaalsContact C-N 3.25Å; G72-A74 PolarHBondContact O-N 3.45Å
73E58.7Low76.6Confident150 Ų15082 Ų8270%0.70143%0.426SS*.SBendtrans-76.10.7-168.4-148.7125.8179.200115.4P56P56-E73 HydrophobicContact CB-CG 3.7Å; P56-E73 WeakPolarHBondContact CB-OE1 3.26Å
74A66.2Low76.3Confident39 Ų3977.8 Ų77.832%0.32241%0.408SS..  trans-106.2117.9-166.300000113G72 R76 N77G72-A74 VanDerWaalsContact C-N 3.25Å; G72-A74 PolarHBondContact O-N 3.45Å; A74-R76 HydrophobicContact CB-CB 4.31Å; A74-R76 PolarHBondContact O-N 2.77Å; A74-N77 WeakPolarHBondContact O-CB 3.41Å; A74-N77 PolarHBondContact O-N 3.39Å
75V68.8Low76.1Confident8 Ų876.7 Ų76.75%0.04840%0.4CS..G310 helixtrans-48.3-26.2165.2176.50000112.9L45 C46 L49 N77 L78L45-V75 HydrophobicContact CB-CG1 3.49Å; L45-V75 VanDerWaalsContact CB-CG1 3.49Å; L45-V75 HydrophobicContact CB-CG2 4.15Å; L45-V75 HydrophobicContact CD1-CG1 3.9Å; L45-V75 HydrophobicContact CG-CG1 4.36Å; C46-V75 HydrophobicContact CB-CG2 4.4Å; L49-V75 HydrophobicContact CD1-CG2 3.29Å; L49-V75 HydrophobicContact CG-CG2 4.33Å; V75-N77 PolarHBondContact O-N 2.83Å; V75-L78 PolarHBondContact O-N 3.14Å; V75-L78 VanDerWaalsContact O-N 3.12Å
76R68.8Low75.8Confident203 Ų20369 Ų6977%0.76638%0.382SS*.G310 helixtrans-57.5-28.2176.6-62-17570.4-158.41112.8K32 A74 L78K32-R76 PolarHBondContact NZ-O 2.8Å; K32-R76 VanDerWaalsContact NZ-O 3.13Å; A74-R76 HydrophobicContact CB-CB 4.31Å; A74-R76 PolarHBondContact O-N 2.77Å; R76-L78 VanDerWaalsContact C-N 3.28Å; R76-L78 PolarHBondContact O-N 3.49Å
77N71.2Confident75.5Confident98 Ų9870.5 Ų70.552%0.52438%0.379SS..G310 helixtrans-76.5-11.7-179.1-64.2-30.8000113.4L71 A74 V75L71-N77 PolarHBondContact O-ND2 3.49Å; A74-N77 WeakPolarHBondContact O-CB 3.41Å; A74-N77 PolarHBondContact O-N 3.39Å; V75-N77 PolarHBondContact O-N 2.83Å
78L78.5Confident75.4Confident6 Ų667.5 Ų67.53%0.03136%0.36CS..SBendtrans-70.3142.9171-79.696.6000110.5K32 L34 T68 F70 V75 R76K32-L78 HydrophobicContact CB-CB 4.4Å; K32-L78 HydrophobicContact CD-CB 4.06Å; K32-L78 VanDerWaalsContact CD-O 3.3Å; K32-L78 WeakPolarHBondContact CD-O 3.27Å; K32-L78 WeakPolarHBondContact CE-O 3.46Å; K32-L78 PolarHBondContact NZ-O 3.44Å; L34-L78 HydrophobicContact CG-CD2 4.26Å; T68-L78 HydrophobicContact CG2-CD2 4.01Å; F70-L78 HydrophobicContact CD1-CD1 4.04Å; F70-L78 HydrophobicContact CE1-CD1 4.46Å; F70-L78 HydrophobicContact CG-CD1 4.11Å; V75-L78 PolarHBondContact O-N 3.14Å; V75-L78 VanDerWaalsContact O-N 3.12Å; R76-L78 VanDerWaalsContact C-N 3.28Å; R76-L78 PolarHBondContact O-N 3.49Å
79P79.6Confident75.3Confident89 Ų8969.2 Ų69.258%0.57837%0.374SS*.PPolyproline II helixtrans-63.3139.3176.626.4-32.9000110.6V33V33-P79 PolarHBondContact N-O 2.8Å
80D83.3Confident75.2Confident33 Ų3365.7 Ų65.718%0.17637%0.368CS..BIsolated β-bridgetrans-77.5153.1170.2-59-65.4000110.2R30 P31 K32 C82 V85R30-D80 WeakPolarHBondContact CD-OD1 3.31Å; R30-D80 IonicContact CZ-OD1 3.56Å; R30-D80 IonicContact CZ-OD2 2.87Å; R30-D80 IonicContact NE-OD1 3.42Å; R30-D80 PolarHBondContact NE-OD1 3.24Å; R30-D80 IonicContact NE-OD2 3.52Å; R30-D80 IonicContact NH1-OD1 3.8Å; R30-D80 IonicContact NH1-OD2 2.98Å; R30-D80 PolarHBondContact NH1-OD2 3.34Å; R30-D80 IonicContact NH2-OD2 2.9Å; R30-D80 PolarHBondContact NH2-OD2 3.31Å; P31-D80 WeakPolarHBondContact O-CA 3.27Å; K32-D80 WeakPolarHBondContact CD-OD1 3.41Å; K32-D80 WeakPolarHBondContact CE-OD1 3.33Å; K32-D80 VanDerWaalsContact NZ-CG 3.28Å; K32-D80 IonicContact NZ-OD1 2.73Å; K32-D80 PolarHBondContact NZ-OD1 2.89Å; K32-D80 IonicContact NZ-OD2 3.31Å; K32-D80 PolarHBondContact NZ-OD2 3.29Å; D80-C82 PolarHBondContact O-N 3.23Å; D80-V85 HydrophobicContact CB-CG2 4.15Å
81D81.8Confident75.3Confident15 Ų1568.4 Ų68.48%0.0838%0.381CS..  trans-74.595.8167.4-166.8-38.7000109.4P31 V33 R39 S83 L84 V85P31-D81 HydrophobicContact CB-CB 4.38Å; P31-D81 HydrophobicContact CG-CB 4.42Å; P31-D81 PolarHBondContact O-N 3Å; V33-D81 HydrophobicContact CG2-CB 3.61Å; R39-D81 IonicContact CZ-OD2 3.31Å; R39-D81 VanDerWaalsContact CZ-OD2 3.31Å; R39-D81 IonicContact NE-OD2 3.04Å; R39-D81 PolarHBondContact NE-OD2 3.24Å; R39-D81 IonicContact NH2-OD2 2.68Å; R39-D81 PolarHBondContact NH2-OD2 3.42Å; R39-D81 VanDerWaalsContact NH2-OD2 3.08Å; D81-S83 PolarHBondContact O-N 3.31Å; D81-S83 WeakPolarHBondContact OD1-CB 3.24Å; D81-S83 PolarHBondContact OD1-N 3.02Å; D81-S83 PolarHBondContact OD1-OG 2.88Å; D81-L84 HydrophobicContact CB-CB 4.02Å; D81-L84 PolarHBondContact O-N 3.01Å; D81-L84 VanDerWaalsContact O-N 3.16Å; D81-L84 PolarHBondContact OD1-N 2.92Å; D81-V85 WeakPolarHBondContact O-CB 3.27Å; D81-V85 VanDerWaalsContact O-CG2 3.29Å; D81-V85 WeakPolarHBondContact O-CG2 3.41Å; D81-V85 PolarHBondContact O-N 2.98Å
82C78.4Confident75.8Confident101 Ų10162.5 Ų62.568%0.68235%0.353SS*.Hα-helixtrans-56.4-33.8-179.1-62.20000112.9D80 A86D80-C82 PolarHBondContact O-N 3.23Å; C82-A86 VanDerWaalsContact O-CB 3.25Å; C82-A86 WeakPolarHBondContact O-CB 3.31Å; C82-A86 PolarHBondContact O-N 3.04Å
83S80.1Confident76.5Confident69 Ų6968.3 Ų68.348%0.48336%0.362SS..Hα-helixtrans-69-41.4-179.873.60000111.4D81 R87D81-S83 PolarHBondContact O-N 3.31Å; D81-S83 WeakPolarHBondContact OD1-CB 3.24Å; D81-S83 PolarHBondContact OD1-N 3.02Å; D81-S83 PolarHBondContact OD1-OG 2.88Å; S83-R87 WeakPolarHBondContact O-CG 3.07Å; S83-R87 PolarHBondContact O-N 3.08Å; S83-R87 VanDerWaalsContact O-N 3.13Å
84L81.1Confident77Confident7 Ų766.1 Ų66.14%0.03736%0.355CS..Hα-helixtrans-76.3-39179.4-154.8131.5000111.3E14 Y24 P31 D81 A86 R87 L88E14-L84 WeakPolarHBondContact O-CD1 3.3Å; Y24-L84 HydrophobicContact CD2-CD1 4.25Å; Y24-L84 HydrophobicContact CD2-CD2 3.39Å; Y24-L84 HydrophobicContact CD2-CG 4.48Å; Y24-L84 HydrophobicContact CE2-CD1 4.41Å; Y24-L84 HydrophobicContact CE2-CD2 4.18Å; Y24-L84 HydrophobicContact CG-CD2 3.75Å; P31-L84 HydrophobicContact CB-CD2 3.96Å; P31-L84 HydrophobicContact CG-CB 4.22Å; P31-L84 HydrophobicContact CG-CD2 3.6Å; D81-L84 HydrophobicContact CB-CB 4.02Å; D81-L84 PolarHBondContact O-N 3.01Å; D81-L84 VanDerWaalsContact O-N 3.16Å; D81-L84 PolarHBondContact OD1-N 2.92Å; L84-A86 VanDerWaalsContact C-N 3.33Å; L84-A86 PolarHBondContact O-N 3.36Å; L84-R87 PolarHBondContact O-N 3.08Å; L84-L88 HydrophobicContact CD2-CD1 3.78Å; L84-L88 HydrophobicContact CD2-CG 4.17Å; L84-L88 WeakPolarHBondContact O-CB 3.26Å; L84-L88 VanDerWaalsContact O-CG 3.24Å; L84-L88 WeakPolarHBondContact O-CG 3.47Å; L84-L88 PolarHBondContact O-N 3.26Å
85V82.3Confident77Confident26 Ų2670.4 Ų70.416%0.15837%0.368CS..Hα-helixtrans-59-42.5171.9166.70000111.5L26 R30 P31 D80 D81 L88 A89L26-V85 HydrophobicContact CD2-CB 4.32Å; L26-V85 HydrophobicContact CD2-CG1 3.67Å; L26-V85 HydrophobicContact CD2-CG2 4.4Å; R30-V85 HydrophobicContact CG-CG2 4.47Å; P31-V85 HydrophobicContact CG-CG2 4Å; D80-V85 HydrophobicContact CB-CG2 4.15Å; D81-V85 WeakPolarHBondContact O-CB 3.27Å; D81-V85 VanDerWaalsContact O-CG2 3.29Å; D81-V85 WeakPolarHBondContact O-CG2 3.41Å; D81-V85 PolarHBondContact O-N 2.98Å; V85-L88 PolarHBondContact O-N 3.06Å; V85-A89 WeakPolarHBondContact O-CB 3.33Å; V85-A89 PolarHBondContact O-N 3.45Å
86A80.9Confident76.7Confident51 Ų5178 Ų7842%0.42140%0.396SS..Hα-helixtrans-64.4-44.4176.400000112C82 L84 L88 A89 L90C82-A86 VanDerWaalsContact O-CB 3.25Å; C82-A86 WeakPolarHBondContact O-CB 3.31Å; C82-A86 PolarHBondContact O-N 3.04Å; L84-A86 VanDerWaalsContact C-N 3.33Å; L84-A86 PolarHBondContact O-N 3.36Å; A86-L88 VanDerWaalsContact C-N 3.33Å; A86-L88 PolarHBondContact O-N 3.27Å; A86-A89 PolarHBondContact O-N 3.29Å; A86-L90 WeakPolarHBondContact O-CG 3.39Å; A86-L90 PolarHBondContact O-N 2.89Å
87R80.5Confident76.3Confident91 Ų9172.9 Ų72.934%0.34338%0.384SS..Hα-helixtrans-58.6-43.8174.1-74.1170.863.9-171.8-0.2111.8E14 M15 S83 L84 L90 Q91E14-R87 IonicContact OE2-CZ 3.82Å; E14-R87 IonicContact OE2-NH1 3.08Å; E14-R87 PolarHBondContact OE2-NH1 3.47Å; E14-R87 IonicContact OE2-NH2 3.59Å; M15-R87 HydrophobicContact CE-CB 3.82Å; M15-R87 VanDerWaalsContact CE-CZ 3.49Å; S83-R87 WeakPolarHBondContact O-CG 3.07Å; S83-R87 PolarHBondContact O-N 3.08Å; S83-R87 VanDerWaalsContact O-N 3.13Å; L84-R87 PolarHBondContact O-N 3.08Å; R87-L90 PolarHBondContact O-N 2.84Å; R87-Q91 PolarHBondContact O-N 3.23Å
88L82.4Confident75.6Confident16 Ų1676.4 Ų76.48%0.08440%0.395CS..Hα-helixtrans-64.7-40.9177.2-70.3172.8000112.3Y24 L26 L84 V85 A86 L90 Q91 S92Y24-L88 WeakPolarHBondContact O-CD2 3.45Å; L26-L88 HydrophobicContact CD2-CB 4.33Å; L26-L88 HydrophobicContact CG-CB 4.45Å; L84-L88 HydrophobicContact CD2-CD1 3.78Å; L84-L88 HydrophobicContact CD2-CG 4.17Å; L84-L88 WeakPolarHBondContact O-CB 3.26Å; L84-L88 VanDerWaalsContact O-CG 3.24Å; L84-L88 WeakPolarHBondContact O-CG 3.47Å; L84-L88 PolarHBondContact O-N 3.26Å; V85-L88 PolarHBondContact O-N 3.06Å; A86-L88 VanDerWaalsContact C-N 3.33Å; A86-L88 PolarHBondContact O-N 3.27Å; L88-L90 VanDerWaalsContact C-N 3.35Å; L88-L90 PolarHBondContact O-N 2.98Å; L88-Q91 PolarHBondContact O-N 3.11Å; L88-S92 WeakPolarHBondContact O-CB 3.47Å; L88-S92 PolarHBondContact O-N 3.43Å; L88-S92 PolarHBondContact O-OG 3.05Å
89A80.9Confident74.3Confident40 Ų4086.5 Ų86.533%0.33143%0.432SS..Hα-helixtrans-61.2-44.2176.200000111.4L26 V85 A86 S92 R93L26-A89 HydrophobicContact CD1-CB 4.32Å; V85-A89 WeakPolarHBondContact O-CB 3.33Å; V85-A89 PolarHBondContact O-N 3.45Å; A86-A89 PolarHBondContact O-N 3.29Å; A89-S92 PolarHBondContact O-N 3.08Å; A89-S92 PolarHBondContact O-OG 2.86Å; A89-R93 PolarHBondContact O-N 3.13Å
90L79.4Confident73.1Confident107 Ų10788.6 Ų88.656%0.5644%0.438SS*.Hα-helixtrans-63.3-44.9176-68.7173.6000112.3A86 R87 L88 S92 R93 N94A86-L90 WeakPolarHBondContact O-CG 3.39Å; A86-L90 PolarHBondContact O-N 2.89Å; R87-L90 PolarHBondContact O-N 2.84Å; L88-L90 VanDerWaalsContact C-N 3.35Å; L88-L90 PolarHBondContact O-N 2.98Å; L90-S92 PolarHBondContact O-N 3.01Å; L90-R93 PolarHBondContact O-N 3.1Å; L90-N94 VanDerWaalsContact O-CG 3.27Å; L90-N94 PolarHBondContact O-N 2.97Å
91Q76.9Confident71.4Confident82 Ų8293.3 Ų93.338%0.38346%0.458SS..Hα-helixtrans-61.5-44.4176.1-78.5-176.3-10.400112M15 R87 L88 R93 N94 Q95M15-Q91 PolarHBondContact SD-NE2 2.94Å; M15-Q91 PolarHBondContact SD-OE1 3.4Å; R87-Q91 PolarHBondContact O-N 3.23Å; L88-Q91 PolarHBondContact O-N 3.11Å; Q91-R93 VanDerWaalsContact C-N 3.29Å; Q91-R93 PolarHBondContact O-N 3.46Å; Q91-N94 PolarHBondContact O-N 2.79Å; Q91-Q95 WeakPolarHBondContact O-CB 3.36Å; Q91-Q95 WeakPolarHBondContact O-CG 2.97Å; Q91-Q95 PolarHBondContact O-N 3.48Å
92S72.8Confident69.7Low38 Ų3897.9 Ų97.927%0.26649%0.489SS..Hα-helixtrans-61.9-37.2178.575.50000112.4L88 A89 L90 R96L88-S92 WeakPolarHBondContact O-CB 3.47Å; L88-S92 PolarHBondContact O-N 3.43Å; L88-S92 PolarHBondContact O-OG 3.05Å; A89-S92 PolarHBondContact O-N 3.08Å; A89-S92 PolarHBondContact O-OG 2.86Å; L90-S92 PolarHBondContact O-N 3.01Å; S92-R96 PolarHBondContact O-N 3.39Å
93R74.4Confident67.9Low165 Ų165100 Ų10062%0.62349%0.494SS*.Hα-helixtrans-67.4-44.5176.2-174.1178.3-179.1178.8-0.8111.2A89 L90 Q91 Q95 R96 N97A89-R93 PolarHBondContact O-N 3.13Å; L90-R93 PolarHBondContact O-N 3.1Å; Q91-R93 VanDerWaalsContact C-N 3.29Å; Q91-R93 PolarHBondContact O-N 3.46Å; R93-Q95 PolarHBondContact O-N 2.97Å; R93-R96 PolarHBondContact O-N 2.92Å; R93-N97 VanDerWaalsContact O-CG 3.27Å; R93-N97 PolarHBondContact O-N 3.45Å
94N68.3Low65.9Low105 Ų105101.1 Ų101.156%0.56150%0.502SS*.Hα-helixtrans-64.4-40.2177.9-68.7-10.2000111.8L90 Q91 N97 F98L90-N94 VanDerWaalsContact O-CG 3.27Å; L90-N94 PolarHBondContact O-N 2.97Å; Q91-N94 PolarHBondContact O-N 2.79Å; N94-N97 PolarHBondContact O-N 2.59Å; N94-F98 WeakPolarHBondContact O-CB 3.33Å; N94-F98 PolarHBondContact O-N 2.78Å
95Q66.1Low64.1Low128 Ų128110.3 Ų110.360%0.59854%0.544SS*.Hα-helixtrans-66-40.5176-72.5177.610.200112.6Q91 R93 F98 R99Q91-Q95 WeakPolarHBondContact O-CB 3.36Å; Q91-Q95 WeakPolarHBondContact O-CG 2.97Å; Q91-Q95 PolarHBondContact O-N 3.48Å; R93-Q95 PolarHBondContact O-N 2.97Å; Q95-F98 PolarHBondContact O-N 3.07Å; Q95-R99 PolarHBondContact O-N 3.29Å
96R63.7Low62.1Low169 Ų169113.1 Ų113.164%0.63857%0.571SS**Hα-helixtrans-62.2-44.6172.6-80.4-166.3-166.4114.91.5111.7S92 R93 F98 R99 I100S92-R96 PolarHBondContact O-N 3.39Å; R93-R96 PolarHBondContact O-N 2.92Å; R96-F98 VanDerWaalsContact C-N 3.26Å; R96-F98 PolarHBondContact O-N 3Å; R96-R99 PolarHBondContact O-N 3.33Å; R96-I100 WeakPolarHBondContact O-CG1 3.41Å; R96-I100 PolarHBondContact O-N 2.75Å
97N58.9Low60.6Low94 Ų94119.7 Ų119.750%0.50359%0.592SS.*Hα-helixtrans-61.1-36.8177.3-72.1-9.4000111.8R93 N94R93-N97 VanDerWaalsContact O-CG 3.27Å; R93-N97 PolarHBondContact O-N 3.45Å; N94-N97 PolarHBondContact O-N 2.59Å
98F56.3Low58.6Low172 Ų172122.2 Ų122.275%0.75461%0.612SS**Hα-helixtrans-69.9-40.3176.5-169.5-97.7000112.9N94 Q95 R96 I100 Q101N94-F98 WeakPolarHBondContact O-CB 3.33Å; N94-F98 PolarHBondContact O-N 2.78Å; Q95-F98 PolarHBondContact O-N 3.07Å; R96-F98 VanDerWaalsContact C-N 3.26Å; R96-F98 PolarHBondContact O-N 3Å; F98-I100 VanDerWaalsContact C-N 3.27Å; F98-I100 PolarHBondContact O-N 2.88Å; F98-Q101 PolarHBondContact O-N 3Å
99R52.5Low56.7Low218 Ų218129.6 Ų129.682%0.82365%0.651SS**Hα-helixtrans-69.4-20.3178.6-81.1-169.2172.9-178-0.8114.5Q95 R96 Q101Q95-R99 PolarHBondContact O-N 3.29Å; R96-R99 PolarHBondContact O-N 3.33Å; R99-Q101 VanDerWaalsContact C-N 3.28Å
100I54.7Low54.8Low134 Ų134134.4 Ų134.469%0.68767%0.67SS**THydrogen-bonded Turntrans-80.8-10.5176.5-64.7166.4000111.4R96 F98 P102R96-I100 WeakPolarHBondContact O-CG1 3.41Å; R96-I100 PolarHBondContact O-N 2.75Å; F98-I100 VanDerWaalsContact C-N 3.27Å; F98-I100 PolarHBondContact O-N 2.88Å; I100-P102 VanDerWaalsContact C-CD 3.44Å; I100-P102 WeakPolarHBondContact O-CD 3.4Å
101Q47.8Very low53.3Low131 Ų131133 Ų13361%0.61267%0.669SS**  trans-116.276.3-179.1-162.889.957.400112.6F98 R99 D103F98-Q101 PolarHBondContact O-N 3Å; R99-Q101 VanDerWaalsContact C-N 3.28Å; Q101-D103 PolarHBondContact NE2-O 3.26Å
102P45.6Very low51.7Low112 Ų112134.1 Ų134.173%0.72768%0.684SS**  trans-105.849.3161.839.8-29.2000110.1I100I100-P102 VanDerWaalsContact C-CD 3.44Å; I100-P102 WeakPolarHBondContact O-CD 3.4Å
103D39.2Very low50.4Low145 Ų145143.1 Ų143.178%0.77571%0.712SS**SBendtrans-172.1150153.7-119.1-26.4000109.9Q101Q101-D103 PolarHBondContact NE2-O 3.26Å
104S38.3Very low48.9Very low93 Ų93144.6 Ų144.665%0.6572%0.717SS**  trans88.779.7-176.2-150.20000114.6A106S104-A106 PolarHBondContact O-N 3.43Å
105E43Very low47.7Very low199 Ų199144.7 Ų144.793%0.9372%0.717SS**  trans-33.597.6140.6-168.3-172.1168.600112
106A40.8Very low46.7Very low86 Ų86145.2 Ų145.271%0.71172%0.724SS**  trans-179.794.5147.800000108.8S104S104-A106 PolarHBondContact O-N 3.43Å
107E49.2Very low45.9Very low188 Ų188141 Ų14188%0.87973%0.725SS**  trans-54.1139.6160-66.6-177.8141.900110.6
108L40Very low45.4Very low144 Ų144143.9 Ų143.975%0.75474%0.74SS**  -173.9106123.5-99.6149.8000109.8L110L108-L110 PolarHBondContact O-N 3.12Å
109L41.7Very low45Very low172 Ų172144 Ų14490%0.90175%0.745SS**  trans-49.4112.7162.1-80.1168.9000109.4S111L109-S111 PolarHBondContact O-N 3.47Å
110L40.3Very low44.8Very low141 Ų141135.6 Ų135.674%0.73873%0.727SS**  trans-69.783.7169.5-78.6157000108.9L108 L115L108-L110 PolarHBondContact O-N 3.12Å; L110-L115 HydrophobicContact CD2-CD1 4.34Å
111S48Very low43.9Very low76 Ų76137.2 Ų137.253%0.53174%0.736SS.*  trans-68128161.4-147.90000107.6L109 R113 R114L109-S111 PolarHBondContact O-N 3.47Å; S111-R113 PolarHBondContact O-N 3.02Å; S111-R114 PolarHBondContact O-N 3.44Å
112P43.9Very low43.3Very low107 Ų107138.8 Ų138.870%0.69575%0.749SS**THydrogen-bonded Turntrans-62.8-9.1-166.421-31.6000114.6
113R45.3Very low43.5Very low227 Ų227138.9 Ų138.986%0.85775%0.75SS**THydrogen-bonded Turntrans-79.7-13.9179.9-64.2-177.5178.9178.2-0.4114.6S111S111-R113 PolarHBondContact O-N 3.02Å
114R42.8Very low43.1Very low195 Ų195135.8 Ų135.874%0.73674%0.74SS**SBendtrans-94.5-15-179.2-74.6-162.7154.7-159.5-6.1115.3S111 N116 A117S111-R114 PolarHBondContact O-N 3.44Å; R114-N116 VanDerWaalsContact C-N 3.29Å; R114-N116 PolarHBondContact O-N 3.35Å; R114-A117 PolarHBondContact O-N 3.15Å
115L44.4Very low42.7Very low108 Ų108141.9 Ų141.957%0.56575%0.75SS**G310 helixtrans-67.7-29174.4-96.7148.9000112.8L110 A117 L118L110-L115 HydrophobicContact CD2-CD1 4.34Å; L115-A117 PolarHBondContact O-N 3.36Å; L115-L118 PolarHBondContact O-N 3.09Å
116N44.9Very low42.1Very low139 Ų139138.3 Ų138.374%0.74375%0.747SS**G310 helixtrans-71.9-16.1-179.6-141.232.2000113.4R114R114-N116 VanDerWaalsContact C-N 3.29Å; R114-N116 PolarHBondContact O-N 3.35Å
117A46.4Very low41.6Very low80 Ų80138.9 Ų138.966%0.66175%0.751SS**G310 helixtrans-83.3-17.2177.900000113.4R114 L115R114-A117 PolarHBondContact O-N 3.15Å; L115-A117 PolarHBondContact O-N 3.36Å
118L48.7Very low40.7Very low155 Ų155135.5 Ų135.581%0.81275%0.749SS**THydrogen-bonded Turntrans-91.6-14.9177.5-82.2129.4000113.3L115L115-L118 PolarHBondContact O-N 3.09Å
119M46.8Very low40.3Very low173 Ų173132.3 Ų132.385%0.85275%0.751SS**SBendtrans-95.30.5-179.4-158.7171.1178.100113.3
120G48.3Very low39.9Very low43 Ų43131.8 Ų131.844%0.44375%0.748SS.*  trans-111.397.6170.900000110
121N35.4Very low39.5Very low167 Ų167136.9 Ų136.989%0.89376%0.757SS**  trans177.6123.2131.6-85.53000110.7
122N36.3Very low38.9Very low165 Ų165138.7 Ų138.788%0.88277%0.77SS**  trans-81.1171.3177.9-113.710.3000111.6
123P48.9Very low38.6Very low113 Ų113137.8 Ų137.873%0.73477%0.766SS**  -103.7157.1-128.838.9-36.9000114.2
124S31.4Very low38.5Very low81 Ų81131.9 Ų131.957%0.56676%0.757SS**  trans-159.4152.5151.7420000110
125Y30.7Very low38.4Very low221 Ų221130.2 Ų130.287%0.86776%0.763SS**  trans75.6119.1175.531.1-86.8000119.5
126S30.4Very low38.7Very low123 Ų123132.7 Ų132.786%0.8677%0.769SS**  trans-84.5170.2-169.7-44.90000114.9
127A29.9Very low38.7Very low98 Ų98132.1 Ų132.181%0.8177%0.771SS**  trans92.612616800000114.2
128S30.4Very low38.6Very low118 Ų118133.3 Ų133.383%0.82577%0.77SS**  cis-171.7155.68.943.20000108.1
129G30.7Very low38.1Very low77 Ų77132.4 Ų132.479%0.79476%0.764SS**  trans8484.1151.700000118.3R131G129-R131 PolarHBondContact O-N 2.87Å
130L33.3Very low37.8Very low161 Ų161129.5 Ų129.584%0.84376%0.756SS**  trans-15.6118.5149.4-145.676.2000116.4
131R33.5Very low37.5Very low248 Ų248135 Ų13594%0.93677%0.774SS**  trans-160.985.4135.6-105.7-170.3-76.5-108.97.6109.4G129 S133G129-R131 PolarHBondContact O-N 2.87Å; R131-S133 PolarHBondContact O-N 3.18Å
132S33.6Very low37.8Very low114 Ų114135 Ų13580%0.79777%0.77SS**  trans-60122.3172.1-57.70000111.5
133S37.9Very low38.2Very low88 Ų88135.6 Ų135.662%0.61577%0.768SS**  trans171.2123.9134.7-177.40000109.9R131R131-S133 PolarHBondContact O-N 3.18Å
134P43.1Very low37.7Very low103 Ų103135.6 Ų135.667%0.66977%0.768SS**  trans-112.8116.7141.529.9-17.4000107.6F136P134-F136 VanDerWaalsContact O-CD1 3.27Å; P134-F136 WeakPolarHBondContact O-CD1 3.45Å; P134-F136 PolarHBondContact O-N 3.12Å
135N41.3Very low38Very low159 Ų159137.2 Ų137.285%0.8578%0.777SS**  trans-55.8100.6166.8-71.1-67.1000109
136F49.8Very low38.4Very low160 Ų160132.9 Ų132.970%0.70278%0.776SS**  trans-111123.5166.460.6-99.8000108.7P134 V138P134-F136 VanDerWaalsContact O-CD1 3.27Å; P134-F136 WeakPolarHBondContact O-CD1 3.45Å; P134-F136 PolarHBondContact O-N 3.12Å; F136-V138 HydrophobicContact CD2-CG2 3.82Å; F136-V138 HydrophobicContact CE2-CG2 4.18Å
137V46.3Very low38.4Very low127 Ų127132.1 Ų132.177%0.7778%0.777SS**  trans-96.8107.2168.31770000106.2I139V137-I139 HydrophobicContact CG1-CD1 4.42Å; V137-I139 HydrophobicContact CG1-CG1 3.77Å; V137-I139 PolarHBondContact O-N 3.45Å
138V43.8Very low38.5Very low106 Ų106132 Ų13264%0.64278%0.776SS**  trans-80.5106.6168.9178.60000107.4F136 T140F136-V138 HydrophobicContact CD2-CG2 3.82Å; F136-V138 HydrophobicContact CE2-CG2 4.18Å; V138-T140 HydrophobicContact CG1-CG2 4.03Å; V138-T140 PolarHBondContact O-N 3.18Å
139I39.1Very low38.6Very low136 Ų136130.5 Ų130.570%0.69777%0.77SS**  trans-92.393.2168.9-51.7177.9000107.2V137 I141V137-I139 HydrophobicContact CG1-CD1 4.42Å; V137-I139 HydrophobicContact CG1-CG1 3.77Å; V137-I139 PolarHBondContact O-N 3.45Å; I139-I141 HydrophobicContact CG2-CG1 4.21Å; I139-I141 PolarHBondContact O-N 2.93Å
140T38.6Very low38.5Very low111 Ų111135.3 Ų135.368%0.68177%0.772SS**  trans-76.3105.8162.941.10000108.2V138 M142V138-T140 HydrophobicContact CG1-CG2 4.03Å; V138-T140 PolarHBondContact O-N 3.18Å; T140-M142 PolarHBondContact O-N 2.95Å; T140-M142 VanDerWaalsContact O-N 3.08Å
141I42.1Very low38Very low158 Ų158134.1 Ų134.181%0.8177%0.767SS**  trans-72.999.1167.7-56173.4000106.4I139 E143I139-I141 HydrophobicContact CG2-CG1 4.21Å; I139-I141 PolarHBondContact O-N 2.93Å; I141-E143 PolarHBondContact O-N 2.91Å
142M42.2Very low37.9Very low167 Ų167129.6 Ų129.682%0.82376%0.76SS**PPolyproline II helixtrans-71.9117.8164.4-86.8170.860.200108.1T140T140-M142 PolarHBondContact O-N 2.95Å; T140-M142 VanDerWaalsContact O-N 3.08Å
143E45.9Very low37.5Very low179 Ų179135.9 Ų135.984%0.83677%0.766SS**PPolyproline II helixtrans-71.9121165.9-170.1154.8101.400108.3I141I141-E143 PolarHBondContact O-N 2.91Å
144P37.8Very low37.1Very low113 Ų113139 Ų13973%0.73478%0.781SS**PPolyproline II helixtrans-72.7141.2-179.426.9-30.1000110.8
145P37.5Very low36.2Very low115 Ų115137.6 Ų137.675%0.74779%0.786SS**PPolyproline II helixtrans-74.7154.9-17230.1-33.3000112.4A147P145-A147 PolarHBondContact O-N 3.25Å
146P39.6Very low35.7Very low130 Ų130135.4 Ų135.484%0.84478%0.783SS**PPolyproline II helixtrans-79117.7178.931.8-30.4000109.8
147A30.2Very low34.5Very low107 Ų107132.7 Ų132.788%0.88478%0.782SS**PPolyproline II helixtrans-83.9117.2166.300000109.1P145P145-A147 PolarHBondContact O-N 3.25Å
148A32.3Very low33.5Very low96 Ų96137.3 Ų137.379%0.79379%0.786SS**PPolyproline II helixtrans-93.4147.9174.300000111.7
149A31Very low32.9Very low85 Ų85139 Ų13970%0.70279%0.791SS**  trans105.1139.4140.600000120.1
150Q29.2Very low32.3Very low178 Ų178139 Ų13983%0.83280%0.797SS**  trans88.5132.4164.1-55.3174.146.700115.2
151D23Very low32.2Very low137 Ų137141.3 Ų141.373%0.73380%0.8SS**  cis-164.3165.1-5.2-129.8-36.4000107.9
152L31.1Very low31.4Very low152 Ų152141.8 Ų141.880%0.79680%0.804SS**  trans-48.6141.9178.6-79.866000114
153R25.4Very low30.8Very low247 Ų247138.4 Ų138.493%0.93280%0.797SS**  -176.9139.2118.2-81.2-125.5174.9145.10.3113.5
154V29.3Very low30.1Very low152 Ų152135.2 Ų135.292%0.92180%0.795SS**  trans-51142.2171.6172.30000113
155G25.4Very low30.1Very low75 Ų75135.4 Ų135.477%0.77380%0.799SS**  trans168.6103.2165.300000114.6
156S29.5Very low30Very low113 Ų113134.9 Ų134.979%0.7980%0.798SS**  trans-70.1161.2170.8-167.10000112.6
157C25.1Very low29.8Very low102 Ų102135.4 Ų135.469%0.68979%0.794SS**  trans91.5106.5154.6-68.60000121.6
158R25.8Very low30.2Very low224 Ų224135.2 Ų135.285%0.84579%0.786SS**  71.9137.2121-68.9-170.5-168.7-151.92122.1
159L30.4Very low30.7Very low141 Ų141137.7 Ų137.774%0.73879%0.785SS**  trans81.699.8145-75.5150.1000118.7
160T27.6Very low31Very low136 Ų136136.2 Ų136.283%0.83477%0.773SS**  -16694.2122.843.70000105.4
161Q36.9Very low31.3Very low160 Ų160131.6 Ų131.675%0.74876%0.76SS**  35.689.297.6-165.5151.3-0.600112.6
162D24.7Very low32.4Very low168 Ų168128 Ų12890%0.89875%0.749SS**  trans-144.8130.9142-107.5-29.9000110.2
163S29.2Very low33.2Very low96 Ų96123.7 Ų123.767%0.67173%0.732SS**  trans-100.8131.2-165.5-51.70000109.3
164S30.1Very low33.8Very low113 Ų113118 Ų11879%0.7972%0.716SS**  trans174.1139.4130.955.50000113.2
165S37.9Very low34.7Very low117 Ų117118.5 Ų118.582%0.81870%0.701SS**  trans91.367.5172.979.30000117.6
166S36.3Very low35.5Very low103 Ų103122.4 Ų122.472%0.7269%0.693SS**  trans-107.634.1173.4-54.80000113.1
167D35.9Very low36.5Very low141 Ų141120.4 Ų120.475%0.75468%0.676SS**SBendtrans-110.10-171.4-63.9-31.8000115.4
168S38.8Very low38Very low104 Ų104119.5 Ų119.573%0.72767%0.667SS**SBendtrans-106.3-15.8179.3-68.70000115.6
169L43Very low39.4Very low148 Ų148114.1 Ų114.178%0.77565%0.647SS**Hα-helixtrans-95.2-22.1-175.5-60.6173.9000113.2S173L169-S173 PolarHBondContact O-N 3.41Å; L169-S173 VanDerWaalsContact O-N 3.14Å; L169-S173 PolarHBondContact O-OG 2.95Å
170A35.6Very low40.6Very low54 Ų54110.7 Ų110.745%0.44663%0.632SS.*Hα-helixtrans-70.6-35.1178.300000112.6S173 Q174A170-S173 PolarHBondContact O-N 2.91Å; A170-S173 PolarHBondContact O-OG 2.57Å; A170-S173 VanDerWaalsContact O-OG 3.06Å; A170-Q174 WeakPolarHBondContact O-CB 3.38Å; A170-Q174 VanDerWaalsContact O-CG 3.23Å; A170-Q174 WeakPolarHBondContact O-CG 3.12Å; A170-Q174 PolarHBondContact O-N 3.08Å
171S36.5Very low42Very low81 Ų81107.8 Ų107.857%0.56662%0.616SS**Hα-helixtrans-68.6-37.3178.3-35.70000111.8R175S171-R175 VanDerWaalsContact O-CB 3.24Å; S171-R175 WeakPolarHBondContact O-CB 3.28Å; S171-R175 PolarHBondContact O-N 2.68Å; S171-R175 VanDerWaalsContact O-N 3.15Å
172A45.8Very low43.2Very low61 Ų61103.7 Ų103.750%0.50460%0.602SS.*Hα-helixtrans-72-40.8176.800000111.5W176A172-W176 WeakPolarHBondContact O-CB 3.24Å; A172-W176 PolarHBondContact O-N 3Å
173S47.7Very low45.1Very low61 Ų6198.3 Ų98.343%0.42758%0.581SS.*Hα-helixtrans-70.2-40.5178.164.80000112.9L169 A170 W176 T177L169-S173 PolarHBondContact O-N 3.41Å; L169-S173 VanDerWaalsContact O-N 3.14Å; L169-S173 PolarHBondContact O-OG 2.95Å; A170-S173 PolarHBondContact O-N 2.91Å; A170-S173 PolarHBondContact O-OG 2.57Å; A170-S173 VanDerWaalsContact O-OG 3.06Å; S173-W176 PolarHBondContact O-N 2.78Å; S173-T177 WeakPolarHBondContact O-CG2 3.16Å; S173-T177 PolarHBondContact O-N 3.36Å; S173-T177 PolarHBondContact O-OG1 2.93Å
174Q38Very low46.7Very low127 Ų12797.8 Ų97.859%0.59357%0.57SS**Hα-helixtrans-65.1-40.4176.1-74.8-72.7-37.400111.8A170 W176 T177 V178A170-Q174 WeakPolarHBondContact O-CB 3.38Å; A170-Q174 VanDerWaalsContact O-CG 3.23Å; A170-Q174 WeakPolarHBondContact O-CG 3.12Å; A170-Q174 PolarHBondContact O-N 3.08Å; Q174-W176 VanDerWaalsContact C-N 3.31Å; Q174-W176 PolarHBondContact O-N 3.35Å; Q174-T177 WeakPolarHBondContact CA-OG1 3.44Å; Q174-T177 PolarHBondContact O-OG1 3.13Å; Q174-V178 WeakPolarHBondContact O-CB 3.18Å; Q174-V178 WeakPolarHBondContact O-CG2 3.37Å; Q174-V178 PolarHBondContact O-N 3.26Å
175R48Very low48.5Very low164 Ų16497.7 Ų97.762%0.61956%0.558SS**Hα-helixtrans-66.9-34.1175.9-168167.6174173.9-6.3111.7S171 W179 W248S171-R175 VanDerWaalsContact O-CB 3.24Å; S171-R175 WeakPolarHBondContact O-CB 3.28Å; S171-R175 PolarHBondContact O-N 2.68Å; S171-R175 VanDerWaalsContact O-N 3.15Å; R175-W179 WeakPolarHBondContact O-CB 3.3Å; R175-W179 PolarHBondContact O-N 3.2Å; R175-W248 VanDerWaalsContact NH2-CZ2 3.33Å
176W41.8Very low50Low157 Ų15793.6 Ų93.660%0.59553%0.529SS*.Hα-helixtrans-75.9-36.9178.6-149.667.7000113.2A172 S173 Q174 W179 T180A172-W176 WeakPolarHBondContact O-CB 3.24Å; A172-W176 PolarHBondContact O-N 3Å; S173-W176 PolarHBondContact O-N 2.78Å; Q174-W176 VanDerWaalsContact C-N 3.31Å; Q174-W176 PolarHBondContact O-N 3.35Å; W176-W179 PolarHBondContact O-N 2.82Å; W176-T180 PolarHBondContact O-N 3.42Å; W176-T180 PolarHBondContact O-OG1 3.45Å
177T51.9Low51.8Low70 Ų7092.3 Ų92.343%0.42951%0.512SS..Hα-helixtrans-70.7-42.5175530000111.8S173 Q174 W179 T180 C181S173-T177 WeakPolarHBondContact O-CG2 3.16Å; S173-T177 PolarHBondContact O-N 3.36Å; S173-T177 PolarHBondContact O-OG1 2.93Å; Q174-T177 WeakPolarHBondContact CA-OG1 3.44Å; Q174-T177 PolarHBondContact O-OG1 3.13Å; T177-W179 VanDerWaalsContact C-N 3.28Å; T177-W179 PolarHBondContact O-N 3.03Å; T177-T180 PolarHBondContact O-N 3.37Å; T177-C181 WeakPolarHBondContact O-CB 3.28Å; T177-C181 PolarHBondContact O-N 3.14Å
178V55.3Low53.6Low84 Ų8488.3 Ų88.351%0.50949%0.493SS..Hα-helixtrans-62.5-36.4172.7173.90000110.9Q174 T182Q174-V178 WeakPolarHBondContact O-CB 3.18Å; Q174-V178 WeakPolarHBondContact O-CG2 3.37Å; Q174-V178 PolarHBondContact O-N 3.26Å; V178-T182 HydrophobicContact CG1-CG2 4.31Å; V178-T182 WeakPolarHBondContact O-CB 3.33Å; V178-T182 VanDerWaalsContact O-CG2 3.3Å; V178-T182 WeakPolarHBondContact O-CG2 3.15Å; V178-T182 PolarHBondContact O-N 3.41Å; V178-T182 PolarHBondContact O-OG1 3.48Å
179W55Low55.4Low111 Ų11185.3 Ų85.342%0.4247%0.472SS..Hα-helixtrans-70.1-39.4176.9-161.850000113.3R175 W176 T177 T182 A183 Y245R175-W179 WeakPolarHBondContact O-CB 3.3Å; R175-W179 PolarHBondContact O-N 3.2Å; W176-W179 PolarHBondContact O-N 2.82Å; T177-W179 VanDerWaalsContact C-N 3.28Å; T177-W179 PolarHBondContact O-N 3.03Å; W179-T182 VanDerWaalsContact CA-OG1 3.3Å; W179-T182 WeakPolarHBondContact CA-OG1 3.37Å; W179-T182 PolarHBondContact O-N 3.42Å; W179-T182 PolarHBondContact O-OG1 3.24Å; W179-T182 VanDerWaalsContact O-OG1 3.13Å; W179-A183 WeakPolarHBondContact O-CB 3.21Å; W179-A183 PolarHBondContact O-N 2.89Å; W179-Y245 HydrophobicContact CH2-CE2 4.05Å; W179-Y245 HydrophobicContact CZ2-CD2 4.19Å; W179-Y245 AromaticContact CZ2-CE2 3.8Å; W179-Y245 HydrophobicContact CZ2-CE2 3.8Å
180T57Low57Low68 Ų6880.3 Ų80.342%0.41745%0.452SS..Hα-helixtrans-67.9-41.2175.6-48.40000110.5W176 T177 L184W176-T180 PolarHBondContact O-N 3.42Å; W176-T180 PolarHBondContact O-OG1 3.45Å; T177-T180 PolarHBondContact O-N 3.37Å; T180-L184 WeakPolarHBondContact O-CB 3.39Å; T180-L184 PolarHBondContact O-N 2.81Å
181C56Low59.2Low76 Ų7684.2 Ų84.251%0.51446%0.455SS..Hα-helixtrans-64.4-44.9173.3-81.30000112.5T177 L184 M185T177-C181 WeakPolarHBondContact O-CB 3.28Å; T177-C181 PolarHBondContact O-N 3.14Å; C181-L184 PolarHBondContact O-N 2.97Å; C181-M185 VanDerWaalsContact O-CB 3.29Å; C181-M185 WeakPolarHBondContact O-CB 3.37Å; C181-M185 WeakPolarHBondContact O-CG 2.97Å; C181-M185 PolarHBondContact O-N 3.27Å
182T62.6Low61.5Low74 Ų7484.5 Ų84.545%0.45445%0.453SS..Hα-helixtrans-69.2-37.9179.745.80000112.2V178 W179 M185 C186V178-T182 HydrophobicContact CG1-CG2 4.31Å; V178-T182 WeakPolarHBondContact O-CB 3.33Å; V178-T182 VanDerWaalsContact O-CG2 3.3Å; V178-T182 WeakPolarHBondContact O-CG2 3.15Å; V178-T182 PolarHBondContact O-N 3.41Å; V178-T182 PolarHBondContact O-OG1 3.48Å; W179-T182 VanDerWaalsContact CA-OG1 3.3Å; W179-T182 WeakPolarHBondContact CA-OG1 3.37Å; W179-T182 PolarHBondContact O-N 3.42Å; W179-T182 PolarHBondContact O-OG1 3.24Å; W179-T182 VanDerWaalsContact O-OG1 3.13Å; T182-M185 PolarHBondContact O-N 2.98Å; T182-C186 WeakPolarHBondContact O-CB 2.94Å; T182-C186 PolarHBondContact O-N 3.35Å
183A63.8Low63.3Low54 Ų5485.5 Ų85.545%0.44645%0.45SS..Hα-helixtrans-65.5-40.3172.700000111.9W179 C186 Q187W179-A183 WeakPolarHBondContact O-CB 3.21Å; W179-A183 PolarHBondContact O-N 2.89Å; A183-C186 WeakPolarHBondContact O-CB 3.18Å; A183-C186 PolarHBondContact O-N 3.04Å; A183-Q187 WeakPolarHBondContact O-CB 3.16Å; A183-Q187 PolarHBondContact O-N 3.31Å
184L64.6Low65.1Low85 Ų8587 Ų8745%0.44546%0.456SS..Hα-helixtrans-65.6-45.1174.6-172.866.4000111.3T180 C181 C186 Q187 T188T180-L184 WeakPolarHBondContact O-CB 3.39Å; T180-L184 PolarHBondContact O-N 2.81Å; C181-L184 PolarHBondContact O-N 2.97Å; L184-C186 VanDerWaalsContact C-N 3.28Å; L184-C186 PolarHBondContact O-N 3.28Å; L184-Q187 PolarHBondContact O-N 2.93Å; L184-T188 WeakPolarHBondContact O-CG2 3.4Å; L184-T188 PolarHBondContact O-N 2.93Å; L184-T188 PolarHBondContact O-OG1 3.46Å; L184-T188 VanDerWaalsContact O-OG1 3.1Å
185M66.2Low67.5Low111 Ų11190.2 Ų90.255%0.54746%0.463SS..Hα-helixtrans-64.5-32.6175.4-71.2-55.898.500112.4C181 T182 T188 S189C181-M185 VanDerWaalsContact O-CB 3.29Å; C181-M185 WeakPolarHBondContact O-CB 3.37Å; C181-M185 WeakPolarHBondContact O-CG 2.97Å; C181-M185 PolarHBondContact O-N 3.27Å; T182-M185 PolarHBondContact O-N 2.98Å; M185-T188 VanDerWaalsContact CA-OG1 3.28Å; M185-T188 WeakPolarHBondContact CA-OG1 3.38Å; M185-T188 PolarHBondContact O-OG1 2.9Å; M185-S189 WeakPolarHBondContact O-CB 3.38Å; M185-S189 PolarHBondContact O-N 3.34Å; M185-S189 PolarHBondContact O-OG 2.94Å
186C70.1Confident69.3Low31 Ų3186 Ų8621%0.20946%0.455CS..Hα-helixtrans-71.8-39.4174.4-178.60000111.9T182 A183 L184 S189 A190 Q241T182-C186 WeakPolarHBondContact O-CB 2.94Å; T182-C186 PolarHBondContact O-N 3.35Å; A183-C186 WeakPolarHBondContact O-CB 3.18Å; A183-C186 PolarHBondContact O-N 3.04Å; L184-C186 VanDerWaalsContact C-N 3.28Å; L184-C186 PolarHBondContact O-N 3.28Å; C186-S189 WeakPolarHBondContact CA-OG 3.29Å; C186-S189 PolarHBondContact O-OG 2.81Å; C186-A190 VanDerWaalsContact O-CB 3.3Å; C186-A190 WeakPolarHBondContact O-CB 3.1Å; C186-A190 PolarHBondContact O-N 3.04Å; C186-Q241 PolarHBondContact SG-NE2 2.86Å; C186-Q241 PolarHBondContact SG-OE1 3.49Å; C186-Q241 VanDerWaalsContact SG-OE1 3.35Å
187Q73.8Confident71.4Confident77 Ų7780.4 Ų80.436%0.3644%0.437SS..Hα-helixtrans-70.2-39.2176.5-175.6176.4-11.100111.4A183 L184 R191A183-Q187 WeakPolarHBondContact O-CB 3.16Å; A183-Q187 PolarHBondContact O-N 3.31Å; L184-Q187 PolarHBondContact O-N 2.93Å; Q187-R191 WeakPolarHBondContact O-CG 3.25Å; Q187-R191 PolarHBondContact O-N 3.37Å; Q187-R191 VanDerWaalsContact O-N 3.13Å
188T73.6Confident73Confident56 Ų5679 Ų7934%0.34444%0.436SS..Hα-helixtrans-69.7-41.2173.956.80000111.1L184 M185 A190 R191 V192L184-T188 WeakPolarHBondContact O-CG2 3.4Å; L184-T188 PolarHBondContact O-N 2.93Å; L184-T188 PolarHBondContact O-OG1 3.46Å; L184-T188 VanDerWaalsContact O-OG1 3.1Å; M185-T188 VanDerWaalsContact CA-OG1 3.28Å; M185-T188 WeakPolarHBondContact CA-OG1 3.38Å; M185-T188 PolarHBondContact O-OG1 2.9Å; T188-A190 PolarHBondContact O-N 3.26Å; T188-R191 PolarHBondContact O-N 3.45Å; T188-V192 WeakPolarHBondContact O-CB 3.22Å; T188-V192 VanDerWaalsContact O-CG2 3.27Å; T188-V192 WeakPolarHBondContact O-CG2 3.31Å; T188-V192 PolarHBondContact O-N 3.5Å
189S76.2Confident74.4Confident41 Ų4180.2 Ų80.229%0.28744%0.439SS..Hα-helixtrans-63.7-41.2176.572.40000111.6M185 C186 R191 V192 L193M185-S189 WeakPolarHBondContact O-CB 3.38Å; M185-S189 PolarHBondContact O-N 3.34Å; M185-S189 PolarHBondContact O-OG 2.94Å; C186-S189 WeakPolarHBondContact CA-OG 3.29Å; C186-S189 PolarHBondContact O-OG 2.81Å; S189-R191 PolarHBondContact O-N 2.84Å; S189-V192 PolarHBondContact O-N 2.95Å; S189-L193 VanDerWaalsContact O-CB 3.24Å; S189-L193 WeakPolarHBondContact O-CB 3.39Å; S189-L193 WeakPolarHBondContact O-CG 3.49Å; S189-L193 PolarHBondContact O-N 2.8Å
190A78.6Confident75.8Confident44 Ų4478.4 Ų78.436%0.36444%0.437SS..Hα-helixtrans-60.7-44.1174.200000111.6C186 T188 L193 V194C186-A190 VanDerWaalsContact O-CB 3.3Å; C186-A190 WeakPolarHBondContact O-CB 3.1Å; C186-A190 PolarHBondContact O-N 3.04Å; T188-A190 PolarHBondContact O-N 3.26Å; A190-L193 PolarHBondContact O-N 3.13Å; A190-V194 VanDerWaalsContact O-CG2 3.27Å; A190-V194 WeakPolarHBondContact O-CG2 3.43Å; A190-V194 PolarHBondContact O-N 2.98Å
191R81.5Confident77.2Confident136 Ų13680.7 Ų80.751%0.51344%0.439SS..Hα-helixtrans-62.7-47.8175.4-75.6-178.3177.91770111.9Q187 T188 S189 L193 V194 W195Q187-R191 WeakPolarHBondContact O-CG 3.25Å; Q187-R191 PolarHBondContact O-N 3.37Å; Q187-R191 VanDerWaalsContact O-N 3.13Å; T188-R191 PolarHBondContact O-N 3.45Å; S189-R191 PolarHBondContact O-N 2.84Å; R191-L193 VanDerWaalsContact C-N 3.34Å; R191-L193 PolarHBondContact O-N 3.04Å; R191-V194 PolarHBondContact O-N 3.31Å; R191-W195 PolarHBondContact O-N 2.94Å
192V84.6Confident78.5Confident87 Ų8784.9 Ų84.953%0.52745%0.449SS..Hα-helixtrans-62.3-42.3178.6171.30000110.8T188 S189 V194 W195 V196T188-V192 WeakPolarHBondContact O-CB 3.22Å; T188-V192 VanDerWaalsContact O-CG2 3.27Å; T188-V192 WeakPolarHBondContact O-CG2 3.31Å; T188-V192 PolarHBondContact O-N 3.5Å; S189-V192 PolarHBondContact O-N 2.95Å; V192-V194 VanDerWaalsContact C-N 3.33Å; V192-V194 PolarHBondContact O-N 3.42Å; V192-W195 WeakPolarHBondContact O-CB 3.35Å; V192-W195 PolarHBondContact O-N 3.35Å; V192-V196 HydrophobicContact CG1-CG2 4.21Å; V192-V196 VanDerWaalsContact O-CG2 3.31Å; V192-V196 WeakPolarHBondContact O-CG2 3.26Å; V192-V196 PolarHBondContact O-N 2.73Å
193L82.7Confident79.6Confident82 Ų8284.5 Ų84.543%0.42945%0.449SS..Hα-helixtrans-61.1-41.3176-75.7170.3000111.5S189 A190 R191 V196 L197S189-L193 VanDerWaalsContact O-CB 3.24Å; S189-L193 WeakPolarHBondContact O-CB 3.39Å; S189-L193 WeakPolarHBondContact O-CG 3.49Å; S189-L193 PolarHBondContact O-N 2.8Å; A190-L193 PolarHBondContact O-N 3.13Å; R191-L193 VanDerWaalsContact C-N 3.34Å; R191-L193 PolarHBondContact O-N 3.04Å; L193-V196 PolarHBondContact O-N 2.84Å; L193-L197 WeakPolarHBondContact O-CB 3.47Å; L193-L197 PolarHBondContact O-N 2.9Å
194V85.2Confident80.5Confident93 Ų9382.6 Ų82.656%0.56443%0.433SS*.Hα-helixtrans-62.7-42.8174.6170.50000111.4A190 R191 V192 L197 G198A190-V194 VanDerWaalsContact O-CG2 3.27Å; A190-V194 WeakPolarHBondContact O-CG2 3.43Å; A190-V194 PolarHBondContact O-N 2.98Å; R191-V194 PolarHBondContact O-N 3.31Å; V192-V194 VanDerWaalsContact C-N 3.33Å; V192-V194 PolarHBondContact O-N 3.42Å; V194-L197 PolarHBondContact O-N 2.73Å; V194-G198 PolarHBondContact O-N 2.76Å
195W88.1Confident81.4Confident193 Ų19381.5 Ų81.573%0.73143%0.427SS*.Hα-helixtrans-62.7-46.6175-82.2105.4000112.3R191 V192 G198 L199R191-W195 PolarHBondContact O-N 2.94Å; V192-W195 WeakPolarHBondContact O-CB 3.35Å; V192-W195 PolarHBondContact O-N 3.35Å; W195-G198 PolarHBondContact O-N 2.92Å; W195-L199 WeakPolarHBondContact O-CG 3.38Å; W195-L199 PolarHBondContact O-N 3.21Å
196V87Confident82.4Confident75 Ų7579.9 Ų79.946%0.45543%0.425SS..Hα-helixtrans-63.5-42.2177.5172.20000110.8V192 L193 G198 L199 L200V192-V196 HydrophobicContact CG1-CG2 4.21Å; V192-V196 VanDerWaalsContact O-CG2 3.31Å; V192-V196 WeakPolarHBondContact O-CG2 3.26Å; V192-V196 PolarHBondContact O-N 2.73Å; L193-V196 PolarHBondContact O-N 2.84Å; V196-G198 VanDerWaalsContact C-N 3.34Å; V196-G198 PolarHBondContact O-N 3.41Å; V196-L199 PolarHBondContact O-N 3.18Å; V196-L200 VanDerWaalsContact O-CB 3.22Å; V196-L200 WeakPolarHBondContact O-CB 3.5Å; V196-L200 PolarHBondContact O-N 2.86Å
197L85.4Confident83.1Confident41 Ų4184 Ų8422%0.21544%0.442CS..Hα-helixtrans-62.5-42.2175.2-128.883.9000111.5L193 V194 L200 Y201 L231 I234L193-L197 WeakPolarHBondContact O-CB 3.47Å; L193-L197 PolarHBondContact O-N 2.9Å; V194-L197 PolarHBondContact O-N 2.73Å; L197-L200 PolarHBondContact O-N 3.16Å; L197-Y201 WeakPolarHBondContact O-CB 3.3Å; L197-Y201 PolarHBondContact O-N 3.2Å; L197-L231 HydrophobicContact CD2-CD2 3.79Å; L197-L231 HydrophobicContact CD2-CG 4.35Å; L197-I234 HydrophobicContact CD1-CD1 3.64Å; L197-I234 HydrophobicContact CD2-CD1 3.42Å; L197-I234 VanDerWaalsContact CD2-CD1 3.42Å; L197-I234 HydrophobicContact CG-CD1 4.08Å
198G85.7Confident83.7Confident39 Ų3980.3 Ų80.340%0.40243%0.425SS..Hα-helixtrans-62.4-44.1177.800000112V194 W195 V196 Y201 F202V194-G198 PolarHBondContact O-N 2.76Å; W195-G198 PolarHBondContact O-N 2.92Å; V196-G198 VanDerWaalsContact C-N 3.34Å; V196-G198 PolarHBondContact O-N 3.41Å; G198-Y201 PolarHBondContact O-N 2.92Å; G198-F202 WeakPolarHBondContact O-CB 3.43Å; G198-F202 PolarHBondContact O-N 2.89Å
199L84.9Confident84.4Confident110 Ų11084.1 Ų84.158%0.57644%0.437SS*.Hα-helixtrans-65.9-43.2175.5-70.6172.4000112.1W195 V196 F202 S203W195-L199 WeakPolarHBondContact O-CG 3.38Å; W195-L199 PolarHBondContact O-N 3.21Å; V196-L199 PolarHBondContact O-N 3.18Å; L199-F202 PolarHBondContact O-N 3.13Å; L199-S203 WeakPolarHBondContact O-CB 3.35Å; L199-S203 PolarHBondContact O-N 3.47Å; L199-S203 PolarHBondContact O-OG 2.99Å
200L84.9Confident85Confident73 Ų7388.3 Ų88.338%0.38245%0.447SS..Hα-helixtrans-65.7-42177.8-165.6147.1000110.3V196 L197 S203 S204 L226V196-L200 VanDerWaalsContact O-CB 3.22Å; V196-L200 WeakPolarHBondContact O-CB 3.5Å; V196-L200 PolarHBondContact O-N 2.86Å; L197-L200 PolarHBondContact O-N 3.16Å; L200-S203 PolarHBondContact O-N 2.91Å; L200-S204 WeakPolarHBondContact CD2-OG 3.3Å; L200-S204 WeakPolarHBondContact O-CA 3.43Å; L200-S204 WeakPolarHBondContact O-CB 3.47Å; L200-S204 PolarHBondContact O-N 3.04Å; L200-S204 PolarHBondContact O-OG 2.81Å; L200-L226 HydrophobicContact CD2-CD2 4.01Å
201Y84.9Confident85.4Confident117 Ų11788 Ų8846%0.45944%0.44SS..Hα-helixtrans-59.6-49.2173.5176.1-102.6000112.1L197 G198 S203 S204 L205 V227L197-Y201 WeakPolarHBondContact O-CB 3.3Å; L197-Y201 PolarHBondContact O-N 3.2Å; G198-Y201 PolarHBondContact O-N 2.92Å; Y201-S203 PolarHBondContact O-N 3.28Å; Y201-S204 PolarHBondContact O-N 3.2Å; Y201-L205 HydrophobicContact CD1-CD1 4.18Å; Y201-L205 HydrophobicContact CD2-CD1 3.99Å; Y201-L205 HydrophobicContact CD2-CD2 4.5Å; Y201-L205 HydrophobicContact CD2-CG 3.99Å; Y201-L205 HydrophobicContact CE1-CD1 3.59Å; Y201-L205 HydrophobicContact CE2-CD1 3.37Å; Y201-L205 HydrophobicContact CE2-CD2 4.08Å; Y201-L205 HydrophobicContact CE2-CG 3.76Å; Y201-L205 HydrophobicContact CG-CD1 4.37Å; Y201-L205 HydrophobicContact CG-CG 4.49Å; Y201-L205 WeakPolarHBondContact O-CG 3.25Å; Y201-L205 PolarHBondContact O-N 3.24Å; Y201-L205 VanDerWaalsContact O-N 3.07Å; Y201-L205 WeakPolarHBondContact OH-CD1 3.38Å; Y201-V227 HydrophobicContact CD2-CB 4.37Å; Y201-V227 HydrophobicContact CD2-CG1 3.57Å; Y201-V227 HydrophobicContact CD2-CG2 3.84Å; Y201-V227 HydrophobicContact CE2-CG1 3.73Å; Y201-V227 HydrophobicContact CE2-CG2 4.39Å
202F85.3Confident85.6Confident163 Ų16384.7 Ų84.772%0.71543%0.432SS*.Hα-helixtrans-61.2-30.2178.2-171.6-99.4000112.4G198 L199 P206G198-F202 WeakPolarHBondContact O-CB 3.43Å; G198-F202 PolarHBondContact O-N 2.89Å; L199-F202 PolarHBondContact O-N 3.13Å; F202-P206 WeakPolarHBondContact O-CD 3.08Å; F202-P206 WeakPolarHBondContact O-CG 3.19Å
203S84Confident85.8Confident67 Ų6785.9 Ų85.947%0.46943%0.434SS..Hα-helixtrans-88.1-37.6179.9-52.60000112.9L199 L200 Y201 M207L199-S203 WeakPolarHBondContact O-CB 3.35Å; L199-S203 PolarHBondContact O-N 3.47Å; L199-S203 PolarHBondContact O-OG 2.99Å; L200-S203 PolarHBondContact O-N 2.91Å; Y201-S203 PolarHBondContact O-N 3.28Å; S203-M207 WeakPolarHBondContact O-CB 3.4Å; S203-M207 WeakPolarHBondContact O-CG 3.43Å; S203-M207 PolarHBondContact O-N 3.13Å
204S84.4Confident86.1Confident14 Ų1487.5 Ų87.510%0.09844%0.441CS..Hα-helixtrans-80.9-29.1-174-65.80000113.4L200 Y201 G208L200-S204 WeakPolarHBondContact CD2-OG 3.3Å; L200-S204 WeakPolarHBondContact O-CA 3.43Å; L200-S204 WeakPolarHBondContact O-CB 3.47Å; L200-S204 PolarHBondContact O-N 3.04Å; L200-S204 PolarHBondContact O-OG 2.81Å; Y201-S204 PolarHBondContact O-N 3.2Å; S204-G208 WeakPolarHBondContact O-CA 3.21Å; S204-G208 PolarHBondContact O-N 3.39Å
205L83.1Confident86.1Confident62 Ų6291.4 Ų91.433%0.32545%0.453SS..Hα-helixtrans-64.4-53.7173.9-75.3-172.3000113.6Y201 G208 F209Y201-L205 HydrophobicContact CD1-CD1 4.18Å; Y201-L205 HydrophobicContact CD2-CD1 3.99Å; Y201-L205 HydrophobicContact CD2-CD2 4.5Å; Y201-L205 HydrophobicContact CD2-CG 3.99Å; Y201-L205 HydrophobicContact CE1-CD1 3.59Å; Y201-L205 HydrophobicContact CE2-CD1 3.37Å; Y201-L205 HydrophobicContact CE2-CD2 4.08Å; Y201-L205 HydrophobicContact CE2-CG 3.76Å; Y201-L205 HydrophobicContact CG-CD1 4.37Å; Y201-L205 HydrophobicContact CG-CG 4.49Å; Y201-L205 WeakPolarHBondContact O-CG 3.25Å; Y201-L205 PolarHBondContact O-N 3.24Å; Y201-L205 VanDerWaalsContact O-N 3.07Å; Y201-L205 WeakPolarHBondContact OH-CD1 3.38Å; L205-G208 PolarHBondContact O-N 3.27Å; L205-F209 WeakPolarHBondContact O-CB 3.36Å; L205-F209 PolarHBondContact O-N 3.47Å
206P86.9Confident86Confident77 Ų7790.2 Ų90.250%0.545%0.448SS..Hα-helixtrans-66-39.1178.622.8-31.1000111.6F202 Y210F202-P206 WeakPolarHBondContact O-CD 3.08Å; F202-P206 WeakPolarHBondContact O-CG 3.19Å; P206-Y210 WeakPolarHBondContact O-CB 3.29Å; P206-Y210 PolarHBondContact O-N 2.98Å
207M85.1Confident85.9Confident117 Ų11790.4 Ų90.458%0.57645%0.45SS*.Hα-helixtrans-67.1-41.2175.1-80.4-64.7-158.300112.9S203 Y210 L211S203-M207 WeakPolarHBondContact O-CB 3.4Å; S203-M207 WeakPolarHBondContact O-CG 3.43Å; S203-M207 PolarHBondContact O-N 3.13Å; M207-Y210 PolarHBondContact O-N 3.39Å; M207-L211 WeakPolarHBondContact O-CB 3.27Å; M207-L211 VanDerWaalsContact O-CG 3.24Å; M207-L211 WeakPolarHBondContact O-CG 3.24Å; M207-L211 PolarHBondContact O-N 3.26Å
208G85.8Confident86Confident0 Ų093.3 Ų93.30%047%0.469CS..Hα-helixtrans-63.2-47.9177.400000111.3S204 L205 L211 L212S204-G208 WeakPolarHBondContact O-CA 3.21Å; S204-G208 PolarHBondContact O-N 3.39Å; L205-G208 PolarHBondContact O-N 3.27Å; G208-L211 PolarHBondContact O-N 2.91Å; G208-L212 WeakPolarHBondContact O-CG 3.24Å; G208-L212 PolarHBondContact O-N 2.96Å
209F87.4Confident86.1Confident135 Ų13594.3 Ų94.359%0.59247%0.468SS*.Hα-helixtrans-63.5-41.7175.4-173.5-106.2000112.4L205 L211 L212 I213L205-F209 WeakPolarHBondContact O-CB 3.36Å; L205-F209 PolarHBondContact O-N 3.47Å; F209-L211 VanDerWaalsContact C-N 3.33Å; F209-L211 PolarHBondContact O-N 3.47Å; F209-L212 WeakPolarHBondContact O-CB 3.3Å; F209-L212 PolarHBondContact O-N 2.86Å; F209-I213 HydrophobicContact CD1-CD1 3.63Å; F209-I213 HydrophobicContact CE1-CD1 3.32Å; F209-I213 HydrophobicContact CE1-CG1 4.27Å; F209-I213 HydrophobicContact CG-CD1 4.47Å; F209-I213 HydrophobicContact CZ-CD1 3.91Å; F209-I213 HydrophobicContact CZ-CG1 4.47Å; F209-I213 WeakPolarHBondContact O-CG1 3.39Å; F209-I213 PolarHBondContact O-N 3.17Å
210Y88.9Confident86.1Confident129 Ų12989.1 Ų89.151%0.50644%0.44SS..Hα-helixtrans-60.1-41175.1-179.8-98.7000112.4P206 M207 I213 M214P206-Y210 WeakPolarHBondContact O-CB 3.29Å; P206-Y210 PolarHBondContact O-N 2.98Å; M207-Y210 PolarHBondContact O-N 3.39Å; Y210-I213 WeakPolarHBondContact O-CB 3.15Å; Y210-I213 PolarHBondContact O-N 3.47Å; Y210-M214 HydrophobicContact CD1-CG 4.41Å; Y210-M214 HydrophobicContact CE1-CG 3.99Å; Y210-M214 HydrophobicContact CE2-CG 4.47Å; Y210-M214 WeakPolarHBondContact O-CG 3.5Å; Y210-M214 PolarHBondContact O-N 3.16Å
211L87.6Confident86.3Confident38 Ų3889.4 Ų89.420%0.19945%0.445CS..Hα-helixtrans-72.2-30.1177.3-70.9170.8000113.2M207 G208 F209 I213 M214 Q215 R216 V219 L223M207-L211 WeakPolarHBondContact O-CB 3.27Å; M207-L211 VanDerWaalsContact O-CG 3.24Å; M207-L211 WeakPolarHBondContact O-CG 3.24Å; M207-L211 PolarHBondContact O-N 3.26Å; G208-L211 PolarHBondContact O-N 2.91Å; F209-L211 VanDerWaalsContact C-N 3.33Å; F209-L211 PolarHBondContact O-N 3.47Å; L211-I213 VanDerWaalsContact C-N 3.33Å; L211-M214 CarbonylContact O-C 3.59Å; L211-M214 PolarHBondContact O-N 3.03Å; L211-Q215 PolarHBondContact O-N 2.95Å; L211-R216 CarbonylContact O-C 3.56Å; L211-R216 PolarHBondContact O-N 3.3Å; L211-R216 VanDerWaalsContact O-N 3.08Å; L211-V219 HydrophobicContact CD1-CB 4.4Å; L211-V219 HydrophobicContact CD1-CG1 3.85Å; L211-L223 HydrophobicContact CD1-CD1 3.72Å
212L86Confident86.3Confident66 Ų6689.8 Ų89.835%0.34645%0.454SS..Hα-helixtrans-64-40.1169.6-70.3174.1000111.3G208 F209 Q215 V221 V224G208-L212 WeakPolarHBondContact O-CG 3.24Å; G208-L212 PolarHBondContact O-N 2.96Å; F209-L212 WeakPolarHBondContact O-CB 3.3Å; F209-L212 PolarHBondContact O-N 2.86Å; L212-Q215 PolarHBondContact O-N 3.3Å; L212-V221 HydrophobicContact CD2-CG2 4.15Å; L212-V224 HydrophobicContact CD1-CG2 4.41Å
213I88.6Confident86.3Confident113 Ų11384 Ų8458%0.57943%0.431SS*.Hα-helixtrans-66.3-41.1174.8-68.1165.4000111F209 Y210 L211 Q215F209-I213 HydrophobicContact CD1-CD1 3.63Å; F209-I213 HydrophobicContact CE1-CD1 3.32Å; F209-I213 HydrophobicContact CE1-CG1 4.27Å; F209-I213 HydrophobicContact CG-CD1 4.47Å; F209-I213 HydrophobicContact CZ-CD1 3.91Å; F209-I213 HydrophobicContact CZ-CG1 4.47Å; F209-I213 WeakPolarHBondContact O-CG1 3.39Å; F209-I213 PolarHBondContact O-N 3.17Å; Y210-I213 WeakPolarHBondContact O-CB 3.15Å; Y210-I213 PolarHBondContact O-N 3.47Å; L211-I213 VanDerWaalsContact C-N 3.33Å; I213-Q215 PolarHBondContact O-N 2.89Å; I213-Q215 VanDerWaalsContact O-N 3.07Å
214M89.2Confident86.3Confident115 Ų11583.8 Ų83.857%0.56743%0.426SS*.THydrogen-bonded Turntrans-79.423.1179.4-70.9-72-90.100114Y210 L211 R216Y210-M214 HydrophobicContact CD1-CG 4.41Å; Y210-M214 HydrophobicContact CE1-CG 3.99Å; Y210-M214 HydrophobicContact CE2-CG 4.47Å; Y210-M214 WeakPolarHBondContact O-CG 3.5Å; Y210-M214 PolarHBondContact O-N 3.16Å; L211-M214 CarbonylContact O-C 3.59Å; L211-M214 PolarHBondContact O-N 3.03Å; M214-R216 PolarHBondContact O-N 3.42Å
215Q86.1Confident86.3Confident175 Ų17585.9 Ų85.982%0.81844%0.441SS*.THydrogen-bonded Turntrans60.911.9173-136.7170.71100115.4L211 L212 I213 T217L211-Q215 PolarHBondContact O-N 2.95Å; L212-Q215 PolarHBondContact O-N 3.3Å; I213-Q215 PolarHBondContact O-N 2.89Å; I213-Q215 VanDerWaalsContact O-N 3.07Å; Q215-T217 PolarHBondContact O-N 3.05Å
216R85.6Confident86.3Confident168 Ų16886.8 Ų86.863%0.63445%0.445SS*.  trans-94.365.9170.2-82.2-158.5176.4173.81.1110.6L211 M214 T218 V219 G220L211-R216 CarbonylContact O-C 3.56Å; L211-R216 PolarHBondContact O-N 3.3Å; L211-R216 VanDerWaalsContact O-N 3.08Å; M214-R216 PolarHBondContact O-N 3.42Å; R216-T218 VanDerWaalsContact C-N 3.31Å; R216-T218 PolarHBondContact O-N 3.07Å; R216-V219 PolarHBondContact O-N 3.46Å; R216-G220 PolarHBondContact O-N 3.06Å; R216-G220 VanDerWaalsContact O-N 3.13Å
217T84.2Confident86Confident80 Ų8084.1 Ų84.149%0.49143%0.428SS..Hα-helixtrans-60.9-35.2-173.254.60000113.6Q215 G220 V221Q215-T217 PolarHBondContact O-N 3.05Å; T217-G220 PolarHBondContact O-N 3.44Å; T217-V221 WeakPolarHBondContact O-CB 3.43Å; T217-V221 WeakPolarHBondContact O-CG2 3.43Å; T217-V221 PolarHBondContact O-N 3.27Å
218T87.3Confident86Confident101 Ų10182 Ų8262%0.6242%0.423SS*.Hα-helixtrans-63.1-47.8-179.552.60000112.7R216 L222R216-T218 VanDerWaalsContact C-N 3.31Å; R216-T218 PolarHBondContact O-N 3.07Å; T218-L222 VanDerWaalsContact O-CG 3.27Å; T218-L222 WeakPolarHBondContact O-CG 3.29Å; T218-L222 PolarHBondContact O-N 2.78Å; T218-L222 VanDerWaalsContact O-N 3.11Å
219V87.1Confident86Confident61 Ų6184.4 Ų84.437%0.3744%0.443SS..Hα-helixtrans-71.6-38179.2-1730000110.9L211 R216 L222 L223L211-V219 HydrophobicContact CD1-CB 4.4Å; L211-V219 HydrophobicContact CD1-CG1 3.85Å; R216-V219 PolarHBondContact O-N 3.46Å; V219-L222 PolarHBondContact O-N 3.27Å; V219-L223 HydrophobicContact CG1-CD1 4.23Å; V219-L223 WeakPolarHBondContact O-CG 3.49Å; V219-L223 PolarHBondContact O-N 3.44Å
220G86.9Confident85.9Confident0 Ų079.1 Ų79.10%042%0.423CS..Hα-helixtrans-60.5-48.3174.800000112.5R216 T217 L222 L223 V224R216-G220 PolarHBondContact O-N 3.06Å; R216-G220 VanDerWaalsContact O-N 3.13Å; T217-G220 PolarHBondContact O-N 3.44Å; G220-L222 PolarHBondContact O-N 2.91Å; G220-L223 PolarHBondContact O-N 3.36Å; G220-V224 VanDerWaalsContact O-CG2 3.3Å; G220-V224 WeakPolarHBondContact O-CG2 3.46Å; G220-V224 PolarHBondContact O-N 3.03Å
221V87.2Confident85.5Confident79 Ų7977.2 Ų77.248%0.47942%0.421SS..Hα-helixtrans-63.9-39.6178.2171.60000111.6L212 T217 V224 S225L212-V221 HydrophobicContact CD2-CG2 4.15Å; T217-V221 WeakPolarHBondContact O-CB 3.43Å; T217-V221 WeakPolarHBondContact O-CG2 3.43Å; T217-V221 PolarHBondContact O-N 3.27Å; V221-V224 PolarHBondContact O-N 3.47Å; V221-S225 VanDerWaalsContact O-CB 3.26Å; V221-S225 WeakPolarHBondContact O-CB 3.46Å; V221-S225 PolarHBondContact O-N 2.9Å; V221-S225 PolarHBondContact O-OG 3.4Å
222L86.8Confident85.5Confident125 Ų12579.1 Ų79.165%0.65443%0.434SS*.Hα-helixtrans-62-44.4175.7-73.8172.6000112.2T218 V219 G220 S225 L226T218-L222 VanDerWaalsContact O-CG 3.27Å; T218-L222 WeakPolarHBondContact O-CG 3.29Å; T218-L222 PolarHBondContact O-N 2.78Å; T218-L222 VanDerWaalsContact O-N 3.11Å; V219-L222 PolarHBondContact O-N 3.27Å; G220-L222 PolarHBondContact O-N 2.91Å; L222-S225 PolarHBondContact O-N 3.49Å; L222-L226 WeakPolarHBondContact O-CB 3.5Å; L222-L226 PolarHBondContact O-N 3.37Å
223L83.4Confident85.5Confident42 Ų4281.7 Ų81.722%0.2245%0.447CS..Hα-helixtrans-66.6-37.3178.3-74.1170.1000112.6L211 V219 G220L211-L223 HydrophobicContact CD1-CD1 3.72Å; V219-L223 HydrophobicContact CG1-CD1 4.23Å; V219-L223 WeakPolarHBondContact O-CG 3.49Å; V219-L223 PolarHBondContact O-N 3.44Å; G220-L223 PolarHBondContact O-N 3.36Å
224V84.6Confident85.2Confident62 Ų6279 Ų7938%0.37643%0.434SS..Hα-helixtrans-69.3-38.1175.3173.60000111.2L212 G220 V221 P228L212-V224 HydrophobicContact CD1-CG2 4.41Å; G220-V224 VanDerWaalsContact O-CG2 3.3Å; G220-V224 WeakPolarHBondContact O-CG2 3.46Å; G220-V224 PolarHBondContact O-N 3.03Å; V221-V224 PolarHBondContact O-N 3.47Å; V224-P228 VanDerWaalsContact O-CD 3.27Å; V224-P228 WeakPolarHBondContact O-CD 3.31Å
225S84.6Confident85Confident58 Ų5879.7 Ų79.741%0.40644%0.439SS..Hα-helixtrans-78.5-20.8-179.3-53.60000113.6V221 L222 V227 P228 A229V221-S225 VanDerWaalsContact O-CB 3.26Å; V221-S225 WeakPolarHBondContact O-CB 3.46Å; V221-S225 PolarHBondContact O-N 2.9Å; V221-S225 PolarHBondContact O-OG 3.4Å; L222-S225 PolarHBondContact O-N 3.49Å; S225-V227 PolarHBondContact O-N 3Å; S225-P228 VanDerWaalsContact O-CD 3.24Å; S225-P228 WeakPolarHBondContact O-CD 3.22Å; S225-P228 VanDerWaalsContact O-CG 3.31Å; S225-P228 WeakPolarHBondContact O-CG 3.32Å; S225-A229 WeakPolarHBondContact O-CB 3.37Å; S225-A229 PolarHBondContact O-N 3.13Å
226L83.6Confident85.1Confident81 Ų8175.8 Ų75.842%0.42442%0.422SS..Hα-helixtrans-61-32.2175.3-172.565.5000111.7L200 L222 S230L200-L226 HydrophobicContact CD2-CD2 4.01Å; L222-L226 WeakPolarHBondContact O-CB 3.5Å; L222-L226 PolarHBondContact O-N 3.37Å; L226-S230 VanDerWaalsContact O-CB 3.27Å; L226-S230 WeakPolarHBondContact O-CB 3.22Å; L226-S230 PolarHBondContact O-N 3.43Å; L226-S230 PolarHBondContact O-OG 3.29Å
227V80.9Confident84.9Confident21 Ų2173.3 Ų73.313%0.12741%0.414CS..Hα-helixtrans-62-60.9179.8177.40000112Y201 S225 A229 S230 L231Y201-V227 HydrophobicContact CD2-CB 4.37Å; Y201-V227 HydrophobicContact CD2-CG1 3.57Å; Y201-V227 HydrophobicContact CD2-CG2 3.84Å; Y201-V227 HydrophobicContact CE2-CG1 3.73Å; Y201-V227 HydrophobicContact CE2-CG2 4.39Å; S225-V227 PolarHBondContact O-N 3Å; V227-A229 VanDerWaalsContact C-N 3.28Å; V227-A229 PolarHBondContact O-N 3.18Å; V227-S230 PolarHBondContact O-N 3.09Å; V227-S230 PolarHBondContact O-OG 3.16Å; V227-L231 HydrophobicContact CG1-CD1 4.49Å; V227-L231 PolarHBondContact O-N 2.83Å; V227-L231 VanDerWaalsContact O-N 3.14Å
228P83.6Confident85Confident73 Ų7370.8 Ų70.847%0.47440%0.404SS..Hα-helixtrans-62.4-34.7178.322.4-32.2000112.4V224 S225 L231 V232V224-P228 VanDerWaalsContact O-CD 3.27Å; V224-P228 WeakPolarHBondContact O-CD 3.31Å; S225-P228 VanDerWaalsContact O-CD 3.24Å; S225-P228 WeakPolarHBondContact O-CD 3.22Å; S225-P228 VanDerWaalsContact O-CG 3.31Å; S225-P228 WeakPolarHBondContact O-CG 3.32Å; P228-L231 PolarHBondContact O-N 3.35Å; P228-V232 VanDerWaalsContact O-CG2 3.26Å; P228-V232 WeakPolarHBondContact O-CG2 3.39Å; P228-V232 PolarHBondContact O-N 3.15Å
229A85.4Confident84.6Confident51 Ų5172.8 Ų72.842%0.42140%0.404SS..Hα-helixtrans-62.8-44.717600000112.2S225 V227 L231 V232 L233S225-A229 WeakPolarHBondContact O-CB 3.37Å; S225-A229 PolarHBondContact O-N 3.13Å; V227-A229 VanDerWaalsContact C-N 3.28Å; V227-A229 PolarHBondContact O-N 3.18Å; A229-L231 PolarHBondContact O-N 3.14Å; A229-V232 PolarHBondContact O-N 3.23Å; A229-L233 WeakPolarHBondContact O-CG 3.4Å; A229-L233 PolarHBondContact O-N 3.06Å
230S85.3Confident84.2Confident24 Ų2472.9 Ų72.917%0.16841%0.407CS..Hα-helixtrans-65.3-37.9178.971.90000112.8L226 V227 L233 I234L226-S230 VanDerWaalsContact O-CB 3.27Å; L226-S230 WeakPolarHBondContact O-CB 3.22Å; L226-S230 PolarHBondContact O-N 3.43Å; L226-S230 PolarHBondContact O-OG 3.29Å; V227-S230 PolarHBondContact O-N 3.09Å; V227-S230 PolarHBondContact O-OG 3.16Å; S230-L233 PolarHBondContact O-N 3.47Å; S230-I234 WeakPolarHBondContact O-CG1 3.46Å; S230-I234 PolarHBondContact O-N 3.15Å; S230-I234 VanDerWaalsContact O-N 3.12Å
231L82.3Confident83.9Confident89 Ų8976 Ų7647%0.46642%0.422SS..Hα-helixtrans-65.8-43.5174.6-71.9174000111.9L197 V227 P228 A229 L233 I234 L235L197-L231 HydrophobicContact CD2-CD2 3.79Å; L197-L231 HydrophobicContact CD2-CG 4.35Å; V227-L231 HydrophobicContact CG1-CD1 4.49Å; V227-L231 PolarHBondContact O-N 2.83Å; V227-L231 VanDerWaalsContact O-N 3.14Å; P228-L231 PolarHBondContact O-N 3.35Å; A229-L231 PolarHBondContact O-N 3.14Å; L231-L233 VanDerWaalsContact C-N 3.34Å; L231-L233 PolarHBondContact O-N 2.97Å; L231-I234 PolarHBondContact O-N 3.38Å; L231-L235 WeakPolarHBondContact O-CG 3.42Å; L231-L235 PolarHBondContact O-N 2.99Å
232V87.4Confident83.3Confident78 Ų7876.2 Ų76.247%0.47343%0.425SS..Hα-helixtrans-61.3-42.9176.6169.90000111P228 A229 I234 L235 I236P228-V232 VanDerWaalsContact O-CG2 3.26Å; P228-V232 WeakPolarHBondContact O-CG2 3.39Å; P228-V232 PolarHBondContact O-N 3.15Å; A229-V232 PolarHBondContact O-N 3.23Å; V232-I234 VanDerWaalsContact C-N 3.34Å; V232-I234 PolarHBondContact O-N 3.05Å; V232-L235 PolarHBondContact O-N 3.25Å; V232-I236 HydrophobicContact CG1-CD1 3.7Å; V232-I236 HydrophobicContact CG1-CG1 4.38Å; V232-I236 VanDerWaalsContact O-CG1 3.28Å; V232-I236 WeakPolarHBondContact O-CG1 3.4Å; V232-I236 PolarHBondContact O-N 3.31Å
233L84.9Confident82.9Confident119 Ų11973.3 Ų73.362%0.62341%0.413SS*.Hα-helixtrans-61.7-39.6176.5-72.4174.2000112.6A229 S230 L231 I236 Y237A229-L233 WeakPolarHBondContact O-CG 3.4Å; A229-L233 PolarHBondContact O-N 3.06Å; S230-L233 PolarHBondContact O-N 3.47Å; L231-L233 VanDerWaalsContact C-N 3.34Å; L231-L233 PolarHBondContact O-N 2.97Å; L233-I236 PolarHBondContact O-N 3.49Å; L233-Y237 VanDerWaalsContact O-CB 3.26Å; L233-Y237 WeakPolarHBondContact O-CB 3.24Å; L233-Y237 PolarHBondContact O-N 2.91Å
234I83.4Confident82.5Confident58 Ų5875.4 Ų75.430%0.29743%0.43SS..Hα-helixtrans-66.3-43176.4-70.2164000111.4L197 S230 L231 V232 Y237 G238L197-I234 HydrophobicContact CD1-CD1 3.64Å; L197-I234 HydrophobicContact CD2-CD1 3.42Å; L197-I234 VanDerWaalsContact CD2-CD1 3.42Å; L197-I234 HydrophobicContact CG-CD1 4.08Å; S230-I234 WeakPolarHBondContact O-CG1 3.46Å; S230-I234 PolarHBondContact O-N 3.15Å; S230-I234 VanDerWaalsContact O-N 3.12Å; L231-I234 PolarHBondContact O-N 3.38Å; V232-I234 VanDerWaalsContact C-N 3.34Å; V232-I234 PolarHBondContact O-N 3.05Å; I234-Y237 PolarHBondContact O-N 3.4Å; I234-G238 PolarHBondContact O-N 2.77Å
235L84.5Confident81.6Confident128 Ų12876.8 Ų76.867%0.6743%0.429SS*.Hα-helixtrans-62.3-44.2177.3-70.1174.4000111.6L231 V232 G238 F239L231-L235 WeakPolarHBondContact O-CG 3.42Å; L231-L235 PolarHBondContact O-N 2.99Å; V232-L235 PolarHBondContact O-N 3.25Å; L235-G238 PolarHBondContact O-N 2.96Å; L235-F239 WeakPolarHBondContact O-CB 3.26Å; L235-F239 PolarHBondContact O-N 3.4Å
236I87.3Confident81Confident93 Ų9379.6 Ų79.648%0.47744%0.436SS..Hα-helixtrans-62-46.9175.5-68.1167.5000110.3V232 L233 G238 F239 C240V232-I236 HydrophobicContact CG1-CD1 3.7Å; V232-I236 HydrophobicContact CG1-CG1 4.38Å; V232-I236 VanDerWaalsContact O-CG1 3.28Å; V232-I236 WeakPolarHBondContact O-CG1 3.4Å; V232-I236 PolarHBondContact O-N 3.31Å; L233-I236 PolarHBondContact O-N 3.49Å; I236-G238 PolarHBondContact O-N 3.35Å; I236-F239 PolarHBondContact O-N 2.97Å; I236-C240 WeakPolarHBondContact O-CB 3.22Å; I236-C240 PolarHBondContact O-N 3.36Å; I236-C240 PolarHBondContact O-SG 3.02Å; I236-C240 VanDerWaalsContact O-SG 3.34Å
237Y83Confident80.2Confident117 Ų11781 Ų8146%0.45944%0.443SS..Hα-helixtrans-60.2-45.6179.1-179.2-108.9000112.1L233 I234 C240 Q241L233-Y237 VanDerWaalsContact O-CB 3.26Å; L233-Y237 WeakPolarHBondContact O-CB 3.24Å; L233-Y237 PolarHBondContact O-N 2.91Å; I234-Y237 PolarHBondContact O-N 3.4Å; Y237-C240 PolarHBondContact O-N 3.31Å; Y237-Q241 HydrophobicContact CE1-CG 4.43Å; Y237-Q241 WeakPolarHBondContact O-CG 3.33Å; Y237-Q241 PolarHBondContact O-N 3.25Å; Y237-Q241 PolarHBondContact OH-NE2 3.22Å
238G84.6Confident79.4Confident27 Ų2787.9 Ų87.928%0.27847%0.467SS..Hα-helixtrans-62.8-41.7175.500000112.7I234 L235 I236 Q241 C242I234-G238 PolarHBondContact O-N 2.77Å; L235-G238 PolarHBondContact O-N 2.96Å; I236-G238 PolarHBondContact O-N 3.35Å; G238-Q241 WeakPolarHBondContact O-CB 3.23Å; G238-Q241 PolarHBondContact O-N 3.36Å; G238-C242 PolarHBondContact O-N 2.82Å; G238-C242 PolarHBondContact O-SG 3.37Å
239F80.1Confident78.3Confident143 Ų14388.6 Ų88.663%0.62746%0.464SS*.Hα-helixtrans-63.4-45.7175.3-176.6-100.3000111.9L235 I236 Q241 C242 V243L235-F239 WeakPolarHBondContact O-CB 3.26Å; L235-F239 PolarHBondContact O-N 3.4Å; I236-F239 PolarHBondContact O-N 2.97Å; F239-Q241 VanDerWaalsContact C-N 3.29Å; F239-Q241 PolarHBondContact O-N 3.5Å; F239-C242 PolarHBondContact O-N 3.28Å; F239-V243 HydrophobicContact CD1-CG2 4.04Å; F239-V243 HydrophobicContact CE1-CG2 3.62Å; F239-V243 HydrophobicContact CE2-CG2 4.15Å; F239-V243 HydrophobicContact CG-CG2 4.48Å; F239-V243 HydrophobicContact CZ-CG2 3.68Å; F239-V243 WeakPolarHBondContact O-CG2 3.33Å; F239-V243 PolarHBondContact O-N 3.33Å
240C78.8Confident76.8Confident63 Ų6390.8 Ų90.843%0.42648%0.475SS..Hα-helixtrans-58.8-41174.5-73.40000111.7I236 Y237 V243 C244I236-C240 WeakPolarHBondContact O-CB 3.22Å; I236-C240 PolarHBondContact O-N 3.36Å; I236-C240 PolarHBondContact O-SG 3.02Å; I236-C240 VanDerWaalsContact O-SG 3.34Å; Y237-C240 PolarHBondContact O-N 3.31Å; C240-V243 PolarHBondContact O-N 3.23Å; C240-C244 VanDerWaalsContact O-CB 3.24Å; C240-C244 WeakPolarHBondContact O-CB 3.49Å; C240-C244 PolarHBondContact O-N 3.06Å; C240-C244 PolarHBondContact O-SG 3.44Å
241Q79.4Confident74.7Confident66 Ų6695 Ų9531%0.30850%0.495SS..Hα-helixtrans-62.5-44.1174.6-74.7-175.3-9.200112.7C186 Y237 G238 F239 C244 Y245C186-Q241 PolarHBondContact SG-NE2 2.86Å; C186-Q241 PolarHBondContact SG-OE1 3.49Å; C186-Q241 VanDerWaalsContact SG-OE1 3.35Å; Y237-Q241 HydrophobicContact CE1-CG 4.43Å; Y237-Q241 WeakPolarHBondContact O-CG 3.33Å; Y237-Q241 PolarHBondContact O-N 3.25Å; Y237-Q241 PolarHBondContact OH-NE2 3.22Å; G238-Q241 WeakPolarHBondContact O-CB 3.23Å; G238-Q241 PolarHBondContact O-N 3.36Å; F239-Q241 VanDerWaalsContact C-N 3.29Å; F239-Q241 PolarHBondContact O-N 3.5Å; Q241-C244 PolarHBondContact O-N 3.21Å; Q241-Y245 VanDerWaalsContact O-CB 3.31Å; Q241-Y245 WeakPolarHBondContact O-CB 3.26Å; Q241-Y245 PolarHBondContact O-N 3.35Å
242C75.7Confident73Confident82 Ų8295.9 Ų95.955%0.55451%0.506SS*.Hα-helixtrans-62.2-46.3176.9-70.30000111.7G238 F239 Y245 E246G238-C242 PolarHBondContact O-N 2.82Å; G238-C242 PolarHBondContact O-SG 3.37Å; F239-C242 PolarHBondContact O-N 3.28Å; C242-Y245 WeakPolarHBondContact O-CB 3.49Å; C242-Y245 PolarHBondContact O-N 3.28Å; C242-E246 WeakPolarHBondContact O-CG 3.24Å; C242-E246 PolarHBondContact O-N 2.99Å
243V77.9Confident71.4Confident64 Ų64101.5 Ų101.539%0.38854%0.544SS..Hα-helixtrans-65.3-44178.7174.30000110.9F239 C240 Y245 E246 L247F239-V243 HydrophobicContact CD1-CG2 4.04Å; F239-V243 HydrophobicContact CE1-CG2 3.62Å; F239-V243 HydrophobicContact CE2-CG2 4.15Å; F239-V243 HydrophobicContact CG-CG2 4.48Å; F239-V243 HydrophobicContact CZ-CG2 3.68Å; F239-V243 WeakPolarHBondContact O-CG2 3.33Å; F239-V243 PolarHBondContact O-N 3.33Å; C240-V243 PolarHBondContact O-N 3.23Å; V243-Y245 VanDerWaalsContact C-N 3.28Å; V243-Y245 PolarHBondContact O-N 3.41Å; V243-E246 PolarHBondContact O-N 2.92Å; V243-L247 VanDerWaalsContact O-CB 3.26Å; V243-L247 WeakPolarHBondContact O-CB 3.32Å; V243-L247 PolarHBondContact O-N 3.46Å
244C74.1Confident70.7Confident86 Ų86100.7 Ų100.758%0.58154%0.54SS*.Hα-helixtrans-62.1-36.3175.7-72.50000112C240 Q241 W248C240-C244 VanDerWaalsContact O-CB 3.24Å; C240-C244 WeakPolarHBondContact O-CB 3.49Å; C240-C244 PolarHBondContact O-N 3.06Å; C240-C244 PolarHBondContact O-SG 3.44Å; Q241-C244 PolarHBondContact O-N 3.21Å; C244-W248 WeakPolarHBondContact O-CB 3.33Å; C244-W248 PolarHBondContact O-N 3.33Å; C244-W248 VanDerWaalsContact O-N 3.09Å
245Y66.6Low70.1Confident91 Ų91102.9 Ų102.936%0.35755%0.553SS.*Hα-helixtrans-66-45.6175.3177.5-90.7000112K43 W179 Q241 C242 V243 H249K43-Y245 PolarHBondContact NZ-OH 3.38Å; W179-Y245 HydrophobicContact CH2-CE2 4.05Å; W179-Y245 HydrophobicContact CZ2-CD2 4.19Å; W179-Y245 AromaticContact CZ2-CE2 3.8Å; W179-Y245 HydrophobicContact CZ2-CE2 3.8Å; Q241-Y245 VanDerWaalsContact O-CB 3.31Å; Q241-Y245 WeakPolarHBondContact O-CB 3.26Å; Q241-Y245 PolarHBondContact O-N 3.35Å; C242-Y245 WeakPolarHBondContact O-CB 3.49Å; C242-Y245 PolarHBondContact O-N 3.28Å; V243-Y245 VanDerWaalsContact C-N 3.28Å; V243-Y245 PolarHBondContact O-N 3.41Å; Y245-H249 AromaticContact CE1-CD2 3.61Å; Y245-H249 AromaticContact CE2-CD2 3.89Å; Y245-H249 AromaticContact CE2-NE2 3.91Å; Y245-H249 AromaticContact CZ-CD2 3.46Å; Y245-H249 VanDerWaalsContact CZ-CD2 3.46Å; Y245-H249 AromaticContact CZ-NE2 3.49Å; Y245-H249 PolarHBondContact O-N 3.38Å; Y245-H249 VanDerWaalsContact O-N 3.15Å; Y245-H249 PolarHBondContact OH-NE2 3.46Å
246E71.1Confident69.3Low117 Ų117101.5 Ų101.555%0.54755%0.546SS..Hα-helixtrans-66.7-44.4177.6-73.3-64.9130.800112.3C242 V243 W248 H249 C250C242-E246 WeakPolarHBondContact O-CG 3.24Å; C242-E246 PolarHBondContact O-N 2.99Å; V243-E246 PolarHBondContact O-N 2.92Å; E246-W248 VanDerWaalsContact C-N 3.33Å; E246-W248 PolarHBondContact O-N 3.03Å; E246-H249 PolarHBondContact O-N 2.91Å; E246-C250 PolarHBondContact O-N 3.08Å; E246-C250 VanDerWaalsContact O-N 3.13Å; E246-C250 PolarHBondContact O-SG 3.33Å
247L68.1Low68.2Low112 Ų112102 Ų10259%0.58655%0.55SS**Hα-helixtrans-64.8-38.7-179.2-157.681.8000111.5V243 H249 C250 L251V243-L247 VanDerWaalsContact O-CB 3.26Å; V243-L247 WeakPolarHBondContact O-CB 3.32Å; V243-L247 PolarHBondContact O-N 3.46Å; L247-H249 VanDerWaalsContact C-N 3.33Å; L247-C250 PolarHBondContact O-N 3.46Å; L247-L251 PolarHBondContact O-N 3.49Å
248W62.9Low67.3Low164 Ų164101.1 Ų101.162%0.62156%0.556SS**Hα-helixtrans-71.3-29176.6-162.8-88.8000112.7R175 C244 E246 C250R175-W248 VanDerWaalsContact NH2-CZ2 3.33Å; C244-W248 WeakPolarHBondContact O-CB 3.33Å; C244-W248 PolarHBondContact O-N 3.33Å; C244-W248 VanDerWaalsContact O-N 3.09Å; E246-W248 VanDerWaalsContact C-N 3.33Å; E246-W248 PolarHBondContact O-N 3.03Å; W248-C250 VanDerWaalsContact C-N 3.28Å
249H60.5Low66.1Low89 Ų89106 Ų10641%0.41258%0.575SS.*Hα-helixtrans-72.7-22.1172.4-103.5-65.2000113.2Y245 E246 L247Y245-H249 AromaticContact CE1-CD2 3.61Å; Y245-H249 AromaticContact CE2-CD2 3.89Å; Y245-H249 AromaticContact CE2-NE2 3.91Å; Y245-H249 AromaticContact CZ-CD2 3.46Å; Y245-H249 VanDerWaalsContact CZ-CD2 3.46Å; Y245-H249 AromaticContact CZ-NE2 3.49Å; Y245-H249 PolarHBondContact O-N 3.38Å; Y245-H249 VanDerWaalsContact O-N 3.15Å; Y245-H249 PolarHBondContact OH-NE2 3.46Å; E246-H249 PolarHBondContact O-N 2.91Å; L247-H249 VanDerWaalsContact C-N 3.33Å
250C55.9Low65.1Low96 Ų96103.4 Ų103.465%0.64957%0.571SS**Hα-helixtrans-89.8-13.2178.6-65.90000113.8E246 L247 W248 P252E246-C250 PolarHBondContact O-N 3.08Å; E246-C250 VanDerWaalsContact O-N 3.13Å; E246-C250 PolarHBondContact O-SG 3.33Å; L247-C250 PolarHBondContact O-N 3.46Å; W248-C250 VanDerWaalsContact C-N 3.28Å; C250-P252 VanDerWaalsContact O-CD 3.26Å; C250-P252 WeakPolarHBondContact O-CD 3.27Å
251L40.6Very low64.1Low114 Ų114106.5 Ų106.560%0.59758%0.582SS**  trans-92.7106.2176.1-86151.3000109.9L247L247-L251 PolarHBondContact O-N 3.49Å
252P46.4Very low62.8Low106 Ų106109.8 Ų109.869%0.68861%0.605SS**  trans-69.1154.2165.431.7-31.7000109.6C250C250-P252 VanDerWaalsContact O-CD 3.26Å; C250-P252 WeakPolarHBondContact O-CD 3.27Å
253P53.7Low61.6Low197 Ų197112.4 Ų112.4100%1.27961%0.61SS**  trans-65.40177.329.8-35.6000113.1

Retrieved 253 of 253 residues in 91 ms (Link to these results)