A0A3Q0KJ07_SCHMA Loading...

Xaa-Pro dipeptidase

AlphaFold DB , UniProt , Accession A0A3Q0KJ07, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 503 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M37.9Very low52.1Low244 Ų244118.8 Ų118.8100%1.20275%0.747SS**  099.20-74.2-155-9500107.7
2T34.2Very low55.9Low147 Ų147116.5 Ų116.590%0.90272%0.724SS**  trans-93.298.8-177.1410000108.5G4T2-G4 PolarHBondContact O-N 2.95Å
3S38.2Very low59.1Low118 Ų118110.2 Ų110.283%0.82568%0.68SS**  trans-83.9107167.753.70000108.3A5S3-A5 PolarHBondContact O-N 2.82Å
4G35.4Very low61.8Low75 Ų75108.8 Ų108.877%0.77366%0.662SS**  trans-62.1128.6179.600000111.9T2 A6T2-G4 PolarHBondContact O-N 2.95Å; G4-A6 VanDerWaalsContact C-N 3.34Å; G4-A6 PolarHBondContact O-N 3.5Å
5A39.5Very low64.2Low103 Ų103106.7 Ų106.785%0.85164%0.644SS**  trans-69.294160.500000107.8S3 S7S3-A5 PolarHBondContact O-N 2.82Å; A5-S7 PolarHBondContact O-N 3.08Å; A5-S7 VanDerWaalsContact O-N 3.09Å
6A39.7Very low66.1Low87 Ų87104.4 Ų104.472%0.71965%0.65SS**  trans-64.9106.5160.400000106.6G4 R8G4-A6 VanDerWaalsContact C-N 3.34Å; G4-A6 PolarHBondContact O-N 3.5Å; A6-R8 VanDerWaalsContact C-N 3.3Å; A6-R8 PolarHBondContact O-N 2.93Å
7S39.8Very low67.6Low113 Ų113113.2 Ų113.279%0.7967%0.668SS**  trans-55.896.8168.3171.70000107.7A5 T9A5-S7 PolarHBondContact O-N 3.08Å; A5-S7 VanDerWaalsContact O-N 3.09Å; S7-T9 PolarHBondContact O-N 3.36Å
8R54.6Low69.3Low218 Ų218107.9 Ų107.982%0.82364%0.637SS**  trans-70113.9168.8-74.7-176.8177179.40105.7A6 A10A6-R8 VanDerWaalsContact C-N 3.3Å; A6-R8 PolarHBondContact O-N 2.93Å; R8-A10 PolarHBondContact O-N 2.67Å
9T71.7Confident70.8Confident127 Ų127104.6 Ų104.678%0.77962%0.616SS**PPolyproline II helixtrans-56.7124.6166.548.70000107.4S7S7-T9 PolarHBondContact O-N 3.36Å
10A86.3Confident72.1Confident40 Ų40101.4 Ų101.433%0.33160%0.602SS.*PPolyproline II helixtrans-50.8145.6175.700000112.9R8R8-A10 PolarHBondContact O-N 2.67Å
11P95.9Very high73.4Confident35 Ų3596.6 Ų96.623%0.22757%0.574CS.*PPolyproline II helixtrans-64.2146.2172.729.7-36.1000111M23 K132 D135P11-M23 HydrophobicContact CB-CG 4.13Å; P11-M23 HydrophobicContact CG-CB 4Å; P11-M23 HydrophobicContact CG-CG 3.89Å; P11-M23 PolarHBondContact O-N 3.13Å; P11-K132 VanDerWaalsContact CB-O 3.22Å; P11-K132 WeakPolarHBondContact CB-O 3.42Å; P11-K132 WeakPolarHBondContact CG-O 3.47Å; P11-D135 HydrophobicContact CG-CB 3.78Å
12I97.4Very high76.2Confident91 Ų9187 Ų8747%0.46753%0.529SS..EExtended strand (participates in β ladder)trans-128148.9179.962.7170.8000110.4Q14 A20 I21I12-Q14 HydrophobicContact CD1-CB 4.32Å; I12-A20 HydrophobicContact CD1-CB 3.86Å; I12-I21 CarbonylContact C-O 3.56Å; I12-I21 VanDerWaalsContact CA-O 3.25Å; I12-I21 WeakPolarHBondContact CA-O 3.3Å
13F97.9Very high79.3Confident35 Ų3580.1 Ų80.115%0.15449%0.487CS..EExtended strand (participates in β ladder)trans-90.8129.9159.5169.2-93.3000108.8L15 A20 I21 M23 L91 Y294 Y295F13-L15 HydrophobicContact CE1-CG 4.34Å; F13-L15 HydrophobicContact CE2-CD2 4.39Å; F13-L15 HydrophobicContact CE2-CG 4.35Å; F13-L15 HydrophobicContact CZ-CD1 4.01Å; F13-L15 HydrophobicContact CZ-CD2 4.25Å; F13-L15 HydrophobicContact CZ-CG 3.73Å; F13-A20 CarbonylContact O-C 3.35Å; F13-A20 WeakPolarHBondContact O-CA 3.12Å; F13-I21 HydrophobicContact CB-CB 4.42Å; F13-I21 HydrophobicContact CD1-CD1 4.06Å; F13-I21 HydrophobicContact CD1-CG1 4.42Å; F13-I21 PolarHBondContact N-O 2.73Å; F13-I21 PolarHBondContact O-N 2.9Å; F13-M23 HydrophobicContact CB-CE 3.64Å; F13-L91 HydrophobicContact CD2-CD1 3.87Å; F13-L91 HydrophobicContact CE2-CD1 3.56Å; F13-Y294 HydrophobicContact CD1-CE1 4.43Å; F13-Y294 HydrophobicContact CE1-CE1 4.01Å; F13-Y294 HydrophobicContact CE1-CE2 4.1Å; F13-Y294 AromaticContact CE1-CZ 3.63Å; F13-Y295 HydrophobicContact CB-CD2 4.38Å; F13-Y295 HydrophobicContact CB-CE2 4.02Å; F13-Y295 HydrophobicContact CD1-CD1 4.4Å; F13-Y295 AromaticContact CD1-CD2 3.58Å; F13-Y295 HydrophobicContact CD1-CD2 3.58Å; F13-Y295 HydrophobicContact CD1-CE2 4.09Å; F13-Y295 AromaticContact CD1-CG 3.75Å; F13-Y295 HydrophobicContact CD1-CG 3.75Å; F13-Y295 AromaticContact CD2-CD2 3.88Å; F13-Y295 HydrophobicContact CD2-CD2 3.88Å; F13-Y295 AromaticContact CD2-CE2 3.88Å; F13-Y295 HydrophobicContact CD2-CE2 3.88Å; F13-Y295 AromaticContact CE1-CD2 3.7Å; F13-Y295 HydrophobicContact CE1-CD2 3.7Å; F13-Y295 AromaticContact CE1-CG 3.9Å; F13-Y295 HydrophobicContact CE1-CG 3.9Å; F13-Y295 HydrophobicContact CE2-CD2 4Å; F13-Y295 HydrophobicContact CE2-CE2 4.38Å; F13-Y295 AromaticContact CG-CD2 3.66Å; F13-Y295 HydrophobicContact CG-CD2 3.66Å; F13-Y295 AromaticContact CG-CE2 3.71Å; F13-Y295 HydrophobicContact CG-CE2 3.71Å; F13-Y295 HydrophobicContact CG-CG 4.24Å; F13-Y295 AromaticContact CZ-CD2 3.91Å; F13-Y295 HydrophobicContact CZ-CD2 3.91Å
14Q97.5Very high82.1Confident90 Ų9077.1 Ų77.142%0.42146%0.46SS..  trans-155.8134.9175.4-169.3174.422.700111I12 C18 A20I12-Q14 HydrophobicContact CD1-CB 4.32Å; Q14-C18 WeakPolarHBondContact CG-O 3.47Å; Q14-C18 PolarHBondContact NE2-O 3.18Å; Q14-A20 HydrophobicContact CB-CB 4.35Å; Q14-A20 HydrophobicContact CG-CB 4.25Å
15L96.9Very high85.1Confident77 Ų7773.6 Ų73.640%0.40342%0.423SS..  trans-103.7106169.9-65.1179.7000110.2F13 R17 C18 G248 Y294F13-L15 HydrophobicContact CE1-CG 4.34Å; F13-L15 HydrophobicContact CE2-CD2 4.39Å; F13-L15 HydrophobicContact CE2-CG 4.35Å; F13-L15 HydrophobicContact CZ-CD1 4.01Å; F13-L15 HydrophobicContact CZ-CD2 4.25Å; F13-L15 HydrophobicContact CZ-CG 3.73Å; L15-R17 PolarHBondContact O-N 2.8Å; L15-C18 HydrophobicContact CB-CB 4.36Å; L15-C18 WeakPolarHBondContact O-CB 3.29Å; L15-C18 PolarHBondContact O-N 3.37Å; L15-C18 PolarHBondContact O-SG 3.48Å; L15-G248 WeakPolarHBondContact CD1-O 3.44Å; L15-Y294 HydrophobicContact CD1-CE2 4.25Å
16G94.3Very high87.9Confident71 Ų7168.7 Ų68.773%0.73238%0.383SS*.THydrogen-bonded Turntrans56-114.2177.800000112.7
17R92.2Very high90.7Very high254 Ų25466.9 Ų66.996%0.95836%0.363SS*.THydrogen-bonded Turntrans-99.87.7178.7-61.1-176.8-177.7-179.91113.8L15L15-R17 PolarHBondContact O-N 2.8Å
18C97.4Very high93.5Very high17 Ų1763 Ų6312%0.11534%0.338CS..SBendtrans-69175.9176.8-61.10000111.7Q14 L15 A20 Y210 G248 Y294Q14-C18 WeakPolarHBondContact CG-O 3.47Å; Q14-C18 PolarHBondContact NE2-O 3.18Å; L15-C18 HydrophobicContact CB-CB 4.36Å; L15-C18 WeakPolarHBondContact O-CB 3.29Å; L15-C18 PolarHBondContact O-N 3.37Å; L15-C18 PolarHBondContact O-SG 3.48Å; C18-A20 PolarHBondContact O-N 3.29Å; C18-Y210 WeakPolarHBondContact CA-OH 3.49Å; C18-Y210 VanDerWaalsContact CB-OH 3.27Å; C18-Y210 WeakPolarHBondContact CB-OH 3.43Å; C18-Y210 PolarHBondContact SG-OH 3.15Å; C18-Y210 VanDerWaalsContact SG-OH 3.38Å; C18-G248 PolarHBondContact SG-N 3.26Å; C18-Y294 HydrophobicContact CB-CE2 3.89Å; C18-Y294 VanDerWaalsContact CB-OH 3.29Å; C18-Y294 WeakPolarHBondContact CB-OH 3.33Å
19L98Very high95.6Very high46 Ų4652.7 Ų52.724%0.24130%0.299CS..  trans-55.5128.4178.5178.971.1000110.8I21 V207 Y210 Y294L19-I21 HydrophobicContact CD2-CG1 4.06Å; L19-I21 HydrophobicContact CG-CG1 4.2Å; L19-V207 HydrophobicContact CD2-CB 4.34Å; L19-V207 HydrophobicContact CD2-CG1 4.46Å; L19-V207 HydrophobicContact CD2-CG2 4.2Å; L19-Y210 HydrophobicContact CB-CD1 3.99Å; L19-Y210 HydrophobicContact CB-CD2 3.61Å; L19-Y210 HydrophobicContact CB-CE1 4.24Å; L19-Y210 HydrophobicContact CB-CE2 3.91Å; L19-Y210 HydrophobicContact CB-CG 3.67Å; L19-Y210 HydrophobicContact CD2-CG 4.07Å; L19-Y210 HydrophobicContact CG-CG 4.42Å; L19-Y294 HydrophobicContact CB-CE1 3.97Å; L19-Y294 WeakPolarHBondContact O-CE1 3.43Å; L19-Y294 PolarHBondContact O-OH 3.44Å
20A98.1Very high96.9Very high40 Ų4047 Ų4733%0.33126%0.263SS..  trans-80.7124.2167.900000109.5I12 F13 Q14 C18I12-A20 HydrophobicContact CD1-CB 3.86Å; F13-A20 CarbonylContact O-C 3.35Å; F13-A20 WeakPolarHBondContact O-CA 3.12Å; Q14-A20 HydrophobicContact CB-CB 4.35Å; Q14-A20 HydrophobicContact CG-CB 4.25Å; C18-A20 PolarHBondContact O-N 3.29Å
21I98.4Very high97.5Very high1 Ų148.7 Ų48.71%0.00526%0.264CS..EExtended strand (participates in β ladder)trans-110.6113.7-178.6-55.5178.1000108.4I12 F13 L19 M23 L25 V207 Y294 Y295I12-I21 CarbonylContact C-O 3.56Å; I12-I21 VanDerWaalsContact CA-O 3.25Å; I12-I21 WeakPolarHBondContact CA-O 3.3Å; F13-I21 HydrophobicContact CB-CB 4.42Å; F13-I21 HydrophobicContact CD1-CD1 4.06Å; F13-I21 HydrophobicContact CD1-CG1 4.42Å; F13-I21 PolarHBondContact N-O 2.73Å; F13-I21 PolarHBondContact O-N 2.9Å; L19-I21 HydrophobicContact CD2-CG1 4.06Å; L19-I21 HydrophobicContact CG-CG1 4.2Å; I21-M23 WeakPolarHBondContact O-CE 3.08Å; I21-L25 HydrophobicContact CG2-CD1 3.84Å; I21-V207 HydrophobicContact CD1-CB 4.4Å; I21-V207 HydrophobicContact CD1-CG1 3.74Å; I21-V207 HydrophobicContact CD1-CG2 3.68Å; I21-V207 HydrophobicContact CG1-CG2 3.97Å; I21-V207 HydrophobicContact CG2-CG2 4.09Å; I21-Y294 HydrophobicContact CD1-CD1 3.87Å; I21-Y294 HydrophobicContact CD1-CE1 3.62Å; I21-Y294 HydrophobicContact CG1-CE1 4.18Å; I21-Y295 HydrophobicContact CB-CD1 4.44Å; I21-Y295 HydrophobicContact CB-CE1 4.49Å; I21-Y295 HydrophobicContact CD1-CD1 3.36Å; I21-Y295 HydrophobicContact CD1-CE1 4.2Å; I21-Y295 HydrophobicContact CD1-CG 3.74Å; I21-Y295 HydrophobicContact CG1-CD1 4.48Å; I21-Y295 HydrophobicContact CG2-CD1 4.12Å; I21-Y295 HydrophobicContact CG2-CE1 3.97Å
22P97.8Very high97.6Very high42 Ų4249.9 Ų49.927%0.27326%0.264SS..EExtended strand (participates in β ladder)trans-67.3135.6176.428-33.3000111.2Q24 L25 M203P22-Q24 PolarHBondContact O-N 3.13Å; P22-Q24 VanDerWaalsContact O-N 3.1Å; P22-L25 VanDerWaalsContact O-CB 3.28Å; P22-L25 WeakPolarHBondContact O-CB 3.45Å; P22-L25 PolarHBondContact O-N 3.45Å; P22-M203 HydrophobicContact CG-CG 4.46Å; P22-M203 HydrophobicContact CG-SD 3.87Å
23M98.1Very high97.7Very high3 Ų345.5 Ų45.52%0.01524%0.242CC..THydrogen-bonded Turntrans-64.1-15.1175.7-65.3-60.994.100113P11 F13 I21 L25 H26 V27 K133 Y134 D135 Y295P11-M23 HydrophobicContact CB-CG 4.13Å; P11-M23 HydrophobicContact CG-CB 4Å; P11-M23 HydrophobicContact CG-CG 3.89Å; P11-M23 PolarHBondContact O-N 3.13Å; F13-M23 HydrophobicContact CB-CE 3.64Å; I21-M23 WeakPolarHBondContact O-CE 3.08Å; M23-L25 PolarHBondContact O-N 3.25Å; M23-L25 VanDerWaalsContact O-N 3.11Å; M23-H26 PolarHBondContact O-N 2.92Å; M23-V27 PolarHBondContact O-N 3.39Å; M23-K133 WeakPolarHBondContact CG-O 3.07Å; M23-Y134 HydrophobicContact SD-CD1 4.13Å; M23-D135 HydrophobicContact CB-CB 3.73Å; M23-Y295 HydrophobicContact CE-CE1 4.39Å; M23-Y295 VanDerWaalsContact CE-OH 3.3Å; M23-Y295 WeakPolarHBondContact CE-OH 3.12Å
24Q97.7Very high97.7Very high55 Ų5543.9 Ų43.926%0.25724%0.235SC..Hα-helixtrans-57.1-23.4170.7-73.566.438.500112.6P22 H26 V27 A28 D135 M203P22-Q24 PolarHBondContact O-N 3.13Å; P22-Q24 VanDerWaalsContact O-N 3.1Å; Q24-H26 VanDerWaalsContact C-N 3.3Å; Q24-H26 PolarHBondContact O-N 2.87Å; Q24-V27 PolarHBondContact O-N 3.5Å; Q24-A28 VanDerWaalsContact O-CB 3.26Å; Q24-A28 WeakPolarHBondContact O-CB 3.48Å; Q24-A28 PolarHBondContact O-N 2.77Å; Q24-D135 PolarHBondContact NE2-OD2 3.09Å; Q24-M203 HydrophobicContact CB-CE 4.31Å; Q24-M203 HydrophobicContact CB-SD 4.08Å; Q24-M203 WeakPolarHBondContact O-CE 3.41Å
25L98.5Very high97.7Very high0 Ų042.7 Ų42.70%023%0.231CC..Hα-helixtrans-51.8-53.2169.5-174.6165.5000110I21 P22 M23 A28 N29 M203 E204 V207 Y297I21-L25 HydrophobicContact CG2-CD1 3.84Å; P22-L25 VanDerWaalsContact O-CB 3.28Å; P22-L25 WeakPolarHBondContact O-CB 3.45Å; P22-L25 PolarHBondContact O-N 3.45Å; M23-L25 PolarHBondContact O-N 3.25Å; M23-L25 VanDerWaalsContact O-N 3.11Å; L25-A28 PolarHBondContact O-N 2.87Å; L25-N29 WeakPolarHBondContact CD2-ND2 3.26Å; L25-N29 PolarHBondContact O-N 3.44Å; L25-M203 HydrophobicContact CB-CB 3.96Å; L25-M203 HydrophobicContact CB-SD 4.16Å; L25-M203 HydrophobicContact CD1-CB 4.06Å; L25-M203 HydrophobicContact CG-CB 3.89Å; L25-M203 PolarHBondContact N-SD 2.99Å; L25-E204 HydrophobicContact CD1-CG 4.13Å; L25-E204 HydrophobicContact CD2-CG 3.92Å; L25-E204 HydrophobicContact CG-CG 4.01Å; L25-V207 HydrophobicContact CD1-CG2 4Å; L25-Y297 HydrophobicContact CD1-CE2 4.49Å; L25-Y297 WeakPolarHBondContact CD2-OH 3.47Å
26H98.7Very high97.7Very high0 Ų043.5 Ų43.50%023%0.229CC..Hα-helixtrans-71.5-38-178.6-57.7-64.2000111.9M23 Q24 A28 N29 R30 H85 W86 G89 Y295M23-H26 PolarHBondContact O-N 2.92Å; Q24-H26 VanDerWaalsContact C-N 3.3Å; Q24-H26 PolarHBondContact O-N 2.87Å; H26-A28 VanDerWaalsContact C-N 3.33Å; H26-A28 PolarHBondContact O-N 3.36Å; H26-N29 WeakPolarHBondContact O-CB 3.35Å; H26-N29 PolarHBondContact O-N 3.27Å; H26-R30 WeakPolarHBondContact O-CG 3.48Å; H26-R30 PolarHBondContact O-N 3.44Å; H26-H85 AromaticContact CE1-NE2 3.85Å; H26-H85 PolarHBondContact CE1-O 3.03Å; H26-H85 VanDerWaalsContact CE1-O 3.23Å; H26-H85 PolarHBondContact ND1-O 2.82Å; H26-H85 VanDerWaalsContact ND1-O 3.13Å; H26-W86 PolarHBondContact ND1-O 3.14Å; H26-W86 VanDerWaalsContact ND1-O 3.11Å; H26-G89 WeakPolarHBondContact CE1-CA 3.12Å; H26-G89 PolarHBondContact ND1-N 3.39Å; H26-G89 WeakPolarHBondContact NE2-CA 3.48Å; H26-Y295 AromaticContact CE1-CE1 3.83Å; H26-Y295 AromaticContact NE2-CE1 3.19Å; H26-Y295 WeakPolarHBondContact NE2-CE1 3.45Å; H26-Y295 AromaticContact NE2-CZ 3.39Å; H26-Y295 PolarHBondContact NE2-OH 3.33Å
27V98.2Very high97.8Very high50 Ų5040.1 Ų40.130%0.30319%0.194SC..Hα-helixtrans-57.5-47.3173.8-179.40000110.8M23 Q24 N29 R30 Q31 D135M23-V27 PolarHBondContact O-N 3.39Å; Q24-V27 PolarHBondContact O-N 3.5Å; V27-N29 VanDerWaalsContact C-N 3.33Å; V27-N29 PolarHBondContact O-N 2.84Å; V27-R30 PolarHBondContact O-N 3.08Å; V27-Q31 PolarHBondContact O-N 3.19Å; V27-D135 HydrophobicContact CG2-CB 4.09Å; V27-D135 WeakPolarHBondContact CG2-OD2 3.45Å
28A98.2Very high97.9Very high32 Ų3230.2 Ų30.226%0.26416%0.157SC..Hα-helixtrans-62.3-40.8177.600000111.5Q24 L25 H26 Q31 R32 M203Q24-A28 VanDerWaalsContact O-CB 3.26Å; Q24-A28 WeakPolarHBondContact O-CB 3.48Å; Q24-A28 PolarHBondContact O-N 2.77Å; L25-A28 PolarHBondContact O-N 2.87Å; H26-A28 VanDerWaalsContact C-N 3.33Å; H26-A28 PolarHBondContact O-N 3.36Å; A28-Q31 PolarHBondContact O-N 2.98Å; A28-R32 WeakPolarHBondContact O-CB 3.35Å; A28-R32 VanDerWaalsContact O-CG 3.23Å; A28-R32 WeakPolarHBondContact O-CG 3.42Å; A28-R32 PolarHBondContact O-N 2.99Å; A28-M203 HydrophobicContact CB-CE 3.85Å
29N98.8Very high97.7Very high0 Ų034.9 Ų34.90%018%0.18CC..Hα-helixtrans-61.5-46.2175.6-79.1-11.8000112.5L25 H26 V27 Q31 R32 L33 W86 E204L25-N29 WeakPolarHBondContact CD2-ND2 3.26Å; L25-N29 PolarHBondContact O-N 3.44Å; H26-N29 WeakPolarHBondContact O-CB 3.35Å; H26-N29 PolarHBondContact O-N 3.27Å; V27-N29 VanDerWaalsContact C-N 3.33Å; V27-N29 PolarHBondContact O-N 2.84Å; N29-Q31 VanDerWaalsContact C-N 3.34Å; N29-Q31 PolarHBondContact O-N 2.86Å; N29-R32 PolarHBondContact O-N 3.45Å; N29-R32 PolarHBondContact OD1-NH1 3.17Å; N29-R32 VanDerWaalsContact OD1-NH1 3.07Å; N29-L33 WeakPolarHBondContact O-CB 3.44Å; N29-L33 PolarHBondContact O-N 3.1Å; N29-W86 HydrophobicContact CB-CD2 4.05Å; N29-W86 HydrophobicContact CB-CE3 4.13Å; N29-W86 HydrophobicContact CB-CH2 3.56Å; N29-W86 HydrophobicContact CB-CZ2 3.45Å; N29-W86 VanDerWaalsContact CB-CZ2 3.45Å; N29-W86 HydrophobicContact CB-CZ3 3.91Å; N29-W86 VanDerWaalsContact ND2-CE2 3.28Å; N29-W86 PolarHBondContact ND2-NE1 3.12Å; N29-W86 PolarHBondContact ND2-O 3.43Å; N29-W86 VanDerWaalsContact O-CH2 3.23Å; N29-W86 WeakPolarHBondContact O-CH2 3.41Å; N29-W86 WeakPolarHBondContact OD1-CZ2 3.45Å; N29-E204 PolarHBondContact ND2-OE1 2.93Å
30R98.7Very high97.5Very high7 Ų736.3 Ų36.33%0.02619%0.185CC..Hα-helixtrans-59.1-44.9174.6-65-168-60.8-91.914.2111.6H26 V27 R32 L33 C34 A87 I99 S106 D135H26-R30 WeakPolarHBondContact O-CG 3.48Å; H26-R30 PolarHBondContact O-N 3.44Å; V27-R30 PolarHBondContact O-N 3.08Å; R30-R32 PolarHBondContact O-N 2.84Å; R30-L33 PolarHBondContact O-N 3.26Å; R30-C34 PolarHBondContact O-N 2.83Å; R30-C34 PolarHBondContact O-SG 2.9Å; R30-C34 VanDerWaalsContact O-SG 3.35Å; R30-A87 WeakPolarHBondContact CD-O 3.25Å; R30-A87 HydrophobicContact CG-CB 4.47Å; R30-A87 WeakPolarHBondContact CG-O 3.05Å; R30-A87 PolarHBondContact NH1-O 3.36Å; R30-I99 HydrophobicContact CB-CD1 3.96Å; R30-I99 HydrophobicContact CB-CG2 4.4Å; R30-I99 HydrophobicContact CG-CD1 3.61Å; R30-I99 HydrophobicContact CG-CG1 4.33Å; R30-S106 PolarHBondContact NE-OG 3.21Å; R30-S106 PolarHBondContact NH2-OG 2.9Å; R30-D135 PolarHBondContact NH2-O 3.38Å
31Q98.4Very high97Very high77 Ų7735 Ų3536%0.3617%0.172SC..Hα-helixtrans-63.2-43.6178.4-174.362.33400112.3V27 A28 N29 L33 C34 N35V27-Q31 PolarHBondContact O-N 3.19Å; A28-Q31 PolarHBondContact O-N 2.98Å; N29-Q31 VanDerWaalsContact C-N 3.34Å; N29-Q31 PolarHBondContact O-N 2.86Å; Q31-L33 VanDerWaalsContact C-N 3.33Å; Q31-L33 PolarHBondContact O-N 2.98Å; Q31-C34 PolarHBondContact O-N 3.28Å; Q31-N35 PolarHBondContact NE2-OD1 2.82Å; Q31-N35 PolarHBondContact O-N 3.08Å; Q31-N35 PolarHBondContact O-OD1 3.38Å
32R98.4Very high96.4Very high59 Ų5938.7 Ų38.722%0.22320%0.198CC..Hα-helixtrans-59.4-44.7175.8-72.9168.466-144.60.8111.2A28 N29 R30 N35 R36 C196 I199 E204A28-R32 WeakPolarHBondContact O-CB 3.35Å; A28-R32 VanDerWaalsContact O-CG 3.23Å; A28-R32 WeakPolarHBondContact O-CG 3.42Å; A28-R32 PolarHBondContact O-N 2.99Å; N29-R32 PolarHBondContact O-N 3.45Å; N29-R32 PolarHBondContact OD1-NH1 3.17Å; N29-R32 VanDerWaalsContact OD1-NH1 3.07Å; R30-R32 PolarHBondContact O-N 2.84Å; R32-N35 PolarHBondContact O-N 3.47Å; R32-R36 PolarHBondContact O-N 3.24Å; R32-R36 VanDerWaalsContact O-N 3.1Å; R32-C196 PolarHBondContact NH2-O 3.47Å; R32-I199 PolarHBondContact NH2-O 2.88Å; R32-E204 IonicContact NH1-OE2 3.9Å; R32-E204 PolarHBondContact NH1-OE2 3.09Å
33L98.7Very high95.8Very high0 Ų040 Ų400%021%0.209CC..Hα-helixtrans-61.7-48.8176.8177.360.2000111.4N29 R30 Q31 N35 R36 I37 V59 W86 I99 L189 E192 I193N29-L33 WeakPolarHBondContact O-CB 3.44Å; N29-L33 PolarHBondContact O-N 3.1Å; R30-L33 PolarHBondContact O-N 3.26Å; Q31-L33 VanDerWaalsContact C-N 3.33Å; Q31-L33 PolarHBondContact O-N 2.98Å; L33-N35 VanDerWaalsContact C-N 3.33Å; L33-N35 PolarHBondContact O-N 3.29Å; L33-R36 PolarHBondContact O-N 2.66Å; L33-I37 HydrophobicContact CD1-CD1 3.75Å; L33-I37 HydrophobicContact CD1-CG1 4.11Å; L33-I37 HydrophobicContact CG-CD1 3.8Å; L33-I37 HydrophobicContact CG-CG1 4.5Å; L33-I37 WeakPolarHBondContact O-CG1 3.36Å; L33-I37 PolarHBondContact O-N 3.11Å; L33-V59 HydrophobicContact CD2-CG1 4.47Å; L33-V59 HydrophobicContact CD2-CG2 4.49Å; L33-W86 HydrophobicContact CB-CH2 4.25Å; L33-W86 HydrophobicContact CB-CZ3 4.17Å; L33-W86 HydrophobicContact CD2-CZ3 4.35Å; L33-I99 HydrophobicContact CD2-CD1 4.29Å; L33-L189 HydrophobicContact CD1-CD1 4.12Å; L33-L189 HydrophobicContact CD2-CD1 4.08Å; L33-E192 HydrophobicContact CD1-CB 4.25Å; L33-I193 HydrophobicContact CD1-CB 3.81Å; L33-I193 HydrophobicContact CD1-CG1 4.2Å; L33-I193 HydrophobicContact CD2-CB 4.44Å; L33-I193 HydrophobicContact CD2-CD1 4.03Å; L33-I193 HydrophobicContact CD2-CG1 4.13Å
34C98.3Very high95.1Very high0 Ų044.1 Ų44.10%023%0.23CC..Hα-helixtrans-56.2-48.1176.4-720000111.2R30 Q31 R36 I37 R38 I99R30-C34 PolarHBondContact O-N 2.83Å; R30-C34 PolarHBondContact O-SG 2.9Å; R30-C34 VanDerWaalsContact O-SG 3.35Å; Q31-C34 PolarHBondContact O-N 3.28Å; C34-R36 PolarHBondContact O-N 3.33Å; C34-I37 PolarHBondContact O-N 2.97Å; C34-R38 VanDerWaalsContact O-CG 3.27Å; C34-R38 WeakPolarHBondContact O-CG 3.27Å; C34-R38 PolarHBondContact O-N 3.14Å; C34-I99 WeakPolarHBondContact SG-CG2 3.36Å
35N97.4Very high93.5Very high66 Ų6643.7 Ų43.735%0.35323%0.229SC..Hα-helixtrans-55.8-48.5178.6-68.7-11.8000111.7Q31 R32 L33 I37 R38 D39Q31-N35 PolarHBondContact NE2-OD1 2.82Å; Q31-N35 PolarHBondContact O-N 3.08Å; Q31-N35 PolarHBondContact O-OD1 3.38Å; R32-N35 PolarHBondContact O-N 3.47Å; L33-N35 VanDerWaalsContact C-N 3.33Å; L33-N35 PolarHBondContact O-N 3.29Å; N35-I37 PolarHBondContact O-N 3.29Å; N35-R38 PolarHBondContact O-N 3.44Å; N35-R38 PolarHBondContact OD1-NH1 3.33Å; N35-D39 PolarHBondContact O-N 3.39Å
36R97.2Very high91.5Very high94 Ų9449.9 Ų49.936%0.35527%0.268SS..Hα-helixtrans-60.7-42.7177.2-72.1-167.167.485.55.4113.2R32 L33 C34 D39 K40 E192 C196R32-R36 PolarHBondContact O-N 3.24Å; R32-R36 VanDerWaalsContact O-N 3.1Å; L33-R36 PolarHBondContact O-N 2.66Å; C34-R36 PolarHBondContact O-N 3.33Å; R36-D39 PolarHBondContact O-N 2.82Å; R36-K40 WeakPolarHBondContact O-CB 3.39Å; R36-K40 PolarHBondContact O-N 3.04Å; R36-E192 HydrophobicContact CB-CB 4.38Å; R36-E192 IonicContact CZ-OE2 4Å; R36-E192 VanDerWaalsContact CZ-OE2 3.27Å; R36-E192 IonicContact NE-OE2 2.69Å; R36-E192 PolarHBondContact NE-OE2 3.38Å; R36-E192 IonicContact NH2-OE2 3.52Å; R36-E192 PolarHBondContact NH2-OE2 3.11Å; R36-C196 WeakPolarHBondContact CD-SG 3.3Å
37I96.5Very high89.3Confident0 Ų053.1 Ų53.10%030%0.301CS..Hα-helixtrans-65.7-40.6178.7-67.9171.3000110.7L33 C34 N35 K40 I41 V59 V101 L158 I188 L189 E192L33-I37 HydrophobicContact CD1-CD1 3.75Å; L33-I37 HydrophobicContact CD1-CG1 4.11Å; L33-I37 HydrophobicContact CG-CD1 3.8Å; L33-I37 HydrophobicContact CG-CG1 4.5Å; L33-I37 WeakPolarHBondContact O-CG1 3.36Å; L33-I37 PolarHBondContact O-N 3.11Å; C34-I37 PolarHBondContact O-N 2.97Å; N35-I37 PolarHBondContact O-N 3.29Å; I37-K40 PolarHBondContact O-N 3.35Å; I37-I41 HydrophobicContact CG2-CD1 3.68Å; I37-I41 HydrophobicContact CG2-CG1 4.27Å; I37-I41 WeakPolarHBondContact O-CB 3.16Å; I37-I41 WeakPolarHBondContact O-CG1 3.48Å; I37-I41 PolarHBondContact O-N 2.74Å; I37-V59 HydrophobicContact CD1-CG2 3.47Å; I37-V59 VanDerWaalsContact CD1-CG2 3.47Å; I37-V101 HydrophobicContact CB-CG1 4.22Å; I37-V101 HydrophobicContact CG2-CG1 3.7Å; I37-V101 HydrophobicContact CG2-CG2 4.04Å; I37-L158 HydrophobicContact CD1-CD1 4.07Å; I37-L158 HydrophobicContact CG2-CD1 3.52Å; I37-I188 HydrophobicContact CG2-CG2 4.46Å; I37-L189 HydrophobicContact CD1-CD1 4Å; I37-E192 HydrophobicContact CG1-CB 4.15Å; I37-E192 HydrophobicContact CG1-CG 4.31Å
38R94.9Very high87Confident45 Ų4559.5 Ų59.517%0.1732%0.324CS..Hα-helixtrans-58.7-50.9175.1-67.6-177.1-161.91254.5110.4C34 N35 K40 I41 S42 L54 V101 A102C34-R38 VanDerWaalsContact O-CG 3.27Å; C34-R38 WeakPolarHBondContact O-CG 3.27Å; C34-R38 PolarHBondContact O-N 3.14Å; N35-R38 PolarHBondContact O-N 3.44Å; N35-R38 PolarHBondContact OD1-NH1 3.33Å; R38-K40 VanDerWaalsContact C-N 3.3Å; R38-K40 PolarHBondContact O-N 3.16Å; R38-I41 PolarHBondContact O-N 2.99Å; R38-S42 WeakPolarHBondContact O-CB 3.49Å; R38-S42 PolarHBondContact O-N 3.07Å; R38-S42 PolarHBondContact O-OG 2.81Å; R38-S42 VanDerWaalsContact O-OG 3.13Å; R38-L54 HydrophobicContact CB-CD1 4.17Å; R38-L54 HydrophobicContact CG-CD1 3.7Å; R38-V101 HydrophobicContact CG-CG1 3.87Å; R38-V101 PolarHBondContact NE-O 2.92Å; R38-V101 PolarHBondContact NH2-O 3.14Å; R38-A102 PolarHBondContact NE-O 3.2Å; R38-A102 PolarHBondContact NH2-O 3.29Å
39D93.2Very high84.7Confident115 Ų11563.3 Ų63.362%0.61535%0.349SS*.Hα-helixtrans-59-42.8178.1-65.1-19.6000111.4N35 R36 S42 S43N35-D39 PolarHBondContact O-N 3.39Å; R36-D39 PolarHBondContact O-N 2.82Å; D39-S42 PolarHBondContact O-N 3.44Å; D39-S43 WeakPolarHBondContact O-CB 3.35Å; D39-S43 PolarHBondContact O-N 2.91Å
40K92.5Very high82.5Confident76 Ų7667.4 Ų67.433%0.3337%0.367SS..Hα-helixtrans-62.1-48.5177.6-177.859.4173.1-173.50112R36 I37 R38 S43 L44 I188 E192R36-K40 WeakPolarHBondContact O-CB 3.39Å; R36-K40 PolarHBondContact O-N 3.04Å; I37-K40 PolarHBondContact O-N 3.35Å; R38-K40 VanDerWaalsContact C-N 3.3Å; R38-K40 PolarHBondContact O-N 3.16Å; K40-S43 PolarHBondContact O-N 2.91Å; K40-S43 PolarHBondContact O-OG 2.83Å; K40-L44 HydrophobicContact CG-CD1 4.44Å; K40-L44 WeakPolarHBondContact O-CG 3.27Å; K40-L44 PolarHBondContact O-N 2.74Å; K40-I188 HydrophobicContact CG-CG2 4.26Å; K40-E192 HydrophobicContact CB-CG 4.41Å; K40-E192 WeakPolarHBondContact CD-OE1 3.47Å; K40-E192 HydrophobicContact CG-CG 4.49Å; K40-E192 WeakPolarHBondContact CG-OE1 3.41Å
41I89.1Confident80.4Confident12 Ų1269.1 Ų69.16%0.06238%0.378CS..Hα-helixtrans-64.7-44.4179.6-68.7171.7000110.2I37 R38 S43 L44 D45 L54 V57 I188I37-I41 HydrophobicContact CG2-CD1 3.68Å; I37-I41 HydrophobicContact CG2-CG1 4.27Å; I37-I41 WeakPolarHBondContact O-CB 3.16Å; I37-I41 WeakPolarHBondContact O-CG1 3.48Å; I37-I41 PolarHBondContact O-N 2.74Å; R38-I41 PolarHBondContact O-N 2.99Å; I41-S43 PolarHBondContact O-N 2.83Å; I41-L44 PolarHBondContact O-N 3.43Å; I41-D45 PolarHBondContact O-N 3.31Å; I41-L54 HydrophobicContact CB-CD2 4.16Å; I41-L54 HydrophobicContact CD1-CD2 3.73Å; I41-L54 HydrophobicContact CG2-CD2 3.88Å; I41-V57 HydrophobicContact CD1-CG1 4.26Å; I41-I188 HydrophobicContact CG1-CD1 4.36Å
42S86.2Confident78.3Confident80 Ų8073.5 Ų73.556%0.55940%0.398SS*.Hα-helixtrans-59.1-34.5175.5-650000112.7R38 D39 L44R38-S42 WeakPolarHBondContact O-CB 3.49Å; R38-S42 PolarHBondContact O-N 3.07Å; R38-S42 PolarHBondContact O-OG 2.81Å; R38-S42 VanDerWaalsContact O-OG 3.13Å; D39-S42 PolarHBondContact O-N 3.44Å; S42-L44 VanDerWaalsContact C-N 3.3Å; S42-L44 PolarHBondContact O-N 2.98Å
43S85.1Confident77.1Confident70 Ų7075.4 Ų75.449%0.4941%0.413SS..Hα-helixtrans-70.8-22175.578.10000114.4D39 K40 I41D39-S43 WeakPolarHBondContact O-CB 3.35Å; D39-S43 PolarHBondContact O-N 2.91Å; K40-S43 PolarHBondContact O-N 2.91Å; K40-S43 PolarHBondContact O-OG 2.83Å; I41-S43 PolarHBondContact O-N 2.83Å
44L81.7Confident76.5Confident88 Ų8877.1 Ų77.146%0.46142%0.422SS..Hα-helixtrans-87.6-21.9179.5-66.6167.1000112.5K40 I41 S42 T46 I188K40-L44 HydrophobicContact CG-CD1 4.44Å; K40-L44 WeakPolarHBondContact O-CG 3.27Å; K40-L44 PolarHBondContact O-N 2.74Å; I41-L44 PolarHBondContact O-N 3.43Å; S42-L44 VanDerWaalsContact C-N 3.3Å; S42-L44 PolarHBondContact O-N 2.98Å; L44-T46 PolarHBondContact O-N 3.28Å; L44-T46 VanDerWaalsContact O-N 3.08Å; L44-I188 HydrophobicContact CD1-CD1 4.4Å
45D65.4Low75.8Confident46 Ų4680 Ų8025%0.24644%0.442CS..  trans-80.323.4-173.2-160.120.6000114.3I41 G47 H52I41-D45 PolarHBondContact O-N 3.31Å; D45-G47 PolarHBondContact O-N 3.25Å; D45-H52 IonicContact OD1-CE1 3.66Å; D45-H52 IonicContact OD1-ND1 3.79Å; D45-H52 IonicContact OD2-CE1 3.46Å; D45-H52 PolarHBondContact OD2-CE1 3.24Å; D45-H52 IonicContact OD2-ND1 2.88Å; D45-H52 PolarHBondContact OD2-ND1 3.25Å
46T55.6Low75.6Confident131 Ų13177.1 Ų77.180%0.80443%0.427SS*.SBendtrans-78.626.1-179.463.40000114.5L44L44-T46 PolarHBondContact O-N 3.28Å; L44-T46 VanDerWaalsContact O-N 3.08Å
47G53.2Low75.5Confident67 Ų6772.6 Ų72.669%0.69141%0.411SS*.SBendtrans144.86169.100000118.6D45D45-G47 PolarHBondContact O-N 3.25Å
48K49Very low75.6Confident185 Ų18572.7 Ų72.780%0.80441%0.411SS*.SBendtrans-146.592.2175.6-70.3-172.9-179.3175.90113.3F50K48-F50 PolarHBondContact O-N 3.41Å; K48-F50 VanDerWaalsContact O-N 3.08Å
49S49.8Very low75.8Confident112 Ų11270.5 Ų70.578%0.78340%0.403SS*.  trans53.931.5142.3-169.10000119.4
50F54.2Low76.1Confident85 Ų8565 Ų6537%0.37337%0.373SS..SBendtrans-115.695.8169.7-102.1-90.9000111K48 L156K48-F50 PolarHBondContact O-N 3.41Å; K48-F50 VanDerWaalsContact O-N 3.08Å; F50-L156 HydrophobicContact CE1-CD2 4.36Å
51V54.3Low76.4Confident44 Ų4461.5 Ų61.527%0.26736%0.358SS..  trans47.981.8162.4-147.50000115.4N53 V57 L156V51-N53 WeakPolarHBondContact CG1-O 3.32Å; V51-N53 PolarHBondContact O-N 2.95Å; V51-V57 HydrophobicContact CG1-CG2 4.19Å; V51-L156 HydrophobicContact CG2-CD2 4.36Å
52H54.8Low76.8Confident169 Ų16963.1 Ų63.178%0.78237%0.365SS*.SBendtrans-59.6-9.4170.5-68.4-44.4000114.3D45D45-H52 IonicContact OD1-CE1 3.66Å; D45-H52 IonicContact OD1-ND1 3.79Å; D45-H52 IonicContact OD2-CE1 3.46Å; D45-H52 PolarHBondContact OD2-CE1 3.24Å; D45-H52 IonicContact OD2-ND1 2.88Å; D45-H52 PolarHBondContact OD2-ND1 3.25Å
53N71.8Confident77.4Confident98 Ų9859.6 Ų59.652%0.52434%0.342SS..SBendtrans-133.8109.7176.9-1773.1000110.4V51 S55V51-N53 WeakPolarHBondContact CG1-O 3.32Å; V51-N53 PolarHBondContact O-N 2.95Å; N53-S55 WeakPolarHBondContact ND2-CB 3.42Å; N53-S55 PolarHBondContact ND2-OG 3.48Å; N53-S55 PolarHBondContact O-N 2.87Å; N53-S55 WeakPolarHBondContact OD1-CB 3.39Å; N53-S55 PolarHBondContact OD1-N 3.44Å; N53-S55 PolarHBondContact OD1-OG 3.29Å
54L85.7Confident78Confident37 Ų3757 Ų5719%0.19433%0.326CS..  trans-59.3-11.2176.6-68.9165.7000114.1R38 I41 G56 V57 V101 A102R38-L54 HydrophobicContact CB-CD1 4.17Å; R38-L54 HydrophobicContact CG-CD1 3.7Å; I41-L54 HydrophobicContact CB-CD2 4.16Å; I41-L54 HydrophobicContact CD1-CD2 3.73Å; I41-L54 HydrophobicContact CG2-CD2 3.88Å; L54-G56 PolarHBondContact O-N 3.45Å; L54-V57 WeakPolarHBondContact O-CB 3.4Å; L54-V57 PolarHBondContact O-N 3.23Å; L54-V57 VanDerWaalsContact O-N 3.08Å; L54-V101 HydrophobicContact CD2-CG1 4.32Å; L54-A102 HydrophobicContact CB-CB 3.98Å
55S85.1Confident78.7Confident61 Ų6156.3 Ų56.343%0.42733%0.326SS..THydrogen-bonded Turntrans-57.1126.2170.7-53.60000110.1N53N53-S55 WeakPolarHBondContact ND2-CB 3.42Å; N53-S55 PolarHBondContact ND2-OG 3.48Å; N53-S55 PolarHBondContact O-N 2.87Å; N53-S55 WeakPolarHBondContact OD1-CB 3.39Å; N53-S55 PolarHBondContact OD1-N 3.44Å; N53-S55 PolarHBondContact OD1-OG 3.29Å
56G92.5Very high80.1Confident4 Ų456.8 Ų56.84%0.04133%0.328CS..THydrogen-bonded Turntrans91.3-0.2-17600000115L54 F58 A154 T155 L156L54-G56 PolarHBondContact O-N 3.45Å; G56-F58 WeakPolarHBondContact O-CD2 3.38Å; G56-A154 CarbonylContact O-C 3.52Å; G56-A154 WeakPolarHBondContact O-CA 3.47Å; G56-T155 PolarHBondContact O-N 3.49Å; G56-T155 PolarHBondContact O-OG1 2.93Å; G56-L156 PolarHBondContact O-N 3.18Å
57V96Very high82Confident0 Ų054.5 Ų54.50%031%0.314CS..EExtended strand (participates in β ladder)trans-91.9121.6172.2-173.30000109.8I41 V51 L54 V101 L156 L158I41-V57 HydrophobicContact CD1-CG1 4.26Å; V51-V57 HydrophobicContact CG1-CG2 4.19Å; L54-V57 WeakPolarHBondContact O-CB 3.4Å; L54-V57 PolarHBondContact O-N 3.23Å; L54-V57 VanDerWaalsContact O-N 3.08Å; V57-V101 HydrophobicContact CB-CB 4.21Å; V57-V101 HydrophobicContact CB-CG2 4.36Å; V57-V101 HydrophobicContact CG1-CB 4.2Å; V57-V101 HydrophobicContact CG1-CG2 3.88Å; V57-V101 WeakPolarHBondContact O-CB 3.38Å; V57-V101 PolarHBondContact O-N 3.17Å; V57-L156 WeakPolarHBondContact CA-O 3.27Å; V57-L156 HydrophobicContact CG1-CB 4.42Å; V57-L156 HydrophobicContact CG1-CD2 4.29Å; V57-L156 HydrophobicContact CG2-CB 4.26Å; V57-L158 HydrophobicContact CG1-CD1 3.96Å; V57-L158 HydrophobicContact CG1-CD2 4.26Å; V57-L158 HydrophobicContact CG1-CG 3.97Å
58F98.2Very high84.1Confident1 Ų156.3 Ų56.30%0.00430%0.303CS..EExtended strand (participates in β ladder)trans-124.2134.9-178.3-70.2-96.9000111.4G56 V60 I99 E100 L149 W152 A154 L156 L157 L158G56-F58 WeakPolarHBondContact O-CD2 3.38Å; F58-V60 HydrophobicContact CB-CG2 4.46Å; F58-I99 CarbonylContact C-O 3.55Å; F58-I99 WeakPolarHBondContact CA-O 3.38Å; F58-E100 HydrophobicContact CD1-CB 3.95Å; F58-E100 HydrophobicContact CD1-CG 4.48Å; F58-E100 HydrophobicContact CE1-CB 3.54Å; F58-E100 HydrophobicContact CE1-CG 3.9Å; F58-E100 HydrophobicContact CZ-CB 4.12Å; F58-E100 HydrophobicContact CZ-CG 3.95Å; F58-L149 HydrophobicContact CB-CD2 4.24Å; F58-L149 HydrophobicContact CD1-CD2 4.19Å; F58-L149 HydrophobicContact CD2-CD2 4.25Å; F58-L149 HydrophobicContact CG-CD2 3.98Å; F58-W152 AromaticContact CE1-CE3 3.8Å; F58-W152 HydrophobicContact CE1-CE3 3.8Å; F58-W152 HydrophobicContact CE1-CZ3 4.37Å; F58-W152 HydrophobicContact CE2-CB 4.4Å; F58-W152 HydrophobicContact CZ-CB 3.87Å; F58-W152 HydrophobicContact CZ-CE3 4Å; F58-A154 HydrophobicContact CD2-CB 3.52Å; F58-A154 HydrophobicContact CE2-CB 3.67Å; F58-L156 PolarHBondContact N-O 2.64Å; F58-L157 HydrophobicContact CB-CD2 4.07Å; F58-L157 CarbonylContact O-C 3.52Å; F58-L157 WeakPolarHBondContact O-CA 3.24Å; F58-L158 PolarHBondContact O-N 2.87Å
59V98.6Very high86.3Confident0 Ų052.3 Ų52.30%029%0.29CS..EExtended strand (participates in β ladder)trans-73.8135.8158.11700000108L33 I37 L61 T98 I99 V101 L158 L189L33-V59 HydrophobicContact CD2-CG1 4.47Å; L33-V59 HydrophobicContact CD2-CG2 4.49Å; I37-V59 HydrophobicContact CD1-CG2 3.47Å; I37-V59 VanDerWaalsContact CD1-CG2 3.47Å; V59-L61 HydrophobicContact CG1-CD1 4.48Å; V59-L61 HydrophobicContact CG1-CD2 4.42Å; V59-L61 HydrophobicContact CG1-CG 4.03Å; V59-T98 CarbonylContact O-C 3.59Å; V59-T98 WeakPolarHBondContact O-CA 3.42Å; V59-I99 HydrophobicContact CB-CB 4.18Å; V59-I99 HydrophobicContact CB-CG1 4.46Å; V59-I99 HydrophobicContact CG1-CD1 4.37Å; V59-I99 PolarHBondContact N-O 3.31Å; V59-I99 PolarHBondContact O-N 2.71Å; V59-V101 HydrophobicContact CG2-CG2 4.11Å; V59-L158 HydrophobicContact CG2-CB 4.43Å; V59-L158 HydrophobicContact CG2-CD1 4.34Å; V59-L189 HydrophobicContact CG1-CD1 3.95Å; V59-L189 HydrophobicContact CG1-CD2 3.76Å; V59-L189 HydrophobicContact CG2-CD1 3.96Å
60V98.7Very high88.4Confident0 Ų050.5 Ų50.50%029%0.289CS..EExtended strand (participates in β ladder)trans-128.4119.3173.8-1700000109.8F58 T98 I145 L157 L158 A174 F176F58-V60 HydrophobicContact CB-CG2 4.46Å; V60-T98 HydrophobicContact CB-CG2 4.47Å; V60-T98 HydrophobicContact CG1-CG2 4.14Å; V60-T98 HydrophobicContact CG2-CG2 4.09Å; V60-I145 HydrophobicContact CG1-CD1 4.3Å; V60-L157 HydrophobicContact CG2-CB 4.05Å; V60-L157 HydrophobicContact CG2-CD1 4.29Å; V60-L157 HydrophobicContact CG2-CD2 3.91Å; V60-L157 HydrophobicContact CG2-CG 4.29Å; V60-L158 PolarHBondContact N-O 3.22Å; V60-A174 HydrophobicContact CG1-CB 4.08Å; V60-F176 HydrophobicContact CG1-CE1 3.99Å
61L98.7Very high90.3Very high2 Ų254.7 Ų54.71%0.0132%0.316CS..EExtended strand (participates in β ladder)trans-117.3143.8177.1-60.8177.2000110.1V59 F84 A87 F88 Y96 G97 L160 L189 I193V59-L61 HydrophobicContact CG1-CD1 4.48Å; V59-L61 HydrophobicContact CG1-CD2 4.42Å; V59-L61 HydrophobicContact CG1-CG 4.03Å; L61-F84 HydrophobicContact CB-CD2 3.81Å; L61-F84 HydrophobicContact CB-CE2 4.37Å; L61-A87 HydrophobicContact CD1-CB 3.83Å; L61-F88 HydrophobicContact CD1-CE2 4.29Å; L61-Y96 WeakPolarHBondContact O-CA 3.32Å; L61-G97 PolarHBondContact N-O 2.72Å; L61-G97 PolarHBondContact O-N 2.99Å; L61-L160 HydrophobicContact CD2-CB 3.86Å; L61-L160 HydrophobicContact CD2-CD2 4.34Å; L61-L189 HydrophobicContact CD2-CD2 3.86Å; L61-I193 HydrophobicContact CD1-CD1 4.26Å
62Q98.5Very high92.3Very high45 Ų4554.9 Ų54.921%0.2132%0.319CS..EExtended strand (participates in β ladder)trans-108.7128.4172.7176.8173.2-3.600108.3Y96 A174Q62-Y96 HydrophobicContact CB-CD1 3.83Å; Q62-Y96 HydrophobicContact CB-CE1 3.69Å; Q62-Y96 HydrophobicContact CG-CD1 4.07Å; Q62-Y96 HydrophobicContact CG-CE1 3.59Å; Q62-Y96 PolarHBondContact NE2-OH 2.88Å; Q62-A174 HydrophobicContact CB-CB 3.82Å
63G98.5Very high94.2Very high6 Ų654 Ų546%0.06232%0.32CS..  trans-70.4170.2173.600000112.2C95G63-C95 WeakPolarHBondContact CA-O 3.46Å; G63-C95 PolarHBondContact N-O 3.08Å
64G97.7Very high95.3Very high16 Ų1651.2 Ų51.217%0.16531%0.311CS..  trans-68.2155.5173.400000112F78 P93 D94G64-F78 WeakPolarHBondContact O-CE2 3.26Å; G64-F78 WeakPolarHBondContact O-CZ 3.44Å; G64-P93 CarbonylContact O-C 3.58Å; G64-P93 WeakPolarHBondContact O-CA 3.42Å; G64-D94 PolarHBondContact O-N 2.76Å
65T96.8Very high95.7Very high74 Ų7452.1 Ų52.145%0.45432%0.324SS..  trans-110.6151.6176.2-65.50000109.5D94T65-D94 WeakPolarHBondContact CA-OD1 3.48Å; T65-D94 WeakPolarHBondContact CB-OD1 3.27Å; T65-D94 WeakPolarHBondContact CG2-OD1 3.33Å; T65-D94 PolarHBondContact OG1-OD1 3.04Å
66N94.9Very high96.2Very high55 Ų5552.4 Ų52.429%0.29432%0.321SS..  trans-55.3141.5170.4-79.4-36.7000111.4F68N66-F68 HydrophobicContact CB-CE2 4.12Å; N66-F68 HydrophobicContact CB-CZ 4.43Å
67T95.8Very high96.4Very high83 Ų8356 Ų5651%0.50934%0.342SS..  trans-118.3146.6173.261.30000109.5N76T67-N76 PolarHBondContact O-N 2.88Å; T67-N76 PolarHBondContact O-ND2 3.46Å; T67-N76 PolarHBondContact OG1-ND2 3.16Å
68F96.9Very high96.5Very high105 Ų10558.1 Ų58.146%0.46135%0.351SS..BIsolated β-bridgetrans-116.7157.4-175.2-64.9-95000111.1N66 G70 A74 A75N66-F68 HydrophobicContact CB-CE2 4.12Å; N66-F68 HydrophobicContact CB-CZ 4.43Å; F68-G70 PolarHBondContact O-N 2.61Å; F68-G70 VanDerWaalsContact O-N 3.09Å; F68-A74 WeakPolarHBondContact CA-O 3.43Å; F68-A75 HydrophobicContact CD1-CB 4.07Å; F68-A75 HydrophobicContact CE1-CB 3.87Å; F68-A75 HydrophobicContact CZ-CB 4.46Å
69L94.9Very high96.5Very high101 Ų10161 Ų6153%0.52936%0.362SS..SBendtrans-74.297.2175.3-64.8-180000110D71 S72 A74 N76L69-D71 PolarHBondContact O-N 3.43Å; L69-S72 WeakPolarHBondContact O-CB 3.22Å; L69-S72 PolarHBondContact O-N 2.83Å; L69-S72 VanDerWaalsContact O-N 3.12Å; L69-S72 PolarHBondContact O-OG 2.88Å; L69-A74 HydrophobicContact CB-CB 4.43Å; L69-A74 HydrophobicContact CD1-CB 4Å; L69-A74 HydrophobicContact CG-CB 4.36Å; L69-A74 PolarHBondContact N-O 2.9Å; L69-N76 VanDerWaalsContact CD2-OD1 3.27Å; L69-N76 WeakPolarHBondContact CD2-OD1 3.28Å
70G93.9Very high96.5Very high75 Ų7561.2 Ų61.277%0.77336%0.363SS*.THydrogen-bonded Turntrans63.1-124.2-178.300000111.4F68F68-G70 PolarHBondContact O-N 2.61Å; F68-G70 VanDerWaalsContact O-N 3.09Å
71D93.9Very high96.4Very high172 Ų17263 Ų6392%0.9237%0.371SS*.THydrogen-bonded Turntrans-101.59.9176.462.4-23.4000113.5L69L69-D71 PolarHBondContact O-N 3.43Å
72S96.4Very high96.4Very high49 Ų4963.2 Ų63.234%0.34337%0.373SS..SBendtrans-81.5169.7177740000113.5L69 A74L69-S72 WeakPolarHBondContact O-CB 3.22Å; L69-S72 PolarHBondContact O-N 2.83Å; L69-S72 VanDerWaalsContact O-N 3.12Å; L69-S72 PolarHBondContact O-OG 2.88Å; S72-A74 VanDerWaalsContact C-N 3.31Å; S72-A74 PolarHBondContact OG-N 2.79Å
73D93.8Very high96.5Very high149 Ų14961.5 Ų61.580%0.79737%0.365SS*.SBendtrans-84.70.2173.866.3-20000113.7A75D73-A75 PolarHBondContact O-N 3.18Å
74A95.4Very high96.5Very high40 Ų4061.2 Ų61.233%0.33136%0.362SS..  trans-77.7105.4178.300000111F68 L69 S72F68-A74 WeakPolarHBondContact CA-O 3.43Å; L69-A74 HydrophobicContact CB-CB 4.43Å; L69-A74 HydrophobicContact CD1-CB 4Å; L69-A74 HydrophobicContact CG-CB 4.36Å; L69-A74 PolarHBondContact N-O 2.9Å; S72-A74 VanDerWaalsContact C-N 3.31Å; S72-A74 PolarHBondContact OG-N 2.79Å
75A94.2Very high96.5Very high57 Ų5760.5 Ų60.547%0.47135%0.354SS..BIsolated β-bridgetrans-72.7139.1175.700000112F68 D73F68-A75 HydrophobicContact CD1-CB 4.07Å; F68-A75 HydrophobicContact CE1-CB 3.87Å; F68-A75 HydrophobicContact CZ-CB 4.46Å; D73-A75 PolarHBondContact O-N 3.18Å
76N95.9Very high96.6Very high67 Ų6757 Ų5736%0.35833%0.332SS..PPolyproline II helixtrans-66.8151.3161.9-67.6-55.2000109.6T67 L69 F78T67-N76 PolarHBondContact O-N 2.88Å; T67-N76 PolarHBondContact O-ND2 3.46Å; T67-N76 PolarHBondContact OG1-ND2 3.16Å; L69-N76 VanDerWaalsContact CD2-OD1 3.27Å; L69-N76 WeakPolarHBondContact CD2-OD1 3.28Å; N76-F78 PolarHBondContact O-N 3.42Å
77V96.5Very high96.8Very high80 Ų8054.4 Ų54.449%0.48532%0.318SS..PPolyproline II helixtrans-61.6116.8172.7-174.50000108.8H251V77-H251 VanDerWaalsContact CG1-CE1 3.46Å; V77-H251 WeakPolarHBondContact CG1-CE1 2.97Å
78F97.7Very high97Very high43 Ų4350.4 Ų50.419%0.18929%0.294CS..PPolyproline II helixtrans-64.5134.4-177.9-179.3-107.9000112G64 N76 Q80 L91 P93 H251G64-F78 WeakPolarHBondContact O-CE2 3.26Å; G64-F78 WeakPolarHBondContact O-CZ 3.44Å; N76-F78 PolarHBondContact O-N 3.42Å; F78-Q80 HydrophobicContact CE1-CB 4.27Å; F78-Q80 HydrophobicContact CZ-CB 4.44Å; F78-L91 VanDerWaalsContact CD1-O 3.27Å; F78-L91 WeakPolarHBondContact CD1-O 3.39Å; F78-L91 VanDerWaalsContact CE1-O 3.26Å; F78-L91 WeakPolarHBondContact CE1-O 3.4Å; F78-P93 HydrophobicContact CD1-CB 4.27Å; F78-P93 HydrophobicContact CD2-CB 3.97Å; F78-P93 HydrophobicContact CE1-CB 4.05Å; F78-P93 HydrophobicContact CE2-CB 3.74Å; F78-P93 HydrophobicContact CG-CB 4.23Å; F78-P93 HydrophobicContact CZ-CB 3.78Å; F78-H251 PolarHBondContact O-NE2 2.97Å
79R98Very high97Very high63 Ų6345.4 Ų45.424%0.23827%0.272CS..  trans-132126.9170.4-168.7-69.9-165170.52.9106.5S82 E293 C296 C387R79-S82 PolarHBondContact NH1-OG 3.49Å; R79-E293 WeakPolarHBondContact CG-OE1 3.43Å; R79-E293 IonicContact CZ-OE2 3.42Å; R79-E293 IonicContact NE-OE1 2.64Å; R79-E293 PolarHBondContact NE-OE1 2.97Å; R79-E293 VanDerWaalsContact NE-OE1 3.12Å; R79-E293 IonicContact NE-OE2 3.63Å; R79-E293 PolarHBondContact NE-OE2 3.14Å; R79-E293 VanDerWaalsContact NE-OE2 3.13Å; R79-E293 IonicContact NH2-OE2 3.46Å; R79-E293 PolarHBondContact NH2-OE2 3.1Å; R79-C296 PolarHBondContact NH2-O 3.47Å; R79-C387 PolarHBondContact NH2-O 3.2Å
80Q98.5Very high97.2Very high4 Ų440.6 Ų40.62%0.01925%0.247CC..  trans-60.5154-174.5-172.556-93.700113.1F78 F84 H85 V90 E92F78-Q80 HydrophobicContact CE1-CB 4.27Å; F78-Q80 HydrophobicContact CZ-CB 4.44Å; Q80-F84 VanDerWaalsContact CD-CD1 3.5Å; Q80-F84 HydrophobicContact CG-CB 4.45Å; Q80-F84 HydrophobicContact CG-CD1 3.96Å; Q80-H85 HydrophobicContact CB-CB 4.12Å; Q80-H85 HydrophobicContact CG-CB 3.78Å; Q80-V90 VanDerWaalsContact CG-O 3.3Å; Q80-V90 WeakPolarHBondContact CG-O 3.37Å; Q80-V90 PolarHBondContact NE2-O 3.05Å; Q80-V90 VanDerWaalsContact NE2-O 3.09Å; Q80-E92 PolarHBondContact NE2-O 3.26Å; Q80-E92 VanDerWaalsContact NE2-O 3.09Å
81E98.4Very high97.4Very high37 Ų3740 Ų4017%0.17323%0.226CC..  trans-64.6132.3168.2-168.3-69.8122.500110.3F83 F84 H85 P172E81-F83 VanDerWaalsContact CD-N 3.3Å; E81-F83 PolarHBondContact O-N 3.36Å; E81-F83 VanDerWaalsContact OE1-CD2 3.29Å; E81-F83 WeakPolarHBondContact OE1-CD2 3.41Å; E81-F83 PolarHBondContact OE1-N 2.99Å; E81-F83 WeakPolarHBondContact OE2-CA 3.39Å; E81-F83 WeakPolarHBondContact OE2-CB 3.44Å; E81-F83 PolarHBondContact OE2-N 3.36Å; E81-F84 HydrophobicContact CB-CB 4.33Å; E81-F84 PolarHBondContact O-N 3.38Å; E81-F84 PolarHBondContact OE2-N 3.32Å; E81-H85 WeakPolarHBondContact O-CB 3.41Å; E81-H85 PolarHBondContact O-N 2.87Å; E81-P172 HydrophobicContact CG-CG 3.84Å
82S98.7Very high97.5Very high7 Ų734 Ų345%0.04919%0.192CC..Hα-helixtrans-63-38.3-166.8-58.70000114.8R79 W86 D388R79-S82 PolarHBondContact NH1-OG 3.49Å; S82-W86 VanDerWaalsContact O-CB 3.24Å; S82-W86 WeakPolarHBondContact O-CB 3.47Å; S82-W86 PolarHBondContact O-N 3.34Å; S82-D388 WeakPolarHBondContact CB-OD1 3.4Å; S82-D388 PolarHBondContact OG-OD1 2.91Å
83F98.8Very high97.5Very high9 Ų933.1 Ų33.14%0.03919%0.185CC..Hα-helixtrans-71-39.9176.9-68.4-77.8000112E81 W86 A87 L160 T171 I193 V194 V392E81-F83 VanDerWaalsContact CD-N 3.3Å; E81-F83 PolarHBondContact O-N 3.36Å; E81-F83 VanDerWaalsContact OE1-CD2 3.29Å; E81-F83 WeakPolarHBondContact OE1-CD2 3.41Å; E81-F83 PolarHBondContact OE1-N 2.99Å; E81-F83 WeakPolarHBondContact OE2-CA 3.39Å; E81-F83 WeakPolarHBondContact OE2-CB 3.44Å; E81-F83 PolarHBondContact OE2-N 3.36Å; F83-W86 PolarHBondContact O-N 3.41Å; F83-A87 PolarHBondContact O-N 3.29Å; F83-A87 VanDerWaalsContact O-N 3.17Å; F83-L160 HydrophobicContact CB-CD2 3.77Å; F83-L160 HydrophobicContact CD2-CD2 3.52Å; F83-L160 HydrophobicContact CE2-CD2 4.2Å; F83-L160 HydrophobicContact CG-CD2 3.72Å; F83-T171 HydrophobicContact CE2-CG2 3.97Å; F83-I193 HydrophobicContact CB-CD1 4.18Å; F83-I193 HydrophobicContact CD1-CB 4.49Å; F83-I193 HydrophobicContact CD1-CD1 3.87Å; F83-I193 HydrophobicContact CD1-CG1 3.97Å; F83-I193 HydrophobicContact CD1-CG2 3.78Å; F83-I193 HydrophobicContact CE1-CG2 3.77Å; F83-I193 HydrophobicContact CG-CD1 4.47Å; F83-V194 HydrophobicContact CE1-CG2 3.66Å; F83-V194 HydrophobicContact CZ-CG2 3.61Å; F83-V392 HydrophobicContact CE1-CG2 4.17Å; F83-V392 HydrophobicContact CE2-CG1 4.34Å; F83-V392 HydrophobicContact CZ-CB 4.33Å; F83-V392 HydrophobicContact CZ-CG1 3.83Å; F83-V392 HydrophobicContact CZ-CG2 4.16Å
84F98.8Very high97.6Very high0 Ų028.7 Ų28.70%016%0.161CC..Hα-helixtrans-63.1-47174.1-167.2-97.4000111.6L61 Q80 E81 W86 A87 F88 V90 C95 L108L61-F84 HydrophobicContact CB-CD2 3.81Å; L61-F84 HydrophobicContact CB-CE2 4.37Å; Q80-F84 VanDerWaalsContact CD-CD1 3.5Å; Q80-F84 HydrophobicContact CG-CB 4.45Å; Q80-F84 HydrophobicContact CG-CD1 3.96Å; E81-F84 HydrophobicContact CB-CB 4.33Å; E81-F84 PolarHBondContact O-N 3.38Å; E81-F84 PolarHBondContact OE2-N 3.32Å; F84-W86 PolarHBondContact O-N 3.18Å; F84-A87 PolarHBondContact O-N 2.86Å; F84-F88 HydrophobicContact CD2-CD2 4.2Å; F84-F88 HydrophobicContact CE2-CD2 4.04Å; F84-F88 HydrophobicContact CE2-CE2 4.39Å; F84-F88 HydrophobicContact CZ-CD2 4.32Å; F84-F88 PolarHBondContact O-N 3.34Å; F84-V90 HydrophobicContact CD1-CB 4.37Å; F84-V90 HydrophobicContact CE1-CB 3.71Å; F84-V90 HydrophobicContact CE1-CG1 3.95Å; F84-V90 HydrophobicContact CE1-CG2 4.27Å; F84-C95 HydrophobicContact CE1-CB 4.02Å; F84-C95 HydrophobicContact CZ-CB 3.77Å; F84-L108 HydrophobicContact CZ-CD1 3.94Å
85H98.8Very high97.8Very high0 Ų026.8 Ų26.80%015%0.146CC..Hα-helixtrans-58.2-48.5174.5175.979.4000111.3H26 Q80 E81 A87 F88 G89 Y295 C296 Y297H26-H85 AromaticContact CE1-NE2 3.85Å; H26-H85 PolarHBondContact CE1-O 3.03Å; H26-H85 VanDerWaalsContact CE1-O 3.23Å; H26-H85 PolarHBondContact ND1-O 2.82Å; H26-H85 VanDerWaalsContact ND1-O 3.13Å; Q80-H85 HydrophobicContact CB-CB 4.12Å; Q80-H85 HydrophobicContact CG-CB 3.78Å; E81-H85 WeakPolarHBondContact O-CB 3.41Å; E81-H85 PolarHBondContact O-N 2.87Å; H85-A87 PolarHBondContact O-N 2.93Å; H85-F88 PolarHBondContact O-N 2.93Å; H85-G89 WeakPolarHBondContact O-CA 3.46Å; H85-G89 PolarHBondContact O-N 3.03Å; H85-Y295 AromaticContact CE1-CD1 3.71Å; H85-Y295 AromaticContact CE1-CD2 3.89Å; H85-Y295 AromaticContact CE1-CE1 3.63Å; H85-Y295 AromaticContact CE1-CE2 3.76Å; H85-Y295 AromaticContact CE1-CG 3.86Å; H85-Y295 AromaticContact CE1-CZ 3.64Å; H85-Y295 PolarHBondContact CE1-O 3.41Å; H85-Y295 AromaticContact NE2-CD1 3.93Å; H85-Y295 AromaticContact NE2-CE1 3.96Å; H85-Y295 PolarHBondContact NE2-O 3.5Å; H85-C296 HydrophobicContact CB-CB 4.36Å; H85-C296 VanDerWaalsContact CD2-CB 3.47Å; H85-C296 WeakPolarHBondContact CD2-CB 3.36Å; H85-Y297 AromaticContact NE2-CE2 3.62Å
86W98.8Very high98Very high1 Ų125.6 Ų25.60%0.00413%0.129CC..Hα-helixtrans-55.7-40.1-179.6-179.682.8000112.4H26 N29 L33 S82 F83 F84 I193 C196 R197 E204H26-W86 PolarHBondContact ND1-O 3.14Å; H26-W86 VanDerWaalsContact ND1-O 3.11Å; N29-W86 HydrophobicContact CB-CD2 4.05Å; N29-W86 HydrophobicContact CB-CE3 4.13Å; N29-W86 HydrophobicContact CB-CH2 3.56Å; N29-W86 HydrophobicContact CB-CZ2 3.45Å; N29-W86 VanDerWaalsContact CB-CZ2 3.45Å; N29-W86 HydrophobicContact CB-CZ3 3.91Å; N29-W86 VanDerWaalsContact ND2-CE2 3.28Å; N29-W86 PolarHBondContact ND2-NE1 3.12Å; N29-W86 PolarHBondContact ND2-O 3.43Å; N29-W86 VanDerWaalsContact O-CH2 3.23Å; N29-W86 WeakPolarHBondContact O-CH2 3.41Å; N29-W86 WeakPolarHBondContact OD1-CZ2 3.45Å; L33-W86 HydrophobicContact CB-CH2 4.25Å; L33-W86 HydrophobicContact CB-CZ3 4.17Å; L33-W86 HydrophobicContact CD2-CZ3 4.35Å; S82-W86 VanDerWaalsContact O-CB 3.24Å; S82-W86 WeakPolarHBondContact O-CB 3.47Å; S82-W86 PolarHBondContact O-N 3.34Å; F83-W86 PolarHBondContact O-N 3.41Å; F84-W86 PolarHBondContact O-N 3.18Å; W86-I193 HydrophobicContact CE3-CD1 4.11Å; W86-I193 HydrophobicContact CE3-CG1 3.94Å; W86-I193 HydrophobicContact CZ3-CD1 4.27Å; W86-I193 HydrophobicContact CZ3-CG1 3.85Å; W86-C196 HydrophobicContact CH2-CB 3.44Å; W86-C196 VanDerWaalsContact CH2-CB 3.44Å; W86-C196 HydrophobicContact CZ2-CB 3.54Å; W86-C196 HydrophobicContact CZ3-CB 4.4Å; W86-R197 HydrophobicContact CB-CG 4.48Å; W86-R197 HydrophobicContact CD2-CG 3.85Å; W86-R197 HydrophobicContact CG-CG 3.74Å; W86-E204 PolarHBondContact NE1-OE1 3.12Å
87A98.8Very high98.1Very high0 Ų022.4 Ų22.40%011%0.112CC..Hα-helixtrans-80.8-32.1-178.900000114.7R30 L61 F83 F84 H85R30-A87 WeakPolarHBondContact CD-O 3.25Å; R30-A87 HydrophobicContact CG-CB 4.47Å; R30-A87 WeakPolarHBondContact CG-O 3.05Å; R30-A87 PolarHBondContact NH1-O 3.36Å; L61-A87 HydrophobicContact CD1-CB 3.83Å; F83-A87 PolarHBondContact O-N 3.29Å; F83-A87 VanDerWaalsContact O-N 3.17Å; F84-A87 PolarHBondContact O-N 2.86Å; H85-A87 PolarHBondContact O-N 2.93Å
88F98.8Very high98.2Very high0 Ų018.6 Ų18.60%09%0.089CC..Hα-helixtrans-128.8-21.5-169.2-67.7-80.3000115.9L61 F84 H85 V90 G97 I99 V136L61-F88 HydrophobicContact CD1-CE2 4.29Å; F84-F88 HydrophobicContact CD2-CD2 4.2Å; F84-F88 HydrophobicContact CE2-CD2 4.04Å; F84-F88 HydrophobicContact CE2-CE2 4.39Å; F84-F88 HydrophobicContact CZ-CD2 4.32Å; F84-F88 PolarHBondContact O-N 3.34Å; H85-F88 PolarHBondContact O-N 2.93Å; F88-V90 HydrophobicContact CB-CB 4.45Å; F88-V90 HydrophobicContact CB-CG2 3.79Å; F88-V90 PolarHBondContact O-N 3.35Å; F88-G97 VanDerWaalsContact CZ-CA 3.5Å; F88-I99 HydrophobicContact CE2-CG1 4.47Å; F88-I99 HydrophobicContact CZ-CD1 4.29Å; F88-I99 HydrophobicContact CZ-CG1 3.8Å; F88-V136 HydrophobicContact CD1-CG1 4.02Å; F88-V136 HydrophobicContact CE1-CG1 4.38Å
89G98.6Very high98.3Very high0 Ų016.5 Ų16.50%08%0.08CC..  trans72.34.6-177.800000115.4H26 H85 Y134 Y295H26-G89 WeakPolarHBondContact CE1-CA 3.12Å; H26-G89 PolarHBondContact ND1-N 3.39Å; H26-G89 WeakPolarHBondContact NE2-CA 3.48Å; H85-G89 WeakPolarHBondContact O-CA 3.46Å; H85-G89 PolarHBondContact O-N 3.03Å; G89-Y134 WeakPolarHBondContact O-CE1 3.44Å; G89-Y295 WeakPolarHBondContact CA-OH 3.44Å; G89-Y295 PolarHBondContact O-OH 3.1Å
90V98.6Very high98.3Very high0 Ų014.9 Ų14.90%08%0.075CC..  trans-68.3134.8-172.3171.30000111.5Q80 F84 F88 E92 C95 L108 Y134Q80-V90 VanDerWaalsContact CG-O 3.3Å; Q80-V90 WeakPolarHBondContact CG-O 3.37Å; Q80-V90 PolarHBondContact NE2-O 3.05Å; Q80-V90 VanDerWaalsContact NE2-O 3.09Å; F84-V90 HydrophobicContact CD1-CB 4.37Å; F84-V90 HydrophobicContact CE1-CB 3.71Å; F84-V90 HydrophobicContact CE1-CG1 3.95Å; F84-V90 HydrophobicContact CE1-CG2 4.27Å; F88-V90 HydrophobicContact CB-CB 4.45Å; F88-V90 HydrophobicContact CB-CG2 3.79Å; F88-V90 PolarHBondContact O-N 3.35Å; V90-E92 HydrophobicContact CG1-CB 4.38Å; V90-C95 HydrophobicContact CG1-CB 4.27Å; V90-L108 HydrophobicContact CG2-CD1 3.68Å; V90-L108 HydrophobicContact CG2-CD2 3.58Å; V90-L108 HydrophobicContact CG2-CG 4.31Å; V90-Y134 VanDerWaalsContact CA-CE1 3.49Å; V90-Y134 HydrophobicContact CB-CE1 4.34Å; V90-Y134 HydrophobicContact CB-CE2 4.41Å; V90-Y134 HydrophobicContact CG1-CE2 4.36Å; V90-Y134 HydrophobicContact CG2-CD1 3.87Å; V90-Y134 HydrophobicContact CG2-CD2 3.81Å; V90-Y134 HydrophobicContact CG2-CE1 4.05Å; V90-Y134 HydrophobicContact CG2-CE2 3.93Å; V90-Y134 HydrophobicContact CG2-CG 3.78Å
91L97.1Very high98.2Very high63 Ų6314.7 Ų14.733%0.337%0.074SC..  trans-105.9-15.4-175.8-60.5-178.2000112.5F13 F78 Y134 Y295F13-L91 HydrophobicContact CD2-CD1 3.87Å; F13-L91 HydrophobicContact CE2-CD1 3.56Å; F78-L91 VanDerWaalsContact CD1-O 3.27Å; F78-L91 WeakPolarHBondContact CD1-O 3.39Å; F78-L91 VanDerWaalsContact CE1-O 3.26Å; F78-L91 WeakPolarHBondContact CE1-O 3.4Å; L91-Y134 PolarHBondContact N-OH 2.72Å; L91-Y295 HydrophobicContact CD1-CE2 4.31Å; L91-Y295 HydrophobicContact CD2-CD2 4Å; L91-Y295 HydrophobicContact CD2-CE2 3.84Å; L91-Y295 HydrophobicContact CG-CE2 4.24Å
92E96.5Very high98Very high46 Ų4614.4 Ų14.422%0.2158%0.078CC..SBendtrans-77.2143.9175.6-63.476-168.900111.2Q80 V90 F130 K133 Y134Q80-E92 PolarHBondContact NE2-O 3.26Å; Q80-E92 VanDerWaalsContact NE2-O 3.09Å; V90-E92 HydrophobicContact CG1-CB 4.38Å; E92-F130 HydrophobicContact CG-CE1 4.11Å; E92-F130 HydrophobicContact CG-CZ 4.46Å; E92-K133 IonicContact OE1-NZ 2.99Å; E92-K133 PolarHBondContact OE1-NZ 2.66Å; E92-K133 IonicContact OE2-NZ 3.07Å; E92-Y134 PolarHBondContact OE1-OH 3.04Å; E92-Y134 WeakPolarHBondContact OE2-CE2 3.48Å; E92-Y134 PolarHBondContact OE2-OH 3.22Å
93P96.3Very high97.8Very high30 Ų3018.1 Ų18.120%0.19510%0.101CC..SBendtrans-74.5170.317533.4-36.3000111.7G64 F78 C95G64-P93 CarbonylContact O-C 3.58Å; G64-P93 WeakPolarHBondContact O-CA 3.42Å; F78-P93 HydrophobicContact CD1-CB 4.27Å; F78-P93 HydrophobicContact CD2-CB 3.97Å; F78-P93 HydrophobicContact CE1-CB 4.05Å; F78-P93 HydrophobicContact CE2-CB 3.74Å; F78-P93 HydrophobicContact CG-CB 4.23Å; F78-P93 HydrophobicContact CZ-CB 3.78Å; P93-C95 PolarHBondContact O-N 2.96Å; P93-C95 PolarHBondContact O-SG 3.31Å; P93-C95 VanDerWaalsContact O-SG 3.34Å
94D96.9Very high97.7Very high55 Ų5518.3 Ų18.329%0.29411%0.106SC..SBendtrans60.621166.7-56.7-53000115.1G64 T65 P111 T142G64-D94 PolarHBondContact O-N 2.76Å; T65-D94 WeakPolarHBondContact CA-OD1 3.48Å; T65-D94 WeakPolarHBondContact CB-OD1 3.27Å; T65-D94 WeakPolarHBondContact CG2-OD1 3.33Å; T65-D94 PolarHBondContact OG1-OD1 3.04Å; D94-P111 HydrophobicContact CB-CB 4.43Å; D94-P111 HydrophobicContact CB-CG 4.31Å; D94-T142 WeakPolarHBondContact O-CG2 3.25Å
95C98.3Very high97.7Very high0 Ų020.4 Ų20.40%011%0.113CC..  trans-87.1158.3176.6-630000112G63 F84 V90 P93 L108 F109G63-C95 WeakPolarHBondContact CA-O 3.46Å; G63-C95 PolarHBondContact N-O 3.08Å; F84-C95 HydrophobicContact CE1-CB 4.02Å; F84-C95 HydrophobicContact CZ-CB 3.77Å; V90-C95 HydrophobicContact CG1-CB 4.27Å; P93-C95 PolarHBondContact O-N 2.96Å; P93-C95 PolarHBondContact O-SG 3.31Å; P93-C95 VanDerWaalsContact O-SG 3.34Å; C95-L108 HydrophobicContact CB-CD1 4.23Å; C95-F109 WeakPolarHBondContact CA-O 3.23Å; C95-F109 WeakPolarHBondContact CB-O 3.29Å
96Y98.8Very high97.7Very high32 Ų3220.4 Ų20.413%0.12511%0.114CC..EExtended strand (participates in β ladder)trans-122.4159.4165.1-64.9-107.3000109.9L61 Q62 L108 F109 T142 I145 K175 F176L61-Y96 WeakPolarHBondContact O-CA 3.32Å; Q62-Y96 HydrophobicContact CB-CD1 3.83Å; Q62-Y96 HydrophobicContact CB-CE1 3.69Å; Q62-Y96 HydrophobicContact CG-CD1 4.07Å; Q62-Y96 HydrophobicContact CG-CE1 3.59Å; Q62-Y96 PolarHBondContact NE2-OH 2.88Å; Y96-L108 WeakPolarHBondContact O-CD1 3.03Å; Y96-F109 PolarHBondContact N-O 3.35Å; Y96-F109 PolarHBondContact O-N 3.33Å; Y96-T142 HydrophobicContact CD2-CG2 3.75Å; Y96-T142 HydrophobicContact CE2-CG2 4.27Å; Y96-I145 HydrophobicContact CD1-CD1 4.07Å; Y96-I145 HydrophobicContact CG-CD1 4.03Å; Y96-K175 WeakPolarHBondContact CE1-O 3.45Å; Y96-K175 PolarHBondContact OH-O 2.84Å; Y96-F176 HydrophobicContact CE1-CB 4.23Å; Y96-F176 HydrophobicContact CE1-CD1 4.35Å
97G98.8Very high97.7Very high0 Ų020.4 Ų20.40%011%0.113CC..EExtended strand (participates in β ladder)trans-142.9131.7-177.900000110L61 F88 T107L61-G97 PolarHBondContact N-O 2.72Å; L61-G97 PolarHBondContact O-N 2.99Å; F88-G97 VanDerWaalsContact CZ-CA 3.5Å; G97-T107 CarbonylContact C-O 3.56Å; G97-T107 WeakPolarHBondContact CA-O 3.22Å
98T98.7Very high97.7Very high0 Ų020.4 Ų20.40%011%0.113CC..EExtended strand (participates in β ladder)trans-119.9146.3176.363.80000111.5V59 V60 S106 T107 F109 L149V59-T98 CarbonylContact O-C 3.59Å; V59-T98 WeakPolarHBondContact O-CA 3.42Å; V60-T98 HydrophobicContact CB-CG2 4.47Å; V60-T98 HydrophobicContact CG1-CG2 4.14Å; V60-T98 HydrophobicContact CG2-CG2 4.09Å; T98-S106 WeakPolarHBondContact O-CA 3.27Å; T98-T107 PolarHBondContact N-O 3.44Å; T98-T107 PolarHBondContact O-N 3.23Å; T98-T107 WeakPolarHBondContact OG1-CB 3.34Å; T98-F109 HydrophobicContact CG2-CD2 4.41Å; T98-F109 HydrophobicContact CG2-CE2 3.65Å; T98-F109 HydrophobicContact CG2-CZ 4.47Å; T98-L149 HydrophobicContact CG2-CD2 4.29Å
99I98.6Very high97.7Very high0 Ų020.4 Ų20.40%011%0.113CC..EExtended strand (participates in β ladder)trans-131.8117.1175.5-41.7168.9000108R30 L33 C34 F58 V59 F88 V101 R105R30-I99 HydrophobicContact CB-CD1 3.96Å; R30-I99 HydrophobicContact CB-CG2 4.4Å; R30-I99 HydrophobicContact CG-CD1 3.61Å; R30-I99 HydrophobicContact CG-CG1 4.33Å; L33-I99 HydrophobicContact CD2-CD1 4.29Å; C34-I99 WeakPolarHBondContact SG-CG2 3.36Å; F58-I99 CarbonylContact C-O 3.55Å; F58-I99 WeakPolarHBondContact CA-O 3.38Å; V59-I99 HydrophobicContact CB-CB 4.18Å; V59-I99 HydrophobicContact CB-CG1 4.46Å; V59-I99 HydrophobicContact CG1-CD1 4.37Å; V59-I99 PolarHBondContact N-O 3.31Å; V59-I99 PolarHBondContact O-N 2.71Å; F88-I99 HydrophobicContact CE2-CG1 4.47Å; F88-I99 HydrophobicContact CZ-CD1 4.29Å; F88-I99 HydrophobicContact CZ-CG1 3.8Å; I99-V101 PolarHBondContact O-N 3.46Å; I99-R105 CarbonylContact C-O 3.58Å; I99-R105 WeakPolarHBondContact CA-O 3.38Å
100E97.9Very high97.6Very high28 Ų2820.7 Ų20.713%0.13112%0.115CC..EExtended strand (participates in β ladder)trans-69.5114.3173.6-175.2172.6-160.500109.2F58 A102 T103 G104 R105F58-E100 HydrophobicContact CD1-CB 3.95Å; F58-E100 HydrophobicContact CD1-CG 4.48Å; F58-E100 HydrophobicContact CE1-CB 3.54Å; F58-E100 HydrophobicContact CE1-CG 3.9Å; F58-E100 HydrophobicContact CZ-CB 4.12Å; F58-E100 HydrophobicContact CZ-CG 3.95Å; E100-A102 VanDerWaalsContact C-N 3.27Å; E100-A102 PolarHBondContact O-N 2.84Å; E100-T103 WeakPolarHBondContact CB-OG1 3.46Å; E100-T103 WeakPolarHBondContact CG-OG1 3.28Å; E100-T103 PolarHBondContact O-N 3.42Å; E100-T103 PolarHBondContact OE2-OG1 3.04Å; E100-G104 WeakPolarHBondContact O-CA 3.3Å; E100-G104 PolarHBondContact O-N 3.48Å; E100-R105 HydrophobicContact CB-CB 4.14Å; E100-R105 PolarHBondContact N-O 3.48Å; E100-R105 IonicContact OE2-CZ 3.46Å; E100-R105 IonicContact OE2-NE 3.55Å; E100-R105 PolarHBondContact OE2-NE 3.25Å; E100-R105 VanDerWaalsContact OE2-NE 3.17Å; E100-R105 IonicContact OE2-NH2 3.48Å
101V97.2Very high97.5Very high0 Ų022.2 Ų22.20%013%0.125CC..THydrogen-bonded Turntrans-62.2-37.6-172.41740000111I37 R38 L54 V57 V59 I99 L158I37-V101 HydrophobicContact CB-CG1 4.22Å; I37-V101 HydrophobicContact CG2-CG1 3.7Å; I37-V101 HydrophobicContact CG2-CG2 4.04Å; R38-V101 HydrophobicContact CG-CG1 3.87Å; R38-V101 PolarHBondContact NE-O 2.92Å; R38-V101 PolarHBondContact NH2-O 3.14Å; L54-V101 HydrophobicContact CD2-CG1 4.32Å; V57-V101 HydrophobicContact CB-CB 4.21Å; V57-V101 HydrophobicContact CB-CG2 4.36Å; V57-V101 HydrophobicContact CG1-CB 4.2Å; V57-V101 HydrophobicContact CG1-CG2 3.88Å; V57-V101 WeakPolarHBondContact O-CB 3.38Å; V57-V101 PolarHBondContact O-N 3.17Å; V59-V101 HydrophobicContact CG2-CG2 4.11Å; I99-V101 PolarHBondContact O-N 3.46Å; V101-L158 HydrophobicContact CG2-CD1 4.15Å
102A94.9Very high97.3Very high32 Ų3225.7 Ų25.726%0.26414%0.137SC..THydrogen-bonded Turntrans-63.5-43.7-178.300000113.2R38 L54 E100R38-A102 PolarHBondContact NE-O 3.2Å; R38-A102 PolarHBondContact NH2-O 3.29Å; L54-A102 HydrophobicContact CB-CB 3.98Å; E100-A102 VanDerWaalsContact C-N 3.27Å; E100-A102 PolarHBondContact O-N 2.84Å
103T95Very high96.9Very high84 Ų8426.8 Ų26.852%0.51514%0.144SC..THydrogen-bonded Turntrans-107.4-23.2-167.959.20000113.3E100 R105E100-T103 WeakPolarHBondContact CB-OG1 3.46Å; E100-T103 WeakPolarHBondContact CG-OG1 3.28Å; E100-T103 PolarHBondContact O-N 3.42Å; E100-T103 PolarHBondContact OE2-OG1 3.04Å; T103-R105 VanDerWaalsContact OG1-CB 3.27Å; T103-R105 WeakPolarHBondContact OG1-CB 3.5Å; T103-R105 PolarHBondContact OG1-N 2.89Å; T103-R105 VanDerWaalsContact OG1-N 3.11Å
104G96.4Very high96.5Very high14 Ų1429.3 Ų29.314%0.14416%0.16CC..  trans81.60.6-167.300000113.5E100 S106E100-G104 WeakPolarHBondContact O-CA 3.3Å; E100-G104 PolarHBondContact O-N 3.48Å; G104-S106 PolarHBondContact O-N 3.38Å
105R97.7Very high96Very high43 Ų4334.2 Ų34.216%0.16218%0.182CC..  trans-57.5125.5179.4-174.8178.664.397.47109.9I99 E100 T103 D137 E138 W152I99-R105 CarbonylContact C-O 3.58Å; I99-R105 WeakPolarHBondContact CA-O 3.38Å; E100-R105 HydrophobicContact CB-CB 4.14Å; E100-R105 PolarHBondContact N-O 3.48Å; E100-R105 IonicContact OE2-CZ 3.46Å; E100-R105 IonicContact OE2-NE 3.55Å; E100-R105 PolarHBondContact OE2-NE 3.25Å; E100-R105 VanDerWaalsContact OE2-NE 3.17Å; E100-R105 IonicContact OE2-NH2 3.48Å; T103-R105 VanDerWaalsContact OG1-CB 3.27Å; T103-R105 WeakPolarHBondContact OG1-CB 3.5Å; T103-R105 PolarHBondContact OG1-N 2.89Å; T103-R105 VanDerWaalsContact OG1-N 3.11Å; R105-D137 HydrophobicContact CG-CB 3.9Å; R105-E138 IonicContact CZ-OE1 3.53Å; R105-E138 VanDerWaalsContact NH1-CD 3.3Å; R105-E138 IonicContact NH1-OE1 2.96Å; R105-E138 PolarHBondContact NH1-OE1 2.93Å; R105-E138 IonicContact NH1-OE2 3.38Å; R105-W152 VanDerWaalsContact NH2-CD2 3.27Å
106S98.5Very high95.5Very high1 Ų140.4 Ų40.41%0.00721%0.21CC..EExtended strand (participates in β ladder)trans-112.6133.6-17356.90000111.2R30 T98 G104 D137 E138R30-S106 PolarHBondContact NE-OG 3.21Å; R30-S106 PolarHBondContact NH2-OG 2.9Å; T98-S106 WeakPolarHBondContact O-CA 3.27Å; G104-S106 PolarHBondContact O-N 3.38Å; S106-D137 PolarHBondContact N-OD2 2.81Å; S106-D137 WeakPolarHBondContact O-CB 3.47Å; S106-D137 PolarHBondContact O-N 3.01Å; S106-D137 PolarHBondContact OG-OD2 3.07Å; S106-E138 PolarHBondContact O-N 3.41Å
107T98.8Very high94.9Very high0 Ų039.8 Ų39.80%021%0.212CC..EExtended strand (participates in β ladder)trans-132.8131.5-179.8-490000110.1G97 T98 F109 E138 W152G97-T107 CarbonylContact C-O 3.56Å; G97-T107 WeakPolarHBondContact CA-O 3.22Å; T98-T107 PolarHBondContact N-O 3.44Å; T98-T107 PolarHBondContact O-N 3.23Å; T98-T107 WeakPolarHBondContact OG1-CB 3.34Å; T107-F109 HydrophobicContact CG2-CE2 3.92Å; T107-F109 HydrophobicContact CG2-CZ 3.93Å; T107-E138 VanDerWaalsContact CA-O 3.32Å; T107-E138 WeakPolarHBondContact CA-O 3.11Å; T107-E138 HydrophobicContact CG2-CB 3.74Å; T107-W152 HydrophobicContact CG2-CH2 3.65Å; T107-W152 HydrophobicContact CG2-CZ2 4.33Å
108L98.8Very high94.3Very high0 Ų042.2 Ų42.20%023%0.227CC..EExtended strand (participates in β ladder)trans-108.3133.7178.7179.466.2000110F84 V90 C95 Y96 I110 Y134 V136 E138 T139 H140F84-L108 HydrophobicContact CZ-CD1 3.94Å; V90-L108 HydrophobicContact CG2-CD1 3.68Å; V90-L108 HydrophobicContact CG2-CD2 3.58Å; V90-L108 HydrophobicContact CG2-CG 4.31Å; C95-L108 HydrophobicContact CB-CD1 4.23Å; Y96-L108 WeakPolarHBondContact O-CD1 3.03Å; L108-I110 HydrophobicContact CD1-CD1 4.42Å; L108-I110 HydrophobicContact CD2-CD1 3.6Å; L108-I110 HydrophobicContact CG-CD1 3.69Å; L108-I110 HydrophobicContact CG-CG1 4.39Å; L108-Y134 HydrophobicContact CD2-CD2 3.72Å; L108-Y134 HydrophobicContact CD2-CE2 4.48Å; L108-Y134 HydrophobicContact CD2-CG 4.28Å; L108-V136 HydrophobicContact CB-CG1 4.46Å; L108-V136 HydrophobicContact CB-CG2 3.99Å; L108-E138 PolarHBondContact N-O 3.37Å; L108-T139 HydrophobicContact CB-CG2 4.09Å; L108-T139 CarbonylContact O-C 3.54Å; L108-T139 WeakPolarHBondContact O-CA 3.45Å; L108-H140 PolarHBondContact O-N 3.49Å
109F98.7Very high93.9Very high0 Ų048.6 Ų48.60%026%0.26CS..EExtended strand (participates in β ladder)trans-109.9116.9178.4-61.9-93.7000109C95 Y96 T98 T107 H140 Y141 T142 I145 C148 W152C95-F109 WeakPolarHBondContact CA-O 3.23Å; C95-F109 WeakPolarHBondContact CB-O 3.29Å; Y96-F109 PolarHBondContact N-O 3.35Å; Y96-F109 PolarHBondContact O-N 3.33Å; T98-F109 HydrophobicContact CG2-CD2 4.41Å; T98-F109 HydrophobicContact CG2-CE2 3.65Å; T98-F109 HydrophobicContact CG2-CZ 4.47Å; T107-F109 HydrophobicContact CG2-CE2 3.92Å; T107-F109 HydrophobicContact CG2-CZ 3.93Å; F109-H140 CarbonylContact C-O 3.1Å; F109-H140 VanDerWaalsContact CA-O 3.26Å; F109-H140 WeakPolarHBondContact CA-O 3.07Å; F109-H140 HydrophobicContact CD1-CB 3.8Å; F109-H140 HydrophobicContact CE1-CB 3.8Å; F109-Y141 WeakPolarHBondContact CD1-O 3.25Å; F109-T142 HydrophobicContact CB-CG2 3.94Å; F109-T142 WeakPolarHBondContact O-CG2 3.08Å; F109-I145 HydrophobicContact CD1-CB 3.88Å; F109-I145 HydrophobicContact CD1-CG1 4.28Å; F109-I145 HydrophobicContact CD2-CD1 4.21Å; F109-I145 HydrophobicContact CD2-CG1 4.24Å; F109-I145 VanDerWaalsContact CE1-CA 3.47Å; F109-I145 HydrophobicContact CE1-CB 3.88Å; F109-I145 HydrophobicContact CE1-CG1 4.06Å; F109-I145 HydrophobicContact CE2-CD1 4.31Å; F109-I145 HydrophobicContact CE2-CG1 4.02Å; F109-I145 HydrophobicContact CG-CB 4.28Å; F109-I145 HydrophobicContact CG-CD1 4.5Å; F109-I145 HydrophobicContact CG-CG1 4.37Å; F109-I145 HydrophobicContact CZ-CB 4.26Å; F109-I145 HydrophobicContact CZ-CG1 3.91Å; F109-C148 HydrophobicContact CE1-CB 3.99Å; F109-C148 HydrophobicContact CZ-CB 4.1Å; F109-W152 AromaticContact CZ-CH2 3.89Å; F109-W152 HydrophobicContact CZ-CH2 3.89Å; F109-W152 HydrophobicContact CZ-CZ3 4.17Å
110I97.7Very high93.5Very high7 Ų757.8 Ų57.84%0.03630%0.296CS..EExtended strand (participates in β ladder)trans-100.7137.2-175.1-57.7-61.1000109.3L108 K112 L127 F130 H140 Y141 T142L108-I110 HydrophobicContact CD1-CD1 4.42Å; L108-I110 HydrophobicContact CD2-CD1 3.6Å; L108-I110 HydrophobicContact CG-CD1 3.69Å; L108-I110 HydrophobicContact CG-CG1 4.39Å; I110-K112 PolarHBondContact O-N 3.16Å; I110-L127 HydrophobicContact CB-CD2 4.24Å; I110-L127 HydrophobicContact CG1-CD2 4.33Å; I110-F130 HydrophobicContact CD1-CB 4.4Å; I110-F130 HydrophobicContact CD1-CD1 3.9Å; I110-F130 HydrophobicContact CD1-CD2 4.29Å; I110-F130 HydrophobicContact CD1-CE1 4.2Å; I110-F130 HydrophobicContact CD1-CG 3.95Å; I110-F130 HydrophobicContact CG1-CB 4.23Å; I110-F130 HydrophobicContact CG1-CD1 4.36Å; I110-F130 HydrophobicContact CG1-CD2 3.87Å; I110-F130 HydrophobicContact CG1-CE2 4.28Å; I110-F130 HydrophobicContact CG1-CG 3.91Å; I110-F130 HydrophobicContact CG2-CD2 4.14Å; I110-F130 HydrophobicContact CG2-CE2 3.73Å; I110-F130 HydrophobicContact CG2-CZ 4.06Å; I110-H140 PolarHBondContact N-O 3.47Å; I110-Y141 CarbonylContact O-C 3.59Å; I110-Y141 VanDerWaalsContact O-CA 3.26Å; I110-Y141 WeakPolarHBondContact O-CA 3.48Å; I110-T142 PolarHBondContact O-N 2.8Å
111P95.8Very high92.9Very high31 Ų3162.4 Ų62.420%0.20132%0.321CS..  trans-59136.9175.824.1-34.3000110.8D94 I113D94-P111 HydrophobicContact CB-CB 4.43Å; D94-P111 HydrophobicContact CB-CG 4.31Å; P111-I113 PolarHBondContact O-N 2.69Å
112K93.1Very high92.5Very high136 Ų13664.1 Ų64.159%0.59134%0.339SS*.  trans-75.9106.4173.5-169.8173.6-175.8173.30109.1I110 Y141I110-K112 PolarHBondContact O-N 3.16Å; K112-Y141 HydrophobicContact CB-CD1 3.77Å; K112-Y141 HydrophobicContact CB-CE1 4.27Å; K112-Y141 HydrophobicContact CB-CG 4.15Å; K112-Y141 HydrophobicContact CG-CD1 4.12Å; K112-Y141 HydrophobicContact CG-CE1 4.19Å; K112-Y141 HydrophobicContact CG-CG 4.44Å
113I88.2Confident92.1Very high70 Ų7071.9 Ų71.936%0.35937%0.37SS..  trans-90.9130.9-178.3-60.9172.1000109.2P111 A117 L124P111-I113 PolarHBondContact O-N 2.69Å; I113-A117 HydrophobicContact CG2-CB 3.38Å; I113-L124 HydrophobicContact CB-CD1 3.95Å; I113-L124 HydrophobicContact CB-CD2 3.96Å; I113-L124 HydrophobicContact CD1-CD2 3.72Å; I113-L124 HydrophobicContact CG1-CD2 4.43Å; I113-L124 HydrophobicContact CG2-CD1 3.99Å; I113-L124 HydrophobicContact CG2-CD2 3.92Å
114P88.4Confident91.6Very high82 Ų8271.3 Ų71.353%0.53236%0.363SS..  trans-58.9145.7174.9-2232.8000112.1E116 A117P114-E116 WeakPolarHBondContact CB-OE2 3.41Å; P114-E116 PolarHBondContact O-N 3.14Å; P114-A117 VanDerWaalsContact O-CB 3.28Å; P114-A117 WeakPolarHBondContact O-CB 3.3Å; P114-A117 PolarHBondContact O-N 2.97Å
115E85.1Confident91.3Very high159 Ų15972.8 Ų72.874%0.74337%0.373SS*.G310 helixtrans-58.9-32.6-178.4-172.9176.3-179.800111.7A117 T118E115-A117 PolarHBondContact O-N 3.41Å; E115-T118 WeakPolarHBondContact O-CB 3.26Å; E115-T118 VanDerWaalsContact O-CG2 3.3Å; E115-T118 WeakPolarHBondContact O-CG2 3.17Å; E115-T118 PolarHBondContact O-N 3.33Å; E115-T118 PolarHBondContact O-OG1 2.9Å
116E87.9Confident91.2Very high129 Ų12973.3 Ų73.360%0.60338%0.384SS*.G310 helixtrans-62-25.4178.3-57.282.3-179.400113P114 T118 I119P114-E116 WeakPolarHBondContact CB-OE2 3.41Å; P114-E116 PolarHBondContact O-N 3.14Å; E116-T118 PolarHBondContact O-N 2.89Å; E116-I119 WeakPolarHBondContact O-CB 3.46Å; E116-I119 PolarHBondContact O-N 3.03Å
117A86.8Confident91.1Very high19 Ų1975.1 Ų75.116%0.15739%0.393CS..G310 helixtrans-68.6-22.3177.300000112.3I113 P114 E115 I119 Y120 D121I113-A117 HydrophobicContact CG2-CB 3.38Å; P114-A117 VanDerWaalsContact O-CB 3.28Å; P114-A117 WeakPolarHBondContact O-CB 3.3Å; P114-A117 PolarHBondContact O-N 2.97Å; E115-A117 PolarHBondContact O-N 3.41Å; A117-I119 PolarHBondContact O-N 3.32Å; A117-I119 VanDerWaalsContact O-N 3.1Å; A117-Y120 PolarHBondContact O-N 3.36Å; A117-D121 PolarHBondContact O-N 2.85Å
118T86.8Confident91Very high52 Ų5280.9 Ų80.932%0.31942%0.42SS..Hα-helixtrans-58.6-26.2177.161.10000113E115 E116 Y120 G122 L124E115-T118 WeakPolarHBondContact O-CB 3.26Å; E115-T118 VanDerWaalsContact O-CG2 3.3Å; E115-T118 WeakPolarHBondContact O-CG2 3.17Å; E115-T118 PolarHBondContact O-N 3.33Å; E115-T118 PolarHBondContact O-OG1 2.9Å; E116-T118 PolarHBondContact O-N 2.89Å; T118-Y120 VanDerWaalsContact C-N 3.25Å; T118-Y120 PolarHBondContact O-N 2.8Å; T118-G122 VanDerWaalsContact CA-O 3.28Å; T118-G122 WeakPolarHBondContact CA-O 3.43Å; T118-G122 CarbonylContact O-C 3.5Å; T118-G122 WeakPolarHBondContact O-CA 3.25Å; T118-G122 PolarHBondContact O-N 3.12Å; T118-L124 HydrophobicContact CG2-CB 4.43Å; T118-L124 HydrophobicContact CG2-CD1 3.67Å; T118-L124 HydrophobicContact CG2-CG 3.66Å
119I90Very high90.8Very high134 Ų13486 Ų8669%0.68744%0.444SS*.Hα-helixtrans-64.9-32.2175.6-61.2173.2000111.2E116 A117E116-I119 WeakPolarHBondContact O-CB 3.46Å; E116-I119 PolarHBondContact O-N 3.03Å; A117-I119 PolarHBondContact O-N 3.32Å; A117-I119 VanDerWaalsContact O-N 3.1Å
120Y90Very high90.8Very high192 Ų19287 Ų8775%0.75345%0.448SS*.Hα-helixtrans-102.9-39.7-173.9-60.4-86.6000112.5A117 T118A117-Y120 PolarHBondContact O-N 3.36Å; T118-Y120 VanDerWaalsContact C-N 3.25Å; T118-Y120 PolarHBondContact O-N 2.8Å
121D85Confident90.7Very high126 Ų12687.6 Ų87.667%0.67445%0.454SS*.Hα-helixtrans-103.1-6.2-170.2-61.2-35000113.4A117A117-D121 PolarHBondContact O-N 2.85Å
122G88Confident90.8Very high35 Ų3591.5 Ų91.536%0.36147%0.467SS..  trans89.1-171.2-177.400000113.8T118 L124T118-G122 VanDerWaalsContact CA-O 3.28Å; T118-G122 WeakPolarHBondContact CA-O 3.43Å; T118-G122 CarbonylContact O-C 3.5Å; T118-G122 WeakPolarHBondContact O-CA 3.25Å; T118-G122 PolarHBondContact O-N 3.12Å; G122-L124 PolarHBondContact O-N 2.86Å
123E86.8Confident91Very high196 Ų19689.4 Ų89.492%0.91646%0.458SS*.PPolyproline II helixtrans-63.2128.3-178.9-68.8-175.7176.500111.6
124L85.7Confident91.4Very high72 Ų7286.2 Ų86.238%0.37744%0.442SS..PPolyproline II helixtrans-77.7125.3176-66.1173.6000110.2I113 T118 G122I113-L124 HydrophobicContact CB-CD1 3.95Å; I113-L124 HydrophobicContact CB-CD2 3.96Å; I113-L124 HydrophobicContact CD1-CD2 3.72Å; I113-L124 HydrophobicContact CG1-CD2 4.43Å; I113-L124 HydrophobicContact CG2-CD1 3.99Å; I113-L124 HydrophobicContact CG2-CD2 3.92Å; T118-L124 HydrophobicContact CG2-CB 4.43Å; T118-L124 HydrophobicContact CG2-CD1 3.67Å; T118-L124 HydrophobicContact CG2-CG 3.66Å; G122-L124 PolarHBondContact O-N 2.86Å
125A90.4Very high91.9Very high44 Ų4485 Ų8536%0.36443%0.431SS..PPolyproline II helixtrans-66.1139.1170.600000110.5Q129 F130A125-Q129 VanDerWaalsContact CA-OE1 3.32Å; A125-Q129 HydrophobicContact CB-CB 4.04Å; A125-F130 HydrophobicContact CB-CD2 4.07Å; A125-F130 HydrophobicContact CB-CE1 4.49Å; A125-F130 HydrophobicContact CB-CE2 3.68Å; A125-F130 HydrophobicContact CB-CZ 3.92Å; A125-F130 VanDerWaalsContact O-CE2 3.31Å; A125-F130 WeakPolarHBondContact O-CE2 3.48Å
126S93.8Very high92.5Very high55 Ų5578 Ų7839%0.38540%0.398SS..PPolyproline II helixtrans-69.7159.8172.275.80000111.4E128 Q129 F130S126-E128 PolarHBondContact O-N 3.44Å; S126-Q129 WeakPolarHBondContact O-CA 3.5Å; S126-Q129 WeakPolarHBondContact O-CB 3.15Å; S126-Q129 PolarHBondContact O-N 3.31Å; S126-Q129 WeakPolarHBondContact OG-CG 3.1Å; S126-Q129 PolarHBondContact OG-N 3.08Å; S126-Q129 PolarHBondContact OG-OE1 3.29Å; S126-F130 WeakPolarHBondContact O-CD2 3Å; S126-F130 PolarHBondContact O-N 3.17Å
127L96.9Very high93Very high39 Ų3976.6 Ų76.620%0.20440%0.395CS..Hα-helixtrans-52.2-43.8173.1-69.8-179.5000111.5I110 Q129 F130 S131 T139 Y141I110-L127 HydrophobicContact CB-CD2 4.24Å; I110-L127 HydrophobicContact CG1-CD2 4.33Å; L127-Q129 VanDerWaalsContact C-N 3.32Å; L127-Q129 PolarHBondContact O-N 3.24Å; L127-F130 WeakPolarHBondContact O-CB 3.42Å; L127-F130 PolarHBondContact O-N 2.92Å; L127-F130 VanDerWaalsContact O-N 3.12Å; L127-S131 PolarHBondContact O-N 3.29Å; L127-S131 PolarHBondContact O-OG 3.05Å; L127-T139 WeakPolarHBondContact CA-OG1 3.32Å; L127-T139 VanDerWaalsContact CB-OG1 3.32Å; L127-T139 WeakPolarHBondContact CB-OG1 3.37Å; L127-T139 PolarHBondContact O-OG1 3.25Å; L127-Y141 HydrophobicContact CD1-CD2 4.16Å; L127-Y141 HydrophobicContact CD1-CE1 4.47Å; L127-Y141 HydrophobicContact CD1-CE2 3.82Å; L127-Y141 HydrophobicContact CD2-CD1 4.23Å; L127-Y141 HydrophobicContact CD2-CE1 4.03Å; L127-Y141 HydrophobicContact CG-CE1 4.3Å; L127-Y141 HydrophobicContact CG-CE2 4.44Å
128E96.4Very high93.5Very high120 Ų12078.5 Ų78.556%0.56140%0.401SS*.Hα-helixtrans-62-37.4176-169.7-171.2166.100112.8S126 S131 K132S126-E128 PolarHBondContact O-N 3.44Å; E128-S131 PolarHBondContact O-N 3.41Å; E128-K132 WeakPolarHBondContact O-CG 3.21Å; E128-K132 PolarHBondContact O-N 2.83Å; E128-K132 VanDerWaalsContact O-N 3.09Å; E128-K132 WeakPolarHBondContact OE1-CE 3.43Å; E128-K132 IonicContact OE1-NZ 3.89Å; E128-K132 PolarHBondContact OE1-NZ 3.06Å
129Q96Very high94.1Very high108 Ų10876.7 Ų76.751%0.50539%0.39SS..Hα-helixtrans-65.8-39.6174.5-73.7171.8-54.300111.3A125 S126 L127 K132 K133A125-Q129 VanDerWaalsContact CA-OE1 3.32Å; A125-Q129 HydrophobicContact CB-CB 4.04Å; S126-Q129 WeakPolarHBondContact O-CA 3.5Å; S126-Q129 WeakPolarHBondContact O-CB 3.15Å; S126-Q129 PolarHBondContact O-N 3.31Å; S126-Q129 WeakPolarHBondContact OG-CG 3.1Å; S126-Q129 PolarHBondContact OG-N 3.08Å; S126-Q129 PolarHBondContact OG-OE1 3.29Å; L127-Q129 VanDerWaalsContact C-N 3.32Å; L127-Q129 PolarHBondContact O-N 3.24Å; Q129-K132 PolarHBondContact O-N 2.87Å; Q129-K133 VanDerWaalsContact O-CB 3.23Å; Q129-K133 WeakPolarHBondContact O-CB 3.49Å; Q129-K133 PolarHBondContact O-N 3.05Å
130F97.1Very high94.5Very high20 Ų2072.6 Ų72.69%0.08837%0.368CS..Hα-helixtrans-64.1-42.2173-78.4-68.5000112.7E92 I110 A125 S126 L127 K132 K133 Y134 T139E92-F130 HydrophobicContact CG-CE1 4.11Å; E92-F130 HydrophobicContact CG-CZ 4.46Å; I110-F130 HydrophobicContact CD1-CB 4.4Å; I110-F130 HydrophobicContact CD1-CD1 3.9Å; I110-F130 HydrophobicContact CD1-CD2 4.29Å; I110-F130 HydrophobicContact CD1-CE1 4.2Å; I110-F130 HydrophobicContact CD1-CG 3.95Å; I110-F130 HydrophobicContact CG1-CB 4.23Å; I110-F130 HydrophobicContact CG1-CD1 4.36Å; I110-F130 HydrophobicContact CG1-CD2 3.87Å; I110-F130 HydrophobicContact CG1-CE2 4.28Å; I110-F130 HydrophobicContact CG1-CG 3.91Å; I110-F130 HydrophobicContact CG2-CD2 4.14Å; I110-F130 HydrophobicContact CG2-CE2 3.73Å; I110-F130 HydrophobicContact CG2-CZ 4.06Å; A125-F130 HydrophobicContact CB-CD2 4.07Å; A125-F130 HydrophobicContact CB-CE1 4.49Å; A125-F130 HydrophobicContact CB-CE2 3.68Å; A125-F130 HydrophobicContact CB-CZ 3.92Å; A125-F130 VanDerWaalsContact O-CE2 3.31Å; A125-F130 WeakPolarHBondContact O-CE2 3.48Å; S126-F130 WeakPolarHBondContact O-CD2 3Å; S126-F130 PolarHBondContact O-N 3.17Å; L127-F130 WeakPolarHBondContact O-CB 3.42Å; L127-F130 PolarHBondContact O-N 2.92Å; L127-F130 VanDerWaalsContact O-N 3.12Å; F130-K132 VanDerWaalsContact C-N 3.3Å; F130-K132 PolarHBondContact O-N 2.98Å; F130-K133 PolarHBondContact O-N 2.71Å; F130-Y134 HydrophobicContact CD1-CD2 4.17Å; F130-Y134 AromaticContact CD1-CE2 3.91Å; F130-Y134 HydrophobicContact CD1-CE2 3.91Å; F130-Y134 HydrophobicContact CE1-CE2 4.38Å; F130-Y134 PolarHBondContact O-N 2.9Å; F130-T139 HydrophobicContact CB-CG2 3.91Å
131S97.3Very high94.8Very high21 Ų2167.1 Ų67.115%0.14735%0.346CS..Hα-helixtrans-59-45.6177.6-57.50000110.7L127 E128 D135 V136 T139L127-S131 PolarHBondContact O-N 3.29Å; L127-S131 PolarHBondContact O-OG 3.05Å; E128-S131 PolarHBondContact O-N 3.41Å; S131-D135 PolarHBondContact O-N 3.3Å; S131-D135 VanDerWaalsContact O-N 3.08Å; S131-V136 PolarHBondContact O-N 2.7Å; S131-T139 WeakPolarHBondContact OG-CB 3.43Å; S131-T139 WeakPolarHBondContact OG-CG2 3.44Å; S131-T139 PolarHBondContact OG-OG1 2.89Å
132K96.7Very high95.5Very high113 Ų11362.7 Ų62.749%0.49132%0.324SS..Hα-helixtrans-67.7-38.3176.4-70.9173.5-172.9165.30112.8P11 E128 Q129 F130P11-K132 VanDerWaalsContact CB-O 3.22Å; P11-K132 WeakPolarHBondContact CB-O 3.42Å; P11-K132 WeakPolarHBondContact CG-O 3.47Å; E128-K132 WeakPolarHBondContact O-CG 3.21Å; E128-K132 PolarHBondContact O-N 2.83Å; E128-K132 VanDerWaalsContact O-N 3.09Å; E128-K132 WeakPolarHBondContact OE1-CE 3.43Å; E128-K132 IonicContact OE1-NZ 3.89Å; E128-K132 PolarHBondContact OE1-NZ 3.06Å; Q129-K132 PolarHBondContact O-N 2.87Å; F130-K132 VanDerWaalsContact C-N 3.3Å; F130-K132 PolarHBondContact O-N 2.98Å
133K97.1Very high95.9Very high91 Ų9166.1 Ų66.140%0.39633%0.334SS..Hα-helixtrans-64.8-41.7-178.8-179.8-178.8177.8-171.90111.7M23 E92 Q129 F130M23-K133 WeakPolarHBondContact CG-O 3.07Å; E92-K133 IonicContact OE1-NZ 2.99Å; E92-K133 PolarHBondContact OE1-NZ 2.66Å; E92-K133 IonicContact OE2-NZ 3.07Å; Q129-K133 VanDerWaalsContact O-CB 3.23Å; Q129-K133 WeakPolarHBondContact O-CB 3.49Å; Q129-K133 PolarHBondContact O-N 3.05Å; F130-K133 PolarHBondContact O-N 2.71Å
134Y98.1Very high96.4Very high4 Ų460.3 Ų60.32%0.01631%0.307CS..Hα-helixtrans-104.43.1-172.2-70.6-60.5000115.1M23 G89 V90 L91 E92 L108 F130 V136M23-Y134 HydrophobicContact SD-CD1 4.13Å; G89-Y134 WeakPolarHBondContact O-CE1 3.44Å; V90-Y134 VanDerWaalsContact CA-CE1 3.49Å; V90-Y134 HydrophobicContact CB-CE1 4.34Å; V90-Y134 HydrophobicContact CB-CE2 4.41Å; V90-Y134 HydrophobicContact CG1-CE2 4.36Å; V90-Y134 HydrophobicContact CG2-CD1 3.87Å; V90-Y134 HydrophobicContact CG2-CD2 3.81Å; V90-Y134 HydrophobicContact CG2-CE1 4.05Å; V90-Y134 HydrophobicContact CG2-CE2 3.93Å; V90-Y134 HydrophobicContact CG2-CG 3.78Å; L91-Y134 PolarHBondContact N-OH 2.72Å; E92-Y134 PolarHBondContact OE1-OH 3.04Å; E92-Y134 WeakPolarHBondContact OE2-CE2 3.48Å; E92-Y134 PolarHBondContact OE2-OH 3.22Å; L108-Y134 HydrophobicContact CD2-CD2 3.72Å; L108-Y134 HydrophobicContact CD2-CE2 4.48Å; L108-Y134 HydrophobicContact CD2-CG 4.28Å; F130-Y134 HydrophobicContact CD1-CD2 4.17Å; F130-Y134 AromaticContact CD1-CE2 3.91Å; F130-Y134 HydrophobicContact CD1-CE2 3.91Å; F130-Y134 HydrophobicContact CE1-CE2 4.38Å; F130-Y134 PolarHBondContact O-N 2.9Å; Y134-V136 VanDerWaalsContact C-N 3.31Å; Y134-V136 PolarHBondContact O-N 3.27Å
135D97.4Very high97Very high56 Ų5657 Ų5730%0.29929%0.289SS..THydrogen-bonded Turntrans50.552.1-178.4-154.424.4000111.6P11 M23 Q24 V27 R30 S131P11-D135 HydrophobicContact CG-CB 3.78Å; M23-D135 HydrophobicContact CB-CB 3.73Å; Q24-D135 PolarHBondContact NE2-OD2 3.09Å; V27-D135 HydrophobicContact CG2-CB 4.09Å; V27-D135 WeakPolarHBondContact CG2-OD2 3.45Å; R30-D135 PolarHBondContact NH2-O 3.38Å; S131-D135 PolarHBondContact O-N 3.3Å; S131-D135 VanDerWaalsContact O-N 3.08Å
136V98.4Very high97.4Very high11 Ų1155.3 Ų55.37%0.06728%0.276CS..  trans-111152.8174.3-63.50000109.9F88 L108 S131 Y134 T139F88-V136 HydrophobicContact CD1-CG1 4.02Å; F88-V136 HydrophobicContact CE1-CG1 4.38Å; L108-V136 HydrophobicContact CB-CG1 4.46Å; L108-V136 HydrophobicContact CB-CG2 3.99Å; S131-V136 PolarHBondContact O-N 2.7Å; Y134-V136 VanDerWaalsContact C-N 3.31Å; Y134-V136 PolarHBondContact O-N 3.27Å; V136-T139 HydrophobicContact CG2-CG2 3.92Å
137D98Very high97.6Very high101 Ų10156.6 Ų56.654%0.5428%0.284SS..SBendtrans-71.8-36.1-173.9-55.4-87.1000112.1R105 S106R105-D137 HydrophobicContact CG-CB 3.9Å; S106-D137 PolarHBondContact N-OD2 2.81Å; S106-D137 WeakPolarHBondContact O-CB 3.47Å; S106-D137 PolarHBondContact O-N 3.01Å; S106-D137 PolarHBondContact OG-OD2 3.07Å
138E97.6Very high97.7Very high59 Ų5955.2 Ų55.228%0.27628%0.278SS..EExtended strand (participates in β ladder)trans-142.8156.3-178.6-69.8177.4-134.400112.1R105 S106 T107 L108 H140 W152R105-E138 IonicContact CZ-OE1 3.53Å; R105-E138 VanDerWaalsContact NH1-CD 3.3Å; R105-E138 IonicContact NH1-OE1 2.96Å; R105-E138 PolarHBondContact NH1-OE1 2.93Å; R105-E138 IonicContact NH1-OE2 3.38Å; S106-E138 PolarHBondContact O-N 3.41Å; T107-E138 VanDerWaalsContact CA-O 3.32Å; T107-E138 WeakPolarHBondContact CA-O 3.11Å; T107-E138 HydrophobicContact CG2-CB 3.74Å; L108-E138 PolarHBondContact N-O 3.37Å; E138-H140 IonicContact OE2-CD2 3.77Å; E138-H140 IonicContact OE2-CE1 3.4Å; E138-H140 IonicContact OE2-NE2 3.69Å; E138-H140 PolarHBondContact OE2-NE2 3.3Å; E138-W152 WeakPolarHBondContact OE2-CZ2 3.36Å
139T98.5Very high97.7Very high14 Ų1449.5 Ų49.59%0.08625%0.251CS..EExtended strand (participates in β ladder)trans-137137.6169.849.40000110.9L108 L127 F130 S131 V136L108-T139 HydrophobicContact CB-CG2 4.09Å; L108-T139 CarbonylContact O-C 3.54Å; L108-T139 WeakPolarHBondContact O-CA 3.45Å; L127-T139 WeakPolarHBondContact CA-OG1 3.32Å; L127-T139 VanDerWaalsContact CB-OG1 3.32Å; L127-T139 WeakPolarHBondContact CB-OG1 3.37Å; L127-T139 PolarHBondContact O-OG1 3.25Å; F130-T139 HydrophobicContact CB-CG2 3.91Å; S131-T139 WeakPolarHBondContact OG-CB 3.43Å; S131-T139 WeakPolarHBondContact OG-CG2 3.44Å; S131-T139 PolarHBondContact OG-OG1 2.89Å; V136-T139 HydrophobicContact CG2-CG2 3.92Å
140H98.5Very high97.8Very high48 Ų4847 Ų4722%0.22225%0.245CC..EExtended strand (participates in β ladder)trans-136.4178.5176.3-62-89000109.8L108 F109 I110 E138 W152L108-H140 PolarHBondContact O-N 3.49Å; F109-H140 CarbonylContact C-O 3.1Å; F109-H140 VanDerWaalsContact CA-O 3.26Å; F109-H140 WeakPolarHBondContact CA-O 3.07Å; F109-H140 HydrophobicContact CD1-CB 3.8Å; F109-H140 HydrophobicContact CE1-CB 3.8Å; I110-H140 PolarHBondContact N-O 3.47Å; E138-H140 IonicContact OE2-CD2 3.77Å; E138-H140 IonicContact OE2-CE1 3.4Å; E138-H140 IonicContact OE2-NE2 3.69Å; E138-H140 PolarHBondContact OE2-NE2 3.3Å; H140-W152 AromaticContact NE2-CZ2 3.96Å
141Y98Very high97.8Very high77 Ų7752.4 Ų52.430%0.30228%0.275SS..EExtended strand (participates in β ladder)trans-86.1152.2173-65.2-67.5000112.4F109 I110 K112 L127 D143 E144F109-Y141 WeakPolarHBondContact CD1-O 3.25Å; I110-Y141 CarbonylContact O-C 3.59Å; I110-Y141 VanDerWaalsContact O-CA 3.26Å; I110-Y141 WeakPolarHBondContact O-CA 3.48Å; K112-Y141 HydrophobicContact CB-CD1 3.77Å; K112-Y141 HydrophobicContact CB-CE1 4.27Å; K112-Y141 HydrophobicContact CB-CG 4.15Å; K112-Y141 HydrophobicContact CG-CD1 4.12Å; K112-Y141 HydrophobicContact CG-CE1 4.19Å; K112-Y141 HydrophobicContact CG-CG 4.44Å; L127-Y141 HydrophobicContact CD1-CD2 4.16Å; L127-Y141 HydrophobicContact CD1-CE1 4.47Å; L127-Y141 HydrophobicContact CD1-CE2 3.82Å; L127-Y141 HydrophobicContact CD2-CD1 4.23Å; L127-Y141 HydrophobicContact CD2-CE1 4.03Å; L127-Y141 HydrophobicContact CG-CE1 4.3Å; L127-Y141 HydrophobicContact CG-CE2 4.44Å; Y141-D143 WeakPolarHBondContact CB-OD1 3.48Å; Y141-D143 PolarHBondContact O-N 3.02Å; Y141-E144 PolarHBondContact N-OE2 3.19Å; Y141-E144 WeakPolarHBondContact O-CB 3.43Å; Y141-E144 PolarHBondContact O-N 3.43Å
142T97.8Very high97.8Very high32 Ų3253.6 Ų53.620%0.19628%0.276CS..G310 helixtrans-62.3-27-177.151.80000114.7D94 Y96 F109 I110 E144 I145D94-T142 WeakPolarHBondContact O-CG2 3.25Å; Y96-T142 HydrophobicContact CD2-CG2 3.75Å; Y96-T142 HydrophobicContact CE2-CG2 4.27Å; F109-T142 HydrophobicContact CB-CG2 3.94Å; F109-T142 WeakPolarHBondContact O-CG2 3.08Å; I110-T142 PolarHBondContact O-N 2.8Å; T142-E144 PolarHBondContact O-N 3.47Å; T142-I145 VanDerWaalsContact O-CG2 3.24Å; T142-I145 WeakPolarHBondContact O-CG2 3.48Å
143D97.1Very high97.7Very high108 Ų10854.3 Ų54.358%0.57829%0.285SS*.G310 helixtrans-74-11.6173.657.9-12.8000113.3Y141Y141-D143 WeakPolarHBondContact CB-OD1 3.48Å; Y141-D143 PolarHBondContact O-N 3.02Å
144E98.1Very high97.6Very high73 Ų7350.6 Ų50.634%0.34127%0.271SS..G310 helixtrans-95.3-9.1-179.8-60.1174.8140.100113.2Y141 T142 A146 S147 C148Y141-E144 PolarHBondContact N-OE2 3.19Å; Y141-E144 WeakPolarHBondContact O-CB 3.43Å; Y141-E144 PolarHBondContact O-N 3.43Å; T142-E144 PolarHBondContact O-N 3.47Å; E144-A146 PolarHBondContact O-N 3.01Å; E144-S147 WeakPolarHBondContact O-CA 3.18Å; E144-S147 VanDerWaalsContact O-CB 3.32Å; E144-S147 WeakPolarHBondContact O-CB 3.37Å; E144-S147 PolarHBondContact O-N 3.24Å; E144-C148 PolarHBondContact O-N 3.27Å; E144-C148 PolarHBondContact O-SG 3.2Å; E144-C148 VanDerWaalsContact O-SG 3.41Å
145I98.4Very high97.3Very high3 Ų353.8 Ų53.82%0.01529%0.291CS..Hα-helixtrans-52.2-47.4-171.1-172.5171.5000114.3V60 Y96 F109 T142 S147 C148 L149 F176V60-I145 HydrophobicContact CG1-CD1 4.3Å; Y96-I145 HydrophobicContact CD1-CD1 4.07Å; Y96-I145 HydrophobicContact CG-CD1 4.03Å; F109-I145 HydrophobicContact CD1-CB 3.88Å; F109-I145 HydrophobicContact CD1-CG1 4.28Å; F109-I145 HydrophobicContact CD2-CD1 4.21Å; F109-I145 HydrophobicContact CD2-CG1 4.24Å; F109-I145 VanDerWaalsContact CE1-CA 3.47Å; F109-I145 HydrophobicContact CE1-CB 3.88Å; F109-I145 HydrophobicContact CE1-CG1 4.06Å; F109-I145 HydrophobicContact CE2-CD1 4.31Å; F109-I145 HydrophobicContact CE2-CG1 4.02Å; F109-I145 HydrophobicContact CG-CB 4.28Å; F109-I145 HydrophobicContact CG-CD1 4.5Å; F109-I145 HydrophobicContact CG-CG1 4.37Å; F109-I145 HydrophobicContact CZ-CB 4.26Å; F109-I145 HydrophobicContact CZ-CG1 3.91Å; T142-I145 VanDerWaalsContact O-CG2 3.24Å; T142-I145 WeakPolarHBondContact O-CG2 3.48Å; I145-S147 VanDerWaalsContact C-N 3.3Å; I145-S147 PolarHBondContact O-N 2.96Å; I145-C148 PolarHBondContact O-N 2.94Å; I145-L149 HydrophobicContact CG1-CD1 4.01Å; I145-L149 WeakPolarHBondContact O-CB 3.49Å; I145-L149 WeakPolarHBondContact O-CG 3.37Å; I145-L149 PolarHBondContact O-N 3.32Å; I145-F176 HydrophobicContact CD1-CD1 3.93Å; I145-F176 HydrophobicContact CD1-CE1 4.06Å; I145-F176 HydrophobicContact CD1-CG 4.23Å; I145-F176 HydrophobicContact CD1-CZ 4.44Å; I145-F176 HydrophobicContact CG2-CB 3.85Å; I145-F176 HydrophobicContact CG2-CD1 4.44Å; I145-F176 HydrophobicContact CG2-CD2 3.52Å; I145-F176 HydrophobicContact CG2-CE2 4.14Å; I145-F176 HydrophobicContact CG2-CG 3.68Å
146A98.1Very high97.2Very high9 Ų951.2 Ų51.27%0.07428%0.278CS..Hα-helixtrans-68-32.918000000112.1E144 S150 F176 Y177 F182E144-A146 PolarHBondContact O-N 3.01Å; A146-S150 WeakPolarHBondContact O-CB 3.34Å; A146-S150 PolarHBondContact O-N 3.33Å; A146-S150 VanDerWaalsContact O-N 3.07Å; A146-S150 PolarHBondContact O-OG 2.92Å; A146-F176 HydrophobicContact CB-CD2 4.26Å; A146-F176 HydrophobicContact CB-CE2 4.08Å; A146-Y177 WeakPolarHBondContact CB-O 3.45Å; A146-F182 HydrophobicContact CB-CE2 4.46Å
147S98Very high97.1Very high81 Ų8150.7 Ų50.757%0.56628%0.275SS*.Hα-helixtrans-69.8-45177.2-54.10000110.6E144 I145 S150 L151E144-S147 WeakPolarHBondContact O-CA 3.18Å; E144-S147 VanDerWaalsContact O-CB 3.32Å; E144-S147 WeakPolarHBondContact O-CB 3.37Å; E144-S147 PolarHBondContact O-N 3.24Å; I145-S147 VanDerWaalsContact C-N 3.3Å; I145-S147 PolarHBondContact O-N 2.96Å; S147-S150 PolarHBondContact O-N 3.02Å; S147-L151 WeakPolarHBondContact O-CB 2.95Å; S147-L151 PolarHBondContact O-N 3.43Å
148C98.2Very high97.1Very high11 Ų1145.9 Ų45.97%0.07425%0.249CC..Hα-helixtrans-61.6-49.7175.9-65.10000111.8F109 E144 I145 S150 L151 W152F109-C148 HydrophobicContact CE1-CB 3.99Å; F109-C148 HydrophobicContact CZ-CB 4.1Å; E144-C148 PolarHBondContact O-N 3.27Å; E144-C148 PolarHBondContact O-SG 3.2Å; E144-C148 VanDerWaalsContact O-SG 3.41Å; I145-C148 PolarHBondContact O-N 2.94Å; C148-S150 VanDerWaalsContact C-N 3.28Å; C148-S150 PolarHBondContact O-N 2.86Å; C148-L151 WeakPolarHBondContact O-CB 3.32Å; C148-L151 PolarHBondContact O-N 3.5Å; C148-L151 VanDerWaalsContact O-N 3.14Å; C148-W152 HydrophobicContact CB-CD2 4.47Å; C148-W152 HydrophobicContact CB-CE3 4.41Å; C148-W152 HydrophobicContact CB-CH2 3.66Å; C148-W152 HydrophobicContact CB-CZ2 3.75Å; C148-W152 HydrophobicContact CB-CZ3 4.02Å; C148-W152 PolarHBondContact O-N 2.72Å
149L97.9Very high97.2Very high0 Ų043.1 Ų43.10%024%0.236CC..Hα-helixtrans-59.5-38.2177.2-73.3170.2000112.2F58 T98 I145 W152 N153 A154 L157 F176 F182F58-L149 HydrophobicContact CB-CD2 4.24Å; F58-L149 HydrophobicContact CD1-CD2 4.19Å; F58-L149 HydrophobicContact CD2-CD2 4.25Å; F58-L149 HydrophobicContact CG-CD2 3.98Å; T98-L149 HydrophobicContact CG2-CD2 4.29Å; I145-L149 HydrophobicContact CG1-CD1 4.01Å; I145-L149 WeakPolarHBondContact O-CB 3.49Å; I145-L149 WeakPolarHBondContact O-CG 3.37Å; I145-L149 PolarHBondContact O-N 3.32Å; L149-W152 HydrophobicContact CD2-CE3 4.21Å; L149-W152 HydrophobicContact CD2-CZ3 4.32Å; L149-W152 PolarHBondContact O-N 2.99Å; L149-N153 PolarHBondContact O-N 2.85Å; L149-A154 HydrophobicContact CB-CB 4.02Å; L149-A154 HydrophobicContact CD2-CB 4.01Å; L149-A154 WeakPolarHBondContact O-CB 3.43Å; L149-A154 PolarHBondContact O-N 3.49Å; L149-L157 HydrophobicContact CD1-CD1 4.12Å; L149-L157 HydrophobicContact CD1-CD2 4.08Å; L149-L157 HydrophobicContact CD2-CD2 4.01Å; L149-F176 HydrophobicContact CD1-CE2 4.2Å; L149-F176 HydrophobicContact CD1-CZ 3.68Å; L149-F182 HydrophobicContact CB-CE1 3.74Å; L149-F182 HydrophobicContact CB-CE2 4.16Å; L149-F182 HydrophobicContact CB-CZ 3.45Å; L149-F182 VanDerWaalsContact CB-CZ 3.45Å; L149-F182 HydrophobicContact CD1-CE2 4.47Å
150S97.4Very high97.2Very high54 Ų5442.5 Ų42.538%0.37823%0.232SC..Hα-helixtrans-66-44.6175.1-58.40000111.6A146 S147 C148 W152 N153 F182A146-S150 WeakPolarHBondContact O-CB 3.34Å; A146-S150 PolarHBondContact O-N 3.33Å; A146-S150 VanDerWaalsContact O-N 3.07Å; A146-S150 PolarHBondContact O-OG 2.92Å; S147-S150 PolarHBondContact O-N 3.02Å; C148-S150 VanDerWaalsContact C-N 3.28Å; C148-S150 PolarHBondContact O-N 2.86Å; S150-W152 VanDerWaalsContact C-N 3.27Å; S150-W152 PolarHBondContact O-N 3.28Å; S150-N153 PolarHBondContact O-N 2.94Å; S150-F182 WeakPolarHBondContact OG-CZ 3.47Å
151L97.3Very high97.1Very high135 Ų13542.8 Ų42.871%0.70724%0.239SC*.Hα-helixtrans-60.9-36.6178.218064.9000112S147 C148 N153S147-L151 WeakPolarHBondContact O-CB 2.95Å; S147-L151 PolarHBondContact O-N 3.43Å; C148-L151 WeakPolarHBondContact O-CB 3.32Å; C148-L151 PolarHBondContact O-N 3.5Å; C148-L151 VanDerWaalsContact O-N 3.14Å; L151-N153 PolarHBondContact O-N 3.48Å
152W96.4Very high97Very high45 Ų4539.8 Ų39.817%0.1723%0.231CC..THydrogen-bonded Turntrans-82.47.1176.9-52.2-33.8000113.8F58 R105 T107 F109 E138 H140 C148 L149 S150 A154F58-W152 AromaticContact CE1-CE3 3.8Å; F58-W152 HydrophobicContact CE1-CE3 3.8Å; F58-W152 HydrophobicContact CE1-CZ3 4.37Å; F58-W152 HydrophobicContact CE2-CB 4.4Å; F58-W152 HydrophobicContact CZ-CB 3.87Å; F58-W152 HydrophobicContact CZ-CE3 4Å; R105-W152 VanDerWaalsContact NH2-CD2 3.27Å; T107-W152 HydrophobicContact CG2-CH2 3.65Å; T107-W152 HydrophobicContact CG2-CZ2 4.33Å; F109-W152 AromaticContact CZ-CH2 3.89Å; F109-W152 HydrophobicContact CZ-CH2 3.89Å; F109-W152 HydrophobicContact CZ-CZ3 4.17Å; E138-W152 WeakPolarHBondContact OE2-CZ2 3.36Å; H140-W152 AromaticContact NE2-CZ2 3.96Å; C148-W152 HydrophobicContact CB-CD2 4.47Å; C148-W152 HydrophobicContact CB-CE3 4.41Å; C148-W152 HydrophobicContact CB-CH2 3.66Å; C148-W152 HydrophobicContact CB-CZ2 3.75Å; C148-W152 HydrophobicContact CB-CZ3 4.02Å; C148-W152 PolarHBondContact O-N 2.72Å; L149-W152 HydrophobicContact CD2-CE3 4.21Å; L149-W152 HydrophobicContact CD2-CZ3 4.32Å; L149-W152 PolarHBondContact O-N 2.99Å; S150-W152 VanDerWaalsContact C-N 3.27Å; S150-W152 PolarHBondContact O-N 3.28Å; W152-A154 VanDerWaalsContact C-N 3.28Å; W152-A154 PolarHBondContact O-N 3.38Å
153N95.1Very high97Very high128 Ų12841.9 Ų41.968%0.68424%0.244SC*.THydrogen-bonded Turntrans54.442.6-177.3-54.2-68.6000112.5L149 S150 L151 T155L149-N153 PolarHBondContact O-N 2.85Å; S150-N153 PolarHBondContact O-N 2.94Å; L151-N153 PolarHBondContact O-N 3.48Å; N153-T155 PolarHBondContact O-N 3.04Å
154A95.7Very high97.1Very high13 Ų1338.3 Ų38.311%0.10723%0.225CC..  trans-59.2124173.200000109.7G56 F58 L149 W152 L157 F182G56-A154 CarbonylContact O-C 3.52Å; G56-A154 WeakPolarHBondContact O-CA 3.47Å; F58-A154 HydrophobicContact CD2-CB 3.52Å; F58-A154 HydrophobicContact CE2-CB 3.67Å; L149-A154 HydrophobicContact CB-CB 4.02Å; L149-A154 HydrophobicContact CD2-CB 4.01Å; L149-A154 WeakPolarHBondContact O-CB 3.43Å; L149-A154 PolarHBondContact O-N 3.49Å; W152-A154 VanDerWaalsContact C-N 3.28Å; W152-A154 PolarHBondContact O-N 3.38Å; A154-L157 HydrophobicContact CB-CD2 4.05Å; A154-F182 HydrophobicContact CB-CD1 3.96Å; A154-F182 HydrophobicContact CB-CE1 3.88Å; A154-F182 WeakPolarHBondContact O-CD1 3.29Å
155T90.6Very high97Very high71 Ų7136.5 Ų36.544%0.43622%0.219SC..  trans-103.1-36.9179.553.20000111.1G56 N153 Q183G56-T155 PolarHBondContact O-N 3.49Å; G56-T155 PolarHBondContact O-OG1 2.93Å; N153-T155 PolarHBondContact O-N 3.04Å; T155-Q183 VanDerWaalsContact O-CB 3.32Å; T155-Q183 WeakPolarHBondContact O-CB 3.15Å
156L95.4Very high97Very high3 Ų338 Ų382%0.01623%0.226CC..EExtended strand (participates in β ladder)trans-137.1123.2-175.9-174.666.4000111F50 V51 G56 V57 F58 L158 Q183 N185F50-L156 HydrophobicContact CE1-CD2 4.36Å; V51-L156 HydrophobicContact CG2-CD2 4.36Å; G56-L156 PolarHBondContact O-N 3.18Å; V57-L156 WeakPolarHBondContact CA-O 3.27Å; V57-L156 HydrophobicContact CG1-CB 4.42Å; V57-L156 HydrophobicContact CG1-CD2 4.29Å; V57-L156 HydrophobicContact CG2-CB 4.26Å; F58-L156 PolarHBondContact N-O 2.64Å; L156-L158 HydrophobicContact CD2-CD2 3.92Å; L156-L158 HydrophobicContact CG-CD2 4.05Å; L156-Q183 CarbonylContact C-O 3.54Å; L156-Q183 WeakPolarHBondContact CA-O 3.49Å; L156-Q183 HydrophobicContact CD1-CB 3.93Å; L156-Q183 HydrophobicContact CD1-CG 3.7Å; L156-N185 HydrophobicContact CD1-CB 4Å; L156-N185 HydrophobicContact CG-CB 4.47Å
157L97.7Very high97Very high0 Ų040.3 Ų40.30%024%0.242CC..EExtended strand (participates in β ladder)trans-100.1124.5172.8-51.6-175.9000109.4F58 V60 L149 A154 F176 I179 F182 Q183 V184 N185F58-L157 HydrophobicContact CB-CD2 4.07Å; F58-L157 CarbonylContact O-C 3.52Å; F58-L157 WeakPolarHBondContact O-CA 3.24Å; V60-L157 HydrophobicContact CG2-CB 4.05Å; V60-L157 HydrophobicContact CG2-CD1 4.29Å; V60-L157 HydrophobicContact CG2-CD2 3.91Å; V60-L157 HydrophobicContact CG2-CG 4.29Å; L149-L157 HydrophobicContact CD1-CD1 4.12Å; L149-L157 HydrophobicContact CD1-CD2 4.08Å; L149-L157 HydrophobicContact CD2-CD2 4.01Å; A154-L157 HydrophobicContact CB-CD2 4.05Å; L157-F176 HydrophobicContact CD1-CZ 3.92Å; L157-I179 HydrophobicContact CD1-CG1 4.13Å; L157-F182 HydrophobicContact CD1-CB 3.6Å; L157-F182 HydrophobicContact CD1-CD2 3.85Å; L157-F182 HydrophobicContact CD1-CG 3.76Å; L157-F182 HydrophobicContact CG-CB 3.73Å; L157-F182 HydrophobicContact CG-CG 4.12Å; L157-Q183 PolarHBondContact N-O 2.96Å; L157-V184 HydrophobicContact CB-CG2 4.43Å; L157-V184 CarbonylContact O-C 3.54Å; L157-V184 WeakPolarHBondContact O-CA 3.48Å; L157-N185 PolarHBondContact O-N 2.88Å
158L98Very high96.9Very high0 Ų043.4 Ų43.40%025%0.248CC..EExtended strand (participates in β ladder)trans-93.2111.8171.4-48.8-177.6000107.6I37 V57 F58 V59 V60 V101 L156 N185 I188 L189I37-L158 HydrophobicContact CD1-CD1 4.07Å; I37-L158 HydrophobicContact CG2-CD1 3.52Å; V57-L158 HydrophobicContact CG1-CD1 3.96Å; V57-L158 HydrophobicContact CG1-CD2 4.26Å; V57-L158 HydrophobicContact CG1-CG 3.97Å; F58-L158 PolarHBondContact O-N 2.87Å; V59-L158 HydrophobicContact CG2-CB 4.43Å; V59-L158 HydrophobicContact CG2-CD1 4.34Å; V60-L158 PolarHBondContact N-O 3.22Å; V101-L158 HydrophobicContact CG2-CD1 4.15Å; L156-L158 HydrophobicContact CD2-CD2 3.92Å; L156-L158 HydrophobicContact CG-CD2 4.05Å; L158-N185 HydrophobicContact CD2-CB 3.77Å; L158-I188 HydrophobicContact CD1-CG2 4.42Å; L158-I188 HydrophobicContact CD2-CD1 4.32Å; L158-L189 HydrophobicContact CB-CB 4.19Å; L158-L189 WeakPolarHBondContact O-CD2 3.3Å
159T98.5Very high96.9Very high0 Ų052.1 Ų52.10%028%0.279CS..EExtended strand (participates in β ladder)trans-106.9153.1-178.757.70000111.5C161 E173 V184 N185T159-C161 PolarHBondContact O-N 3.06Å; T159-C161 VanDerWaalsContact O-N 3.16Å; T159-E173 HydrophobicContact CG2-CG 4.46Å; T159-E173 PolarHBondContact OG1-OE1 3.5Å; T159-V184 HydrophobicContact CG2-CG1 3.71Å; T159-V184 WeakPolarHBondContact OG1-CG1 3.32Å; T159-N185 PolarHBondContact N-O 3.37Å
160L98.4Very high96.8Very high2 Ų256.6 Ų56.61%0.0131%0.31CS..  trans-81.297.8-176.7-175.268.8000110.6L61 F83 T171 E173 L189 H190 I193L61-L160 HydrophobicContact CD2-CB 3.86Å; L61-L160 HydrophobicContact CD2-CD2 4.34Å; F83-L160 HydrophobicContact CB-CD2 3.77Å; F83-L160 HydrophobicContact CD2-CD2 3.52Å; F83-L160 HydrophobicContact CE2-CD2 4.2Å; F83-L160 HydrophobicContact CG-CD2 3.72Å; L160-T171 HydrophobicContact CD2-CG2 4.23Å; L160-T171 HydrophobicContact CG-CG2 4.2Å; L160-T171 PolarHBondContact O-OG1 2.92Å; L160-E173 WeakPolarHBondContact O-CA 3.36Å; L160-L189 HydrophobicContact CB-CD2 4.14Å; L160-L189 HydrophobicContact CD1-CG 4.36Å; L160-H190 HydrophobicContact CD1-CB 4.19Å; L160-I193 HydrophobicContact CD1-CG2 3.73Å
161C97.4Very high96.8Very high54 Ų5454.9 Ų54.937%0.36530%0.297SS..  trans-130.5102.2178.7-178.90000110.5T159 T171 R186T159-C161 PolarHBondContact O-N 3.06Å; T159-C161 VanDerWaalsContact O-N 3.16Å; C161-T171 WeakPolarHBondContact CA-OG1 3.34Å; C161-R186 HydrophobicContact CB-CB 3.79Å; C161-R186 HydrophobicContact CB-CG 4.09Å
162G96.4Very high96.5Very high13 Ų1351.6 Ų51.613%0.13428%0.284CS..  trans-157.3-171171.300000112S170 T171 H190G162-S170 CarbonylContact O-C 3.58Å; G162-S170 VanDerWaalsContact O-CA 3.24Å; G162-S170 WeakPolarHBondContact O-CA 3.44Å; G162-T171 PolarHBondContact N-OG1 3.06Å; G162-T171 PolarHBondContact O-N 3.11Å; G162-T171 PolarHBondContact O-OG1 3.23Å; G162-H190 VanDerWaalsContact CA-CD2 3.5Å; G162-H190 WeakPolarHBondContact CA-CD2 3.39Å
163V97.1Very high96.5Very high76 Ų7651 Ų5146%0.46128%0.283SS..BIsolated β-bridgetrans-124.9125.4-176.5179.20000108.7T165V163-T165 PolarHBondContact O-N 3.13Å
164N98.1Very high96.7Very high34 Ų3445 Ų4518%0.18225%0.251CS..  trans-69130.2172.4172.7-74.2000109.7D166 S167 H168 R169N164-D166 VanDerWaalsContact C-N 3.3Å; N164-D166 PolarHBondContact O-N 3.24Å; N164-D166 PolarHBondContact OD1-N 3.49Å; N164-S167 WeakPolarHBondContact CB-OG 3.34Å; N164-S167 PolarHBondContact OD1-N 2.87Å; N164-S167 PolarHBondContact OD1-OG 3.03Å; N164-H168 WeakPolarHBondContact O-CA 3.4Å; N164-H168 PolarHBondContact O-N 3.13Å; N164-R169 PolarHBondContact N-O 2.78Å
165T97.8Very high96.7Very high35 Ų3551.3 Ų51.322%0.21528%0.277CS..THydrogen-bonded Turntrans-80.8-6.7-168.752.60000115.5V163 Y395 R402V163-T165 PolarHBondContact O-N 3.13Å; T165-Y395 WeakPolarHBondContact CG2-O 3.36Å; T165-R402 PolarHBondContact O-NH2 3.49Å
166D97.7Very high97Very high33 Ų3348.9 Ų48.918%0.17626%0.26CS..THydrogen-bonded Turntrans-101.3-43.4177-65.7-67.1000111.9N164 R412N164-D166 VanDerWaalsContact C-N 3.3Å; N164-D166 PolarHBondContact O-N 3.24Å; N164-D166 PolarHBondContact OD1-N 3.49Å; D166-R412 VanDerWaalsContact OD1-CD 3.31Å; D166-R412 WeakPolarHBondContact OD1-CD 3.48Å; D166-R412 WeakPolarHBondContact OD1-CG 3.23Å; D166-R412 IonicContact OD1-CZ 3.92Å; D166-R412 IonicContact OD1-NE 3.73Å; D166-R412 IonicContact OD1-NH1 3.48Å; D166-R412 PolarHBondContact OD1-NH1 3.25Å
167S97.5Very high97Very high58 Ų5858.6 Ų58.641%0.40630%0.298SS..THydrogen-bonded Turntrans-92.8-16.9-178.765.40000114.1N164 R169N164-S167 WeakPolarHBondContact CB-OG 3.34Å; N164-S167 PolarHBondContact OD1-N 2.87Å; N164-S167 PolarHBondContact OD1-OG 3.03Å; S167-R169 PolarHBondContact O-N 2.84Å; S167-R169 VanDerWaalsContact O-N 3.13Å; S167-R169 PolarHBondContact OG-N 2.66Å
168H96.9Very high97Very high147 Ų14758.6 Ų58.668%0.68130%0.298SS*.  trans58.515.3-170.8-51.3-63.3000114.6N164N164-H168 WeakPolarHBondContact O-CA 3.4Å; N164-H168 PolarHBondContact O-N 3.13Å
169R97.2Very high96.9Very high194 Ų19460.1 Ų60.173%0.73231%0.306SS*.PPolyproline II helixtrans-85144.1176.2-64.5-178.7-179.6-176.8-0.1110.8N164 S167N164-R169 PolarHBondContact N-O 2.78Å; S167-R169 PolarHBondContact O-N 2.84Å; S167-R169 VanDerWaalsContact O-N 3.13Å; S167-R169 PolarHBondContact OG-N 2.66Å
170S97Very high96.7Very high94 Ų9466.4 Ų66.466%0.65734%0.335SS*.BIsolated β-bridgetrans-71.8146172-55.10000111G162G162-S170 CarbonylContact O-C 3.58Å; G162-S170 VanDerWaalsContact O-CA 3.24Å; G162-S170 WeakPolarHBondContact O-CA 3.44Å
171T95.8Very high96.6Very high17 Ų1773 Ų7310%0.10436%0.363CS..PPolyproline II helixtrans-65.3150.1168.856.40000111F83 L160 C161 G162 E173F83-T171 HydrophobicContact CE2-CG2 3.97Å; L160-T171 HydrophobicContact CD2-CG2 4.23Å; L160-T171 HydrophobicContact CG-CG2 4.2Å; L160-T171 PolarHBondContact O-OG1 2.92Å; C161-T171 WeakPolarHBondContact CA-OG1 3.34Å; G162-T171 PolarHBondContact N-OG1 3.06Å; G162-T171 PolarHBondContact O-N 3.11Å; G162-T171 PolarHBondContact O-OG1 3.23Å; T171-E173 PolarHBondContact O-N 2.98Å
172P91.4Very high96.5Very high66 Ų6671.5 Ų71.543%0.42935%0.351SS..  trans-70.2103.5173.828.1-31.5000110E81E81-P172 HydrophobicContact CG-CG 3.84Å
173E97.3Very high96.5Very high33 Ų3376 Ų7615%0.15437%0.369CS..  trans-68.4130.5171-170-173.6-165.500109.4T159 L160 T171 K175 R186T159-E173 HydrophobicContact CG2-CG 4.46Å; T159-E173 PolarHBondContact OG1-OE1 3.5Å; L160-E173 WeakPolarHBondContact O-CA 3.36Å; T171-E173 PolarHBondContact O-N 2.98Å; E173-K175 PolarHBondContact O-N 3.36Å; E173-R186 WeakPolarHBondContact OE1-CG 3.19Å; E173-R186 IonicContact OE1-CZ 3.71Å; E173-R186 IonicContact OE1-NE 2.66Å; E173-R186 PolarHBondContact OE1-NE 2.94Å; E173-R186 IonicContact OE1-NH2 3.17Å; E173-R186 PolarHBondContact OE1-NH2 2.94Å; E173-R186 IonicContact OE2-CZ 3.42Å; E173-R186 IonicContact OE2-NE 2.66Å; E173-R186 PolarHBondContact OE2-NE 3.1Å; E173-R186 IonicContact OE2-NH2 3.91Å; E173-R186 PolarHBondContact OE2-NH2 3.3Å
174A97.7Very high96.4Very high2 Ų274.9 Ų74.92%0.01736%0.361CS..  trans-58129.3178.100000111.6V60 Q62 I179V60-A174 HydrophobicContact CG1-CB 4.08Å; Q62-A174 HydrophobicContact CB-CB 3.82Å; A174-I179 WeakPolarHBondContact O-CD1 3.39Å
175K96Very high96.3Very high146 Ų14674.4 Ų74.464%0.63536%0.359SS*.  trans-129.3131.8176-66.7174-174175.80109.7Y96 E173Y96-K175 WeakPolarHBondContact CE1-O 3.45Å; Y96-K175 PolarHBondContact OH-O 2.84Å; E173-K175 PolarHBondContact O-N 3.36Å
176F97Very high96.2Very high20 Ų2078.9 Ų78.99%0.08837%0.372CS..  trans-152.3159174.657-92.5000110V60 Y96 I145 A146 L149 L157 G178 I179V60-F176 HydrophobicContact CG1-CE1 3.99Å; Y96-F176 HydrophobicContact CE1-CB 4.23Å; Y96-F176 HydrophobicContact CE1-CD1 4.35Å; I145-F176 HydrophobicContact CD1-CD1 3.93Å; I145-F176 HydrophobicContact CD1-CE1 4.06Å; I145-F176 HydrophobicContact CD1-CG 4.23Å; I145-F176 HydrophobicContact CD1-CZ 4.44Å; I145-F176 HydrophobicContact CG2-CB 3.85Å; I145-F176 HydrophobicContact CG2-CD1 4.44Å; I145-F176 HydrophobicContact CG2-CD2 3.52Å; I145-F176 HydrophobicContact CG2-CE2 4.14Å; I145-F176 HydrophobicContact CG2-CG 3.68Å; A146-F176 HydrophobicContact CB-CD2 4.26Å; A146-F176 HydrophobicContact CB-CE2 4.08Å; L149-F176 HydrophobicContact CD1-CE2 4.2Å; L149-F176 HydrophobicContact CD1-CZ 3.68Å; L157-F176 HydrophobicContact CD1-CZ 3.92Å; F176-G178 PolarHBondContact O-N 3.47Å; F176-I179 HydrophobicContact CD1-CB 4.26Å; F176-I179 HydrophobicContact CD1-CD1 4.02Å; F176-I179 HydrophobicContact CD1-CG1 4.34Å; F176-I179 HydrophobicContact CD2-CB 3.95Å; F176-I179 HydrophobicContact CE1-CB 3.97Å; F176-I179 HydrophobicContact CE1-CD1 3.55Å; F176-I179 HydrophobicContact CE1-CG1 3.68Å; F176-I179 HydrophobicContact CE2-CB 3.66Å; F176-I179 HydrophobicContact CE2-CG1 4.09Å; F176-I179 HydrophobicContact CG-CB 4.26Å; F176-I179 HydrophobicContact CZ-CB 3.67Å; F176-I179 HydrophobicContact CZ-CD1 3.99Å; F176-I179 HydrophobicContact CZ-CG1 3.55Å; F176-I179 WeakPolarHBondContact O-CB 3.41Å; F176-I179 VanDerWaalsContact O-CG2 3.32Å; F176-I179 WeakPolarHBondContact O-CG2 3.41Å; F176-I179 PolarHBondContact O-N 3.02Å
177Y96.3Very high96.1Very high206 Ų20684.1 Ų84.181%0.80840%0.4SS*.THydrogen-bonded Turntrans-64.6127.2178.1177.7-98.9000110.9A146A146-Y177 WeakPolarHBondContact CB-O 3.45Å
178G96.4Very high96Very high0 Ų082 Ų820%038%0.384CS..THydrogen-bonded Turntrans93.10.8-178.900000114.9F176 E180 K181F176-G178 PolarHBondContact O-N 3.47Å; G178-E180 VanDerWaalsContact C-OE2 3.27Å; G178-E180 WeakPolarHBondContact CA-OE1 3.14Å; G178-E180 WeakPolarHBondContact CA-OE2 3.05Å; G178-E180 PolarHBondContact N-OE2 3.01Å; G178-E180 PolarHBondContact O-N 3.42Å; G178-K181 WeakPolarHBondContact O-CB 3.37Å; G178-K181 WeakPolarHBondContact O-CG 3.41Å; G178-K181 PolarHBondContact O-N 3.11Å
179I96.7Very high96Very high32 Ų3275 Ų7516%0.16435%0.352CS..G310 helixtrans-60.3-29.4177.6-166.2171.3000112.4L157 A174 F176 K181 F182 V184L157-I179 HydrophobicContact CD1-CG1 4.13Å; A174-I179 WeakPolarHBondContact O-CD1 3.39Å; F176-I179 HydrophobicContact CD1-CB 4.26Å; F176-I179 HydrophobicContact CD1-CD1 4.02Å; F176-I179 HydrophobicContact CD1-CG1 4.34Å; F176-I179 HydrophobicContact CD2-CB 3.95Å; F176-I179 HydrophobicContact CE1-CB 3.97Å; F176-I179 HydrophobicContact CE1-CD1 3.55Å; F176-I179 HydrophobicContact CE1-CG1 3.68Å; F176-I179 HydrophobicContact CE2-CB 3.66Å; F176-I179 HydrophobicContact CE2-CG1 4.09Å; F176-I179 HydrophobicContact CG-CB 4.26Å; F176-I179 HydrophobicContact CZ-CB 3.67Å; F176-I179 HydrophobicContact CZ-CD1 3.99Å; F176-I179 HydrophobicContact CZ-CG1 3.55Å; F176-I179 WeakPolarHBondContact O-CB 3.41Å; F176-I179 VanDerWaalsContact O-CG2 3.32Å; F176-I179 WeakPolarHBondContact O-CG2 3.41Å; F176-I179 PolarHBondContact O-N 3.02Å; I179-K181 PolarHBondContact O-N 2.98Å; I179-K181 VanDerWaalsContact O-N 3.12Å; I179-F182 PolarHBondContact O-N 2.96Å; I179-F182 VanDerWaalsContact O-N 3.12Å; I179-V184 HydrophobicContact CD1-CG2 4.41Å; I179-V184 HydrophobicContact CG1-CG2 4.11Å
180E95.1Very high96.1Very high132 Ų13267.2 Ų67.262%0.61732%0.323SS*.G310 helixtrans-64.7-12.7179.170.5-72.5167.300114.3G178 F182G178-E180 VanDerWaalsContact C-OE2 3.27Å; G178-E180 WeakPolarHBondContact CA-OE1 3.14Å; G178-E180 WeakPolarHBondContact CA-OE2 3.05Å; G178-E180 PolarHBondContact N-OE2 3.01Å; G178-E180 PolarHBondContact O-N 3.42Å; E180-F182 PolarHBondContact O-N 2.66Å
181K94.7Very high96.1Very high140 Ų14064.6 Ų64.661%0.60930%0.301SS*.G310 helixtrans-75.1-14.7174.7-61.4174.8-175.8172.90112.9G178 I179G178-K181 WeakPolarHBondContact O-CB 3.37Å; G178-K181 WeakPolarHBondContact O-CG 3.41Å; G178-K181 PolarHBondContact O-N 3.11Å; I179-K181 PolarHBondContact O-N 2.98Å; I179-K181 VanDerWaalsContact O-N 3.12Å
182F95.9Very high96.2Very high24 Ų2464.2 Ų64.211%0.10530%0.298CS..SBendtrans-113.1154.5-174.3-53.7-85.4000111.3A146 L149 S150 A154 L157 I179 E180A146-F182 HydrophobicContact CB-CE2 4.46Å; L149-F182 HydrophobicContact CB-CE1 3.74Å; L149-F182 HydrophobicContact CB-CE2 4.16Å; L149-F182 HydrophobicContact CB-CZ 3.45Å; L149-F182 VanDerWaalsContact CB-CZ 3.45Å; L149-F182 HydrophobicContact CD1-CE2 4.47Å; S150-F182 WeakPolarHBondContact OG-CZ 3.47Å; A154-F182 HydrophobicContact CB-CD1 3.96Å; A154-F182 HydrophobicContact CB-CE1 3.88Å; A154-F182 WeakPolarHBondContact O-CD1 3.29Å; L157-F182 HydrophobicContact CD1-CB 3.6Å; L157-F182 HydrophobicContact CD1-CD2 3.85Å; L157-F182 HydrophobicContact CD1-CG 3.76Å; L157-F182 HydrophobicContact CG-CB 3.73Å; L157-F182 HydrophobicContact CG-CG 4.12Å; I179-F182 PolarHBondContact O-N 2.96Å; I179-F182 VanDerWaalsContact O-N 3.12Å; E180-F182 PolarHBondContact O-N 2.66Å
183Q95.8Very high96.5Very high108 Ų10861.1 Ų61.151%0.50528%0.277SS..EExtended strand (participates in β ladder)trans-73131166.2-168.4179.77.200109T155 L156 L157T155-Q183 VanDerWaalsContact O-CB 3.32Å; T155-Q183 WeakPolarHBondContact O-CB 3.15Å; L156-Q183 CarbonylContact C-O 3.54Å; L156-Q183 WeakPolarHBondContact CA-O 3.49Å; L156-Q183 HydrophobicContact CD1-CB 3.93Å; L156-Q183 HydrophobicContact CD1-CG 3.7Å; L157-Q183 PolarHBondContact N-O 2.96Å
184V96.5Very high96.6Very high51 Ų5159.6 Ų59.631%0.30927%0.271SS..EExtended strand (participates in β ladder)trans-113.5127.9179.11800000110L157 T159 I179 R186L157-V184 HydrophobicContact CB-CG2 4.43Å; L157-V184 CarbonylContact O-C 3.54Å; L157-V184 WeakPolarHBondContact O-CA 3.48Å; T159-V184 HydrophobicContact CG2-CG1 3.71Å; T159-V184 WeakPolarHBondContact OG1-CG1 3.32Å; I179-V184 HydrophobicContact CD1-CG2 4.41Å; I179-V184 HydrophobicContact CG1-CG2 4.11Å; V184-R186 HydrophobicContact CG1-CG 4.32Å
185N96.1Very high96.6Very high24 Ų2460.1 Ų60.113%0.12827%0.274CS..EExtended strand (participates in β ladder)trans-109126.5170.9-174.5-64.3000110.4L156 L157 L158 T159 N187 I188L156-N185 HydrophobicContact CD1-CB 4Å; L156-N185 HydrophobicContact CG-CB 4.47Å; L157-N185 PolarHBondContact O-N 2.88Å; L158-N185 HydrophobicContact CD2-CB 3.77Å; T159-N185 PolarHBondContact N-O 3.37Å; N185-N187 PolarHBondContact OD1-N 2.89Å; N185-I188 WeakPolarHBondContact OD1-CG1 3.13Å; N185-I188 PolarHBondContact OD1-N 2.96Å; N185-I188 VanDerWaalsContact OD1-N 3.1Å
186R95.9Very high96.8Very high130 Ų13053.3 Ų53.349%0.49125%0.245SC..  trans-104.3-6-176.2-68.7175170.5167-7.6114.3C161 E173 V184C161-R186 HydrophobicContact CB-CB 3.79Å; C161-R186 HydrophobicContact CB-CG 4.09Å; E173-R186 WeakPolarHBondContact OE1-CG 3.19Å; E173-R186 IonicContact OE1-CZ 3.71Å; E173-R186 IonicContact OE1-NE 2.66Å; E173-R186 PolarHBondContact OE1-NE 2.94Å; E173-R186 IonicContact OE1-NH2 3.17Å; E173-R186 PolarHBondContact OE1-NH2 2.94Å; E173-R186 IonicContact OE2-CZ 3.42Å; E173-R186 IonicContact OE2-NE 2.66Å; E173-R186 PolarHBondContact OE2-NE 3.1Å; E173-R186 IonicContact OE2-NH2 3.91Å; E173-R186 PolarHBondContact OE2-NH2 3.3Å; V184-R186 HydrophobicContact CG1-CG 4.32Å
187N94Very high96.8Very high143 Ų14352.5 Ų52.577%0.76524%0.241SC*.SBendtrans-104.5-20.6-164.7-63.1-31.5000113.3N185N185-N187 PolarHBondContact OD1-N 2.89Å
188I95.6Very high97Very high13 Ų1342.8 Ų42.87%0.06720%0.203CC..SBendtrans-88.2-54.8-174.4-65.2170.5000111.1I37 K40 I41 L44 L158 N185 H190 H191 E192I37-I188 HydrophobicContact CG2-CG2 4.46Å; K40-I188 HydrophobicContact CG-CG2 4.26Å; I41-I188 HydrophobicContact CG1-CD1 4.36Å; L44-I188 HydrophobicContact CD1-CD1 4.4Å; L158-I188 HydrophobicContact CD1-CG2 4.42Å; L158-I188 HydrophobicContact CD2-CD1 4.32Å; N185-I188 WeakPolarHBondContact OD1-CG1 3.13Å; N185-I188 PolarHBondContact OD1-N 2.96Å; N185-I188 VanDerWaalsContact OD1-N 3.1Å; I188-H190 PolarHBondContact O-N 2.91Å; I188-H191 PolarHBondContact O-N 3.45Å; I188-E192 HydrophobicContact CG2-CG 4.33Å; I188-E192 PolarHBondContact O-N 3.22Å
189L98Very high97.1Very high0 Ų044.7 Ų44.70%021%0.213CC..Hα-helixtrans-60.3-46.3-163.1179.157.7000113.5L33 I37 V59 L61 L158 L160 H191 E192 I193L33-L189 HydrophobicContact CD1-CD1 4.12Å; L33-L189 HydrophobicContact CD2-CD1 4.08Å; I37-L189 HydrophobicContact CD1-CD1 4Å; V59-L189 HydrophobicContact CG1-CD1 3.95Å; V59-L189 HydrophobicContact CG1-CD2 3.76Å; V59-L189 HydrophobicContact CG2-CD1 3.96Å; L61-L189 HydrophobicContact CD2-CD2 3.86Å; L158-L189 HydrophobicContact CB-CB 4.19Å; L158-L189 WeakPolarHBondContact O-CD2 3.3Å; L160-L189 HydrophobicContact CB-CD2 4.14Å; L160-L189 HydrophobicContact CD1-CG 4.36Å; L189-H191 PolarHBondContact O-N 3.24Å; L189-E192 PolarHBondContact O-N 2.94Å; L189-I193 HydrophobicContact CD1-CB 4.22Å; L189-I193 HydrophobicContact CD1-CG2 4.48Å; L189-I193 HydrophobicContact CG-CG2 4.48Å; L189-I193 VanDerWaalsContact O-CG2 3.23Å; L189-I193 WeakPolarHBondContact O-CG2 3.27Å; L189-I193 PolarHBondContact O-N 3.13Å
190H98.3Very high97.2Very high30 Ų3043.4 Ų43.414%0.13921%0.206CC..Hα-helixtrans-58-46.3-173.6177.6-94.3000112.6L160 G162 I188 V194L160-H190 HydrophobicContact CD1-CB 4.19Å; G162-H190 VanDerWaalsContact CA-CD2 3.5Å; G162-H190 WeakPolarHBondContact CA-CD2 3.39Å; I188-H190 PolarHBondContact O-N 2.91Å; H190-V194 VanDerWaalsContact O-CB 3.26Å; H190-V194 WeakPolarHBondContact O-CB 3.48Å; H190-V194 WeakPolarHBondContact O-CG2 3.29Å; H190-V194 PolarHBondContact O-N 3Å; H190-V194 VanDerWaalsContact O-N 3.11Å
191H97.6Very high97.4Very high40 Ų4038.1 Ų38.119%0.18518%0.183CC..Hα-helixtrans-64.1-44.4179.9-175.9-77.4000111.5I188 L189 S195 D398I188-H191 PolarHBondContact O-N 3.45Å; L189-H191 PolarHBondContact O-N 3.24Å; H191-S195 PolarHBondContact CE1-OG 3.12Å; H191-S195 WeakPolarHBondContact O-CB 3.35Å; H191-S195 PolarHBondContact O-N 3.45Å; H191-S195 PolarHBondContact O-OG 2.91Å; H191-D398 IonicContact CD2-OD1 2.75Å; H191-D398 IonicContact CE1-OD1 3.22Å; H191-D398 IonicContact CE1-OD2 2.99Å; H191-D398 VanDerWaalsContact NE2-CG 3.34Å; H191-D398 IonicContact NE2-OD1 3.91Å; H191-D398 PolarHBondContact NE2-OD1 3.01Å; H191-D398 IonicContact NE2-OD2 3.73Å; H191-D398 PolarHBondContact NE2-OD2 3.18Å
192E98.1Very high97.5Very high9 Ų936.9 Ų36.94%0.04218%0.183CC..Hα-helixtrans-71.1-42.1-175.2-58.5-53.415800112.9L33 R36 I37 K40 I188 L189 S195 C196L33-E192 HydrophobicContact CD1-CB 4.25Å; R36-E192 HydrophobicContact CB-CB 4.38Å; R36-E192 IonicContact CZ-OE2 4Å; R36-E192 VanDerWaalsContact CZ-OE2 3.27Å; R36-E192 IonicContact NE-OE2 2.69Å; R36-E192 PolarHBondContact NE-OE2 3.38Å; R36-E192 IonicContact NH2-OE2 3.52Å; R36-E192 PolarHBondContact NH2-OE2 3.11Å; I37-E192 HydrophobicContact CG1-CB 4.15Å; I37-E192 HydrophobicContact CG1-CG 4.31Å; K40-E192 HydrophobicContact CB-CG 4.41Å; K40-E192 WeakPolarHBondContact CD-OE1 3.47Å; K40-E192 HydrophobicContact CG-CG 4.49Å; K40-E192 WeakPolarHBondContact CG-OE1 3.41Å; I188-E192 HydrophobicContact CG2-CG 4.33Å; I188-E192 PolarHBondContact O-N 3.22Å; L189-E192 PolarHBondContact O-N 2.94Å; E192-S195 PolarHBondContact O-N 3.5Å; E192-C196 PolarHBondContact O-N 3.29Å
193I98.7Very high97.7Very high0 Ų038.3 Ų38.30%019%0.191CC..Hα-helixtrans-70.4-36.8178.4-162.9173.1000112.1L33 L61 F83 W86 L160 L189 S195 C196 R197L33-I193 HydrophobicContact CD1-CB 3.81Å; L33-I193 HydrophobicContact CD1-CG1 4.2Å; L33-I193 HydrophobicContact CD2-CB 4.44Å; L33-I193 HydrophobicContact CD2-CD1 4.03Å; L33-I193 HydrophobicContact CD2-CG1 4.13Å; L61-I193 HydrophobicContact CD1-CD1 4.26Å; F83-I193 HydrophobicContact CB-CD1 4.18Å; F83-I193 HydrophobicContact CD1-CB 4.49Å; F83-I193 HydrophobicContact CD1-CD1 3.87Å; F83-I193 HydrophobicContact CD1-CG1 3.97Å; F83-I193 HydrophobicContact CD1-CG2 3.78Å; F83-I193 HydrophobicContact CE1-CG2 3.77Å; F83-I193 HydrophobicContact CG-CD1 4.47Å; W86-I193 HydrophobicContact CE3-CD1 4.11Å; W86-I193 HydrophobicContact CE3-CG1 3.94Å; W86-I193 HydrophobicContact CZ3-CD1 4.27Å; W86-I193 HydrophobicContact CZ3-CG1 3.85Å; L160-I193 HydrophobicContact CD1-CG2 3.73Å; L189-I193 HydrophobicContact CD1-CB 4.22Å; L189-I193 HydrophobicContact CD1-CG2 4.48Å; L189-I193 HydrophobicContact CG-CG2 4.48Å; L189-I193 VanDerWaalsContact O-CG2 3.23Å; L189-I193 WeakPolarHBondContact O-CG2 3.27Å; L189-I193 PolarHBondContact O-N 3.13Å; I193-S195 VanDerWaalsContact C-N 3.34Å; I193-C196 WeakPolarHBondContact O-CB 3.47Å; I193-C196 PolarHBondContact O-N 2.68Å; I193-R197 PolarHBondContact O-N 2.9Å
194V98.6Very high97.8Very high2 Ų233.3 Ų33.31%0.01217%0.167CC..Hα-helixtrans-63.2-43.9172.5171.10000110.3F83 H190 C196 R197 V198 V392 L396F83-V194 HydrophobicContact CE1-CG2 3.66Å; F83-V194 HydrophobicContact CZ-CG2 3.61Å; H190-V194 VanDerWaalsContact O-CB 3.26Å; H190-V194 WeakPolarHBondContact O-CB 3.48Å; H190-V194 WeakPolarHBondContact O-CG2 3.29Å; H190-V194 PolarHBondContact O-N 3Å; H190-V194 VanDerWaalsContact O-N 3.11Å; V194-C196 VanDerWaalsContact C-N 3.29Å; V194-C196 PolarHBondContact O-N 3Å; V194-R197 PolarHBondContact O-N 2.66Å; V194-R197 VanDerWaalsContact O-N 3.09Å; V194-V198 WeakPolarHBondContact O-CG2 3.5Å; V194-V198 PolarHBondContact O-N 3.48Å; V194-V392 HydrophobicContact CB-CG2 4.3Å; V194-V392 HydrophobicContact CG1-CB 3.96Å; V194-V392 HydrophobicContact CG1-CG2 3.88Å; V194-V392 HydrophobicContact CG2-CB 4.17Å; V194-V392 HydrophobicContact CG2-CG2 4.09Å; V194-L396 HydrophobicContact CB-CD2 4.31Å; V194-L396 HydrophobicContact CG1-CD1 4.07Å; V194-L396 HydrophobicContact CG1-CD2 3.82Å; V194-L396 HydrophobicContact CG1-CG 4.25Å
195S98.2Very high97.9Very high13 Ų1331 Ų319%0.09115%0.153CC..Hα-helixtrans-60.6-37.3176.7-62.70000112.5H191 E192 I193H191-S195 PolarHBondContact CE1-OG 3.12Å; H191-S195 WeakPolarHBondContact O-CB 3.35Å; H191-S195 PolarHBondContact O-N 3.45Å; H191-S195 PolarHBondContact O-OG 2.91Å; E192-S195 PolarHBondContact O-N 3.5Å; I193-S195 VanDerWaalsContact C-N 3.34Å
196C98.7Very high98Very high3 Ų333.6 Ų33.62%0.0217%0.167CC..Hα-helixtrans-63-44.1171.2-81.50000112.8R32 R36 W86 E192 I193 V194 V198 I199R32-C196 PolarHBondContact NH2-O 3.47Å; R36-C196 WeakPolarHBondContact CD-SG 3.3Å; W86-C196 HydrophobicContact CH2-CB 3.44Å; W86-C196 VanDerWaalsContact CH2-CB 3.44Å; W86-C196 HydrophobicContact CZ2-CB 3.54Å; W86-C196 HydrophobicContact CZ3-CB 4.4Å; E192-C196 PolarHBondContact O-N 3.29Å; I193-C196 WeakPolarHBondContact O-CB 3.47Å; I193-C196 PolarHBondContact O-N 2.68Å; V194-C196 VanDerWaalsContact C-N 3.29Å; V194-C196 PolarHBondContact O-N 3Å; C196-V198 VanDerWaalsContact C-N 3.33Å; C196-V198 PolarHBondContact O-N 3.33Å; C196-I199 PolarHBondContact O-N 2.84Å
197R98.8Very high98.2Very high3 Ų327.5 Ų27.51%0.01114%0.144CC..Hα-helixtrans-67.4-29.3-179.2-78.4-177.360.7-171.2-1113.8W86 I193 V194 I199 K200 D388 D391 V392W86-R197 HydrophobicContact CB-CG 4.48Å; W86-R197 HydrophobicContact CD2-CG 3.85Å; W86-R197 HydrophobicContact CG-CG 3.74Å; I193-R197 PolarHBondContact O-N 2.9Å; V194-R197 PolarHBondContact O-N 2.66Å; V194-R197 VanDerWaalsContact O-N 3.09Å; R197-I199 VanDerWaalsContact C-N 3.29Å; R197-I199 PolarHBondContact O-N 3.12Å; R197-K200 WeakPolarHBondContact O-CE 3.37Å; R197-K200 PolarHBondContact O-NZ 2.78Å; R197-D388 IonicContact CZ-OD2 3.27Å; R197-D388 IonicContact NH1-OD2 2.84Å; R197-D388 PolarHBondContact NH1-OD2 3.04Å; R197-D388 IonicContact NH2-OD2 2.84Å; R197-D388 PolarHBondContact NH2-OD2 3.09Å; R197-D391 IonicContact CZ-OD1 2.84Å; R197-D391 IonicContact NE-OD1 3.68Å; R197-D391 IonicContact NH2-OD1 3.55Å; R197-D391 PolarHBondContact NH2-OD1 2.8Å; R197-V392 HydrophobicContact CB-CG2 3.82Å; R197-V392 HydrophobicContact CG-CG2 4.47Å
198V98.8Very high98.4Very high1 Ų120.7 Ų20.71%0.00611%0.108CC..Hα-helixtrans-60.5-39.6177.3169.60000111.6V194 C196 K200 L384 V392 M421V194-V198 WeakPolarHBondContact O-CG2 3.5Å; V194-V198 PolarHBondContact O-N 3.48Å; C196-V198 VanDerWaalsContact C-N 3.33Å; C196-V198 PolarHBondContact O-N 3.33Å; V198-K200 PolarHBondContact O-NZ 3.47Å; V198-L384 HydrophobicContact CG1-CD2 4.21Å; V198-L384 HydrophobicContact CG2-CD1 4.22Å; V198-V392 WeakPolarHBondContact CG2-O 3.24Å; V198-M421 HydrophobicContact CG1-CE 3.53Å; V198-M421 HydrophobicContact CG1-CG 4Å; V198-M421 HydrophobicContact CG1-SD 4.42Å
199I98.7Very high98.6Very high41 Ų4123.8 Ų23.821%0.2112%0.119CC..SBendtrans-103.9110.7-176.5-52.9-59000109.2R32 C196 R197 Q418 N420 M421R32-I199 PolarHBondContact NH2-O 2.88Å; C196-I199 PolarHBondContact O-N 2.84Å; R197-I199 VanDerWaalsContact C-N 3.29Å; R197-I199 PolarHBondContact O-N 3.12Å; I199-Q418 HydrophobicContact CD1-CB 4.11Å; I199-N420 HydrophobicContact CG2-CB 3.87Å; I199-M421 HydrophobicContact CD1-CE 4.24Å; I199-M421 HydrophobicContact CD1-CG 3.85Å
200K98.9Very high98.6Very high4 Ų424.2 Ų24.22%0.01712%0.121CC..  trans-77.5145.4-175.6-79.757.3176173.60110.8R197 V198 E204 L205 I208 L385 D391 N420 V422R197-K200 WeakPolarHBondContact O-CE 3.37Å; R197-K200 PolarHBondContact O-NZ 2.78Å; V198-K200 PolarHBondContact O-NZ 3.47Å; K200-E204 HydrophobicContact CB-CB 4.09Å; K200-E204 HydrophobicContact CG-CB 4.13Å; K200-L205 HydrophobicContact CB-CD2 3.44Å; K200-L205 VanDerWaalsContact CB-CD2 3.44Å; K200-L205 HydrophobicContact CB-CG 3.81Å; K200-L205 HydrophobicContact CG-CD2 4.04Å; K200-I208 HydrophobicContact CG-CD1 3.84Å; K200-L385 WeakPolarHBondContact CE-O 3.39Å; K200-L385 PolarHBondContact NZ-O 2.93Å; K200-D391 IonicContact NZ-OD2 3.48Å; K200-D391 PolarHBondContact NZ-OD2 3.39Å; K200-N420 PolarHBondContact N-O 3.49Å; K200-N420 WeakPolarHBondContact O-CB 3.34Å; K200-V422 HydrophobicContact CB-CG2 4.41Å; K200-V422 HydrophobicContact CD-CG2 3.96Å; K200-V422 HydrophobicContact CG-CG2 3.91Å
201T98.7Very high98.6Very high22 Ų2222.8 Ų22.814%0.13511%0.114CC..  trans-78.8160.8164.559.90000110.8M203 E204 L205T201-M203 PolarHBondContact O-N 2.87Å; T201-E204 PolarHBondContact N-OE2 2.93Å; T201-E204 WeakPolarHBondContact O-CA 3.42Å; T201-E204 WeakPolarHBondContact O-CB 3.47Å; T201-E204 PolarHBondContact O-N 2.71Å; T201-E204 VanDerWaalsContact OG1-CG 3.26Å; T201-E204 WeakPolarHBondContact OG1-CG 3.14Å; T201-E204 PolarHBondContact OG1-N 3.29Å; T201-E204 PolarHBondContact OG1-OE2 3Å; T201-L205 WeakPolarHBondContact O-CG 3.46Å; T201-L205 PolarHBondContact O-N 3.13Å
202D98.5Very high98.7Very high113 Ų11320.9 Ų20.960%0.60411%0.105SC*.Hα-helixtrans-54.7-39.5175.9-60.8-25000112.4E204 L205 D206D202-E204 PolarHBondContact O-N 3.49Å; D202-L205 PolarHBondContact O-N 2.83Å; D202-D206 PolarHBondContact O-N 3.05Å
203M98.6Very high98.7Very high55 Ų5527.8 Ų27.827%0.27113%0.131SC..Hα-helixtrans-65-36.7176.3-71.4-176.5-79.500112.6P22 Q24 L25 A28 T201 V207P22-M203 HydrophobicContact CG-CG 4.46Å; P22-M203 HydrophobicContact CG-SD 3.87Å; Q24-M203 HydrophobicContact CB-CE 4.31Å; Q24-M203 HydrophobicContact CB-SD 4.08Å; Q24-M203 WeakPolarHBondContact O-CE 3.41Å; L25-M203 HydrophobicContact CB-CB 3.96Å; L25-M203 HydrophobicContact CB-SD 4.16Å; L25-M203 HydrophobicContact CD1-CB 4.06Å; L25-M203 HydrophobicContact CG-CB 3.89Å; L25-M203 PolarHBondContact N-SD 2.99Å; A28-M203 HydrophobicContact CB-CE 3.85Å; T201-M203 PolarHBondContact O-N 2.87Å; M203-V207 WeakPolarHBondContact O-CG2 3.43Å
204E98.9Very high98.7Very high2 Ų228.6 Ų28.61%0.00914%0.135CC..Hα-helixtrans-68.5-41.4173.2-68.7173.2114.900111.4L25 N29 R32 W86 K200 T201 D202 D206 V207 I208 Y297L25-E204 HydrophobicContact CD1-CG 4.13Å; L25-E204 HydrophobicContact CD2-CG 3.92Å; L25-E204 HydrophobicContact CG-CG 4.01Å; N29-E204 PolarHBondContact ND2-OE1 2.93Å; R32-E204 IonicContact NH1-OE2 3.9Å; R32-E204 PolarHBondContact NH1-OE2 3.09Å; W86-E204 PolarHBondContact NE1-OE1 3.12Å; K200-E204 HydrophobicContact CB-CB 4.09Å; K200-E204 HydrophobicContact CG-CB 4.13Å; T201-E204 PolarHBondContact N-OE2 2.93Å; T201-E204 WeakPolarHBondContact O-CA 3.42Å; T201-E204 WeakPolarHBondContact O-CB 3.47Å; T201-E204 PolarHBondContact O-N 2.71Å; T201-E204 VanDerWaalsContact OG1-CG 3.26Å; T201-E204 WeakPolarHBondContact OG1-CG 3.14Å; T201-E204 PolarHBondContact OG1-N 3.29Å; T201-E204 PolarHBondContact OG1-OE2 3Å; D202-E204 PolarHBondContact O-N 3.49Å; E204-D206 VanDerWaalsContact C-N 3.26Å; E204-D206 PolarHBondContact O-N 2.64Å; E204-V207 PolarHBondContact O-N 3.49Å; E204-V207 VanDerWaalsContact O-N 3.15Å; E204-I208 WeakPolarHBondContact O-CG1 3.23Å; E204-I208 PolarHBondContact O-N 3Å; E204-Y297 HydrophobicContact CB-CE1 3.98Å; E204-Y297 HydrophobicContact CG-CE1 3.89Å; E204-Y297 WeakPolarHBondContact CG-OH 3.41Å; E204-Y297 PolarHBondContact OE1-OH 2.7Å
205L98.8Very high98.7Very high2 Ų228.5 Ų28.51%0.0113%0.134CC..Hα-helixtrans-61-36.1177.3-65.6178.8000111.6K200 T201 D202 V207 I208 R209 V422 I470K200-L205 HydrophobicContact CB-CD2 3.44Å; K200-L205 VanDerWaalsContact CB-CD2 3.44Å; K200-L205 HydrophobicContact CB-CG 3.81Å; K200-L205 HydrophobicContact CG-CD2 4.04Å; T201-L205 WeakPolarHBondContact O-CG 3.46Å; T201-L205 PolarHBondContact O-N 3.13Å; D202-L205 PolarHBondContact O-N 2.83Å; L205-V207 VanDerWaalsContact C-N 3.33Å; L205-V207 PolarHBondContact O-N 3.21Å; L205-I208 PolarHBondContact O-N 3.14Å; L205-R209 WeakPolarHBondContact O-CB 3.36Å; L205-R209 VanDerWaalsContact O-CG 3.3Å; L205-R209 WeakPolarHBondContact O-CG 3.15Å; L205-R209 PolarHBondContact O-N 3.13Å; L205-V422 HydrophobicContact CD2-CG2 3.56Å; L205-I470 HydrophobicContact CB-CD1 4.11Å; L205-I470 HydrophobicContact CD1-CD1 4.15Å; L205-I470 HydrophobicContact CD1-CG2 4.01Å; L205-I470 HydrophobicContact CD2-CD1 3.65Å; L205-I470 HydrophobicContact CD2-CG1 3.87Å; L205-I470 HydrophobicContact CD2-CG2 3.92Å; L205-I470 HydrophobicContact CG-CD1 4.16Å
206D98.6Very high98.8Very high80 Ų8027.9 Ų27.943%0.42813%0.13SC..Hα-helixtrans-63.7-37.1175.5-73-15.5000112.9D202 E204 R209 Y210D202-D206 PolarHBondContact O-N 3.05Å; E204-D206 VanDerWaalsContact C-N 3.26Å; E204-D206 PolarHBondContact O-N 2.64Å; D206-R209 IonicContact OD1-NH1 3.95Å; D206-R209 PolarHBondContact OD1-NH1 3.35Å; D206-Y210 PolarHBondContact O-N 2.8Å; D206-Y210 VanDerWaalsContact O-N 3.09Å
207V98.8Very high98.8Very high1 Ų128.3 Ų28.31%0.00613%0.134CC..Hα-helixtrans-68.1-43.2173.6-166.10000110.8L19 I21 L25 M203 E204 L205 R209 Y210 T211 Y294 Y297L19-V207 HydrophobicContact CD2-CB 4.34Å; L19-V207 HydrophobicContact CD2-CG1 4.46Å; L19-V207 HydrophobicContact CD2-CG2 4.2Å; I21-V207 HydrophobicContact CD1-CB 4.4Å; I21-V207 HydrophobicContact CD1-CG1 3.74Å; I21-V207 HydrophobicContact CD1-CG2 3.68Å; I21-V207 HydrophobicContact CG1-CG2 3.97Å; I21-V207 HydrophobicContact CG2-CG2 4.09Å; L25-V207 HydrophobicContact CD1-CG2 4Å; M203-V207 WeakPolarHBondContact O-CG2 3.43Å; E204-V207 PolarHBondContact O-N 3.49Å; E204-V207 VanDerWaalsContact O-N 3.15Å; L205-V207 VanDerWaalsContact C-N 3.33Å; L205-V207 PolarHBondContact O-N 3.21Å; V207-R209 PolarHBondContact O-N 3.13Å; V207-Y210 WeakPolarHBondContact O-CA 3.33Å; V207-Y210 WeakPolarHBondContact O-CB 3.34Å; V207-Y210 PolarHBondContact O-N 3.05Å; V207-Y210 VanDerWaalsContact O-N 3.12Å; V207-T211 WeakPolarHBondContact O-CG2 3.34Å; V207-T211 PolarHBondContact O-N 3.14Å; V207-Y294 HydrophobicContact CG1-CD1 4.18Å; V207-Y297 HydrophobicContact CB-CD2 4.09Å; V207-Y297 HydrophobicContact CB-CG 4.04Å; V207-Y297 HydrophobicContact CG1-CD2 3.73Å; V207-Y297 HydrophobicContact CG1-CG 3.82Å; V207-Y297 HydrophobicContact CG2-CD2 4.4Å
208I98.9Very high98.8Very high0 Ų028.2 Ų28.20%013%0.133CC..Hα-helixtrans-67.5-35.5179.5-63170.4000111.6K200 E204 L205 Y210 T211 N212 Y297 V422 L479K200-I208 HydrophobicContact CG-CD1 3.84Å; E204-I208 WeakPolarHBondContact O-CG1 3.23Å; E204-I208 PolarHBondContact O-N 3Å; L205-I208 PolarHBondContact O-N 3.14Å; I208-Y210 VanDerWaalsContact C-N 3.32Å; I208-T211 WeakPolarHBondContact CA-OG1 3.3Å; I208-T211 PolarHBondContact O-N 3.42Å; I208-T211 PolarHBondContact O-OG1 2.94Å; I208-N212 WeakPolarHBondContact O-CB 3.4Å; I208-N212 PolarHBondContact O-N 3.43Å; I208-N212 PolarHBondContact O-ND2 2.89Å; I208-Y297 HydrophobicContact CD1-CD1 4.24Å; I208-Y297 HydrophobicContact CG1-CD1 3.92Å; I208-V422 HydrophobicContact CD1-CG2 3.98Å; I208-V422 HydrophobicContact CG2-CG1 4.08Å; I208-L479 HydrophobicContact CG2-CD1 3.67Å
209R98.9Very high98.8Very high79 Ų7928.2 Ų28.230%0.29813%0.133SC..Hα-helixtrans-60.7-42.6169.7-77175.9-172.6111.96.9111L205 D206 V207 R213 E477 L479L205-R209 WeakPolarHBondContact O-CB 3.36Å; L205-R209 VanDerWaalsContact O-CG 3.3Å; L205-R209 WeakPolarHBondContact O-CG 3.15Å; L205-R209 PolarHBondContact O-N 3.13Å; D206-R209 IonicContact OD1-NH1 3.95Å; D206-R209 PolarHBondContact OD1-NH1 3.35Å; V207-R209 PolarHBondContact O-N 3.13Å; R209-R213 WeakPolarHBondContact O-CB 3.24Å; R209-R213 PolarHBondContact O-N 3.11Å; R209-E477 IonicContact CZ-OE1 2.73Å; R209-E477 IonicContact CZ-OE2 2.68Å; R209-E477 IonicContact NE-OE1 3.41Å; R209-E477 PolarHBondContact NE-OE1 3.01Å; R209-E477 IonicContact NE-OE2 3.19Å; R209-E477 IonicContact NH2-OE1 3.54Å; R209-E477 IonicContact NH2-OE2 2.85Å; R209-E477 PolarHBondContact NH2-OE2 3.27Å; R209-L479 HydrophobicContact CG-CD2 3.67Å
210Y98.8Very high98.8Very high9 Ų928.8 Ų28.84%0.03513%0.133CC..Hα-helixtrans-63.6-43.3175.8-179.4-100.1000112.1C18 L19 D206 V207 I208 N212 R213 I214 G247 M249 Y294C18-Y210 WeakPolarHBondContact CA-OH 3.49Å; C18-Y210 VanDerWaalsContact CB-OH 3.27Å; C18-Y210 WeakPolarHBondContact CB-OH 3.43Å; C18-Y210 PolarHBondContact SG-OH 3.15Å; C18-Y210 VanDerWaalsContact SG-OH 3.38Å; L19-Y210 HydrophobicContact CB-CD1 3.99Å; L19-Y210 HydrophobicContact CB-CD2 3.61Å; L19-Y210 HydrophobicContact CB-CE1 4.24Å; L19-Y210 HydrophobicContact CB-CE2 3.91Å; L19-Y210 HydrophobicContact CB-CG 3.67Å; L19-Y210 HydrophobicContact CD2-CG 4.07Å; L19-Y210 HydrophobicContact CG-CG 4.42Å; D206-Y210 PolarHBondContact O-N 2.8Å; D206-Y210 VanDerWaalsContact O-N 3.09Å; V207-Y210 WeakPolarHBondContact O-CA 3.33Å; V207-Y210 WeakPolarHBondContact O-CB 3.34Å; V207-Y210 PolarHBondContact O-N 3.05Å; V207-Y210 VanDerWaalsContact O-N 3.12Å; I208-Y210 VanDerWaalsContact C-N 3.32Å; Y210-N212 PolarHBondContact O-N 3.41Å; Y210-R213 VanDerWaalsContact CE2-NH2 3.27Å; Y210-R213 PolarHBondContact O-N 2.96Å; Y210-I214 HydrophobicContact CD1-CG1 4.44Å; Y210-I214 HydrophobicContact CD2-CG1 4.49Å; Y210-I214 HydrophobicContact CE1-CG1 4.01Å; Y210-I214 HydrophobicContact CE2-CD1 4.17Å; Y210-I214 HydrophobicContact CE2-CG1 4.06Å; Y210-I214 WeakPolarHBondContact O-CG1 3.21Å; Y210-I214 PolarHBondContact O-N 2.74Å; Y210-I214 VanDerWaalsContact O-N 3.12Å; Y210-G247 WeakPolarHBondContact CE1-O 3.11Å; Y210-G247 WeakPolarHBondContact OH-CA 3.41Å; Y210-G247 PolarHBondContact OH-O 3.03Å; Y210-G247 VanDerWaalsContact OH-O 3.11Å; Y210-M249 HydrophobicContact CD1-CE 4.46Å; Y210-M249 HydrophobicContact CE1-CE 4.46Å; Y210-Y294 AromaticContact CD1-CD1 3.69Å; Y210-Y294 HydrophobicContact CD1-CD1 3.69Å; Y210-Y294 HydrophobicContact CD1-CE1 4.21Å; Y210-Y294 AromaticContact CD1-CG 3.86Å; Y210-Y294 HydrophobicContact CD1-CG 3.86Å; Y210-Y294 AromaticContact CE1-CD1 3.81Å; Y210-Y294 HydrophobicContact CE1-CD1 3.81Å; Y210-Y294 AromaticContact CE1-CD2 3.93Å; Y210-Y294 HydrophobicContact CE1-CD2 3.93Å; Y210-Y294 HydrophobicContact CE1-CE1 4.09Å; Y210-Y294 HydrophobicContact CE1-CE2 4.22Å; Y210-Y294 AromaticContact CE1-CG 3.72Å; Y210-Y294 HydrophobicContact CE1-CG 3.72Å
211T98.9Very high98.7Very high0 Ų031.7 Ų31.70%015%0.146CC..Hα-helixtrans-62.6-45.8179.860.60000111.1V207 I208 R213 I214 S215 M249 Y297 S298V207-T211 WeakPolarHBondContact O-CG2 3.34Å; V207-T211 PolarHBondContact O-N 3.14Å; I208-T211 WeakPolarHBondContact CA-OG1 3.3Å; I208-T211 PolarHBondContact O-N 3.42Å; I208-T211 PolarHBondContact O-OG1 2.94Å; T211-R213 PolarHBondContact O-N 3.33Å; T211-I214 PolarHBondContact O-N 2.8Å; T211-S215 WeakPolarHBondContact O-CB 3.34Å; T211-S215 PolarHBondContact O-N 2.81Å; T211-S215 PolarHBondContact O-OG 2.94Å; T211-S215 VanDerWaalsContact O-OG 3.13Å; T211-M249 VanDerWaalsContact CA-CE 3.41Å; T211-M249 HydrophobicContact CG2-CE 3.97Å; T211-Y297 VanDerWaalsContact CG2-O 3.23Å; T211-Y297 WeakPolarHBondContact CG2-O 3.3Å; T211-S298 PolarHBondContact OG1-O 3.11Å
212N98.9Very high98.6Very high0 Ų030.6 Ų30.60%014%0.14CC..Hα-helixtrans-61.4-42.3175-94.6-90.4000113.2I208 Y210 I214 S216 N468 L479 T480I208-N212 WeakPolarHBondContact O-CB 3.4Å; I208-N212 PolarHBondContact O-N 3.43Å; I208-N212 PolarHBondContact O-ND2 2.89Å; Y210-N212 PolarHBondContact O-N 3.41Å; N212-I214 PolarHBondContact O-N 2.91Å; N212-S216 WeakPolarHBondContact O-CB 3.3Å; N212-S216 PolarHBondContact O-N 3.18Å; N212-S216 PolarHBondContact O-OG 2.94Å; N212-N468 PolarHBondContact ND2-OD1 3.43Å; N212-N468 WeakPolarHBondContact OD1-CB 3.48Å; N212-N468 PolarHBondContact OD1-OD1 3.28Å; N212-N468 VanDerWaalsContact OD1-OD1 3.13Å; N212-L479 HydrophobicContact CB-CB 3.77Å; N212-T480 PolarHBondContact OD1-OG1 3.45Å; N212-T480 VanDerWaalsContact OD1-OG1 3.13Å
213R98.8Very high98.5Very high154 Ų15425.3 Ų25.358%0.58111%0.111SC*.Hα-helixtrans-60.7-47.3179.1-177.9176.767.3175.94.2112.2R209 Y210 T211 A217R209-R213 WeakPolarHBondContact O-CB 3.24Å; R209-R213 PolarHBondContact O-N 3.11Å; Y210-R213 VanDerWaalsContact CE2-NH2 3.27Å; Y210-R213 PolarHBondContact O-N 2.96Å; T211-R213 PolarHBondContact O-N 3.33Å; R213-A217 WeakPolarHBondContact O-CB 3.38Å; R213-A217 PolarHBondContact O-N 3.27Å; R213-A217 VanDerWaalsContact O-N 3.08Å
214I98.8Very high98.4Very high17 Ų1724.3 Ų24.39%0.08710%0.104CC..Hα-helixtrans-69-48-179.8-61.4-59.5000110.6Y210 T211 N212 S216 A217 A218 C243 M249Y210-I214 HydrophobicContact CD1-CG1 4.44Å; Y210-I214 HydrophobicContact CD2-CG1 4.49Å; Y210-I214 HydrophobicContact CE1-CG1 4.01Å; Y210-I214 HydrophobicContact CE2-CD1 4.17Å; Y210-I214 HydrophobicContact CE2-CG1 4.06Å; Y210-I214 WeakPolarHBondContact O-CG1 3.21Å; Y210-I214 PolarHBondContact O-N 2.74Å; Y210-I214 VanDerWaalsContact O-N 3.12Å; T211-I214 PolarHBondContact O-N 2.8Å; N212-I214 PolarHBondContact O-N 2.91Å; I214-S216 VanDerWaalsContact C-N 3.32Å; I214-S216 PolarHBondContact O-N 3.21Å; I214-A217 PolarHBondContact O-N 2.95Å; I214-A217 VanDerWaalsContact O-N 3.17Å; I214-A218 WeakPolarHBondContact O-CB 3.36Å; I214-A218 PolarHBondContact O-N 2.97Å; I214-C243 HydrophobicContact CG2-CB 4.42Å; I214-M249 HydrophobicContact CB-CE 3.68Å; I214-M249 HydrophobicContact CB-SD 4.13Å; I214-M249 HydrophobicContact CG1-CE 4.12Å; I214-M249 HydrophobicContact CG2-CE 4.01Å; I214-M249 HydrophobicContact CG2-SD 3.77Å
215S98.9Very high98.2Very high0 Ų025.6 Ų25.60%011%0.114CC..Hα-helixtrans-62.2-38.6179.3-64.60000112.1T211 A218 H219 G292 S299T211-S215 WeakPolarHBondContact O-CB 3.34Å; T211-S215 PolarHBondContact O-N 2.81Å; T211-S215 PolarHBondContact O-OG 2.94Å; T211-S215 VanDerWaalsContact O-OG 3.13Å; S215-A218 WeakPolarHBondContact O-CB 3.23Å; S215-A218 PolarHBondContact O-N 3.02Å; S215-H219 PolarHBondContact O-CD2 3.34Å; S215-H219 VanDerWaalsContact O-CD2 3.24Å; S215-H219 PolarHBondContact O-N 3.43Å; S215-G292 PolarHBondContact OG-N 3.07Å; S215-S299 WeakPolarHBondContact CB-OG 3.42Å; S215-S299 PolarHBondContact OG-OG 3.24Å
216S98.9Very high98Very high0 Ų025.5 Ų25.50%011%0.113CC..Hα-helixtrans-62.1-45.7173.1-64.50000111.7N212 I214 A218 H219 R220 I301 D481N212-S216 WeakPolarHBondContact O-CB 3.3Å; N212-S216 PolarHBondContact O-N 3.18Å; N212-S216 PolarHBondContact O-OG 2.94Å; I214-S216 VanDerWaalsContact C-N 3.32Å; I214-S216 PolarHBondContact O-N 3.21Å; S216-A218 VanDerWaalsContact C-N 3.32Å; S216-A218 PolarHBondContact O-N 2.92Å; S216-H219 PolarHBondContact O-N 2.86Å; S216-R220 WeakPolarHBondContact O-CG 3.5Å; S216-R220 PolarHBondContact O-N 2.98Å; S216-I301 WeakPolarHBondContact OG-CD1 3.43Å; S216-D481 WeakPolarHBondContact CB-O 3.34Å; S216-D481 PolarHBondContact OG-N 3.26Å
217A98.7Very high97.9Very high12 Ų1226.3 Ų26.310%0.09911%0.113CC..Hα-helixtrans-63.8-37.6176.400000112.3R213 I214 R220 H221 Y242R213-A217 WeakPolarHBondContact O-CB 3.38Å; R213-A217 PolarHBondContact O-N 3.27Å; R213-A217 VanDerWaalsContact O-N 3.08Å; I214-A217 PolarHBondContact O-N 2.95Å; I214-A217 VanDerWaalsContact O-N 3.17Å; A217-R220 PolarHBondContact O-N 3.32Å; A217-H221 WeakPolarHBondContact O-CB 3.47Å; A217-H221 PolarHBondContact O-N 3.3Å; A217-Y242 HydrophobicContact CB-CE1 3.7Å; A217-Y242 WeakPolarHBondContact CB-OH 3.25Å
218A98.7Very high97.8Very high0 Ų029 Ų290%013%0.131CC..Hα-helixtrans-64-43.4174.200000111.9I214 S215 S216 H221 L222 F239 Y242I214-A218 WeakPolarHBondContact O-CB 3.36Å; I214-A218 PolarHBondContact O-N 2.97Å; S215-A218 WeakPolarHBondContact O-CB 3.23Å; S215-A218 PolarHBondContact O-N 3.02Å; S216-A218 VanDerWaalsContact C-N 3.32Å; S216-A218 PolarHBondContact O-N 2.92Å; A218-H221 PolarHBondContact O-N 3.17Å; A218-L222 VanDerWaalsContact O-CB 3.26Å; A218-L222 WeakPolarHBondContact O-CB 3.3Å; A218-L222 PolarHBondContact O-N 3.19Å; A218-F239 HydrophobicContact CB-CD2 3.51Å; A218-F239 HydrophobicContact CB-CE2 3.41Å; A218-F239 VanDerWaalsContact CB-CE2 3.41Å; A218-F239 HydrophobicContact CB-CG 4.25Å; A218-F239 HydrophobicContact CB-CZ 4.09Å; A218-Y242 HydrophobicContact CB-CD1 3.56Å; A218-Y242 HydrophobicContact CB-CE1 4.36Å; A218-Y242 HydrophobicContact CB-CG 3.86Å
219H98.8Very high97.7Very high1 Ų130.9 Ų30.91%0.00515%0.15CC..Hα-helixtrans-60.8-46173.4-87.7-66.5000112.3S215 S216 H221 L222 M223 F239 F288 M290 I301 V482S215-H219 PolarHBondContact O-CD2 3.34Å; S215-H219 VanDerWaalsContact O-CD2 3.24Å; S215-H219 PolarHBondContact O-N 3.43Å; S216-H219 PolarHBondContact O-N 2.86Å; H219-H221 VanDerWaalsContact C-N 3.32Å; H219-H221 PolarHBondContact O-N 3.36Å; H219-L222 WeakPolarHBondContact O-CB 3.45Å; H219-L222 PolarHBondContact O-N 3.04Å; H219-L222 VanDerWaalsContact O-N 3.16Å; H219-M223 WeakPolarHBondContact O-CG 3.45Å; H219-M223 PolarHBondContact O-N 2.91Å; H219-F239 AromaticContact CD2-CE2 3.47Å; H219-F239 VanDerWaalsContact CD2-CE2 3.47Å; H219-F239 WeakPolarHBondContact CD2-CE2 3.19Å; H219-F239 AromaticContact CE1-CE2 3.95Å; H219-F239 AromaticContact CG-CE2 3.8Å; H219-F239 AromaticContact NE2-CE2 3.56Å; H219-F239 AromaticContact NE2-CZ 3.88Å; H219-F288 PolarHBondContact CE1-O 2.77Å; H219-M290 PolarHBondContact NE2-O 3.13Å; H219-I301 VanDerWaalsContact CD2-CG2 3.47Å; H219-I301 WeakPolarHBondContact CD2-CG2 3.37Å; H219-I301 PolarHBondContact CE1-O 2.98Å; H219-I301 VanDerWaalsContact CE1-O 3.3Å; H219-I301 PolarHBondContact NE2-O 3.45Å; H219-V482 HydrophobicContact CB-CG1 4Å
220R98.2Very high97.7Very high53 Ų5328.9 Ų28.920%0.214%0.144CC..Hα-helixtrans-60.9-41.4175.8-73.9-165.8-50.6-106.19.8112.2S216 A217 D481 V482 W492S216-R220 WeakPolarHBondContact O-CG 3.5Å; S216-R220 PolarHBondContact O-N 2.98Å; A217-R220 PolarHBondContact O-N 3.32Å; R220-D481 IonicContact CZ-OD2 3.62Å; R220-D481 PolarHBondContact NH1-O 2.91Å; R220-D481 IonicContact NH1-OD1 3.7Å; R220-D481 IonicContact NH1-OD2 3.28Å; R220-D481 PolarHBondContact NH1-OD2 3.32Å; R220-D481 IonicContact NH2-OD2 3.38Å; R220-V482 HydrophobicContact CG-CG1 4.38Å; R220-W492 HydrophobicContact CB-CZ2 3.63Å; R220-W492 HydrophobicContact CG-CZ2 4.13Å; R220-W492 PolarHBondContact O-NE1 2.85Å
221H97.6Very high97.7Very high65 Ų6532.7 Ų32.730%0.30116%0.159SC..Hα-helixtrans-62.8-45.8173.7-179.576.8000110.6A217 A218 H219 M223 R224 S225 Y242A217-H221 WeakPolarHBondContact O-CB 3.47Å; A217-H221 PolarHBondContact O-N 3.3Å; A218-H221 PolarHBondContact O-N 3.17Å; H219-H221 VanDerWaalsContact C-N 3.32Å; H219-H221 PolarHBondContact O-N 3.36Å; H221-M223 PolarHBondContact O-N 3.26Å; H221-R224 PolarHBondContact O-N 3.48Å; H221-R224 VanDerWaalsContact O-N 3.12Å; H221-S225 PolarHBondContact CE1-OG 3.37Å; H221-S225 PolarHBondContact NE2-OG 3.12Å; H221-S225 VanDerWaalsContact NE2-OG 3.14Å; H221-S225 PolarHBondContact O-N 3.39Å; H221-S225 PolarHBondContact O-OG 2.77Å; H221-S225 VanDerWaalsContact O-OG 3.07Å; H221-Y242 HydrophobicContact CB-CD2 3.78Å; H221-Y242 HydrophobicContact CB-CE2 3.83Å; H221-Y242 AromaticContact CD2-CD2 3.97Å; H221-Y242 AromaticContact CG-CD2 3.75Å
222L96.6Very high97.7Very high0 Ų032.7 Ų32.70%016%0.159CC..Hα-helixtrans-59-45.4-179.7-17364.9000113A218 H219 R224 S225 V226 A235 I238 F239 F288 M290A218-L222 VanDerWaalsContact O-CB 3.26Å; A218-L222 WeakPolarHBondContact O-CB 3.3Å; A218-L222 PolarHBondContact O-N 3.19Å; H219-L222 WeakPolarHBondContact O-CB 3.45Å; H219-L222 PolarHBondContact O-N 3.04Å; H219-L222 VanDerWaalsContact O-N 3.16Å; L222-R224 PolarHBondContact O-N 3.08Å; L222-R224 VanDerWaalsContact O-N 3.1Å; L222-S225 PolarHBondContact O-N 3.46Å; L222-S225 VanDerWaalsContact O-N 3.14Å; L222-V226 HydrophobicContact CD1-CG2 3.65Å; L222-V226 HydrophobicContact CG-CG2 4.11Å; L222-V226 PolarHBondContact O-N 3Å; L222-A235 HydrophobicContact CD1-CB 3.94Å; L222-A235 WeakPolarHBondContact CD1-O 3.4Å; L222-I238 HydrophobicContact CD1-CB 3.9Å; L222-I238 HydrophobicContact CD1-CG2 3.81Å; L222-F239 HydrophobicContact CD2-CB 4.32Å; L222-F239 HydrophobicContact CD2-CD2 4.34Å; L222-F288 HydrophobicContact CD2-CB 4.34Å; L222-F288 HydrophobicContact CD2-CD2 3.38Å; L222-F288 HydrophobicContact CD2-CE2 3.97Å; L222-F288 HydrophobicContact CD2-CG 4.18Å; L222-F288 HydrophobicContact CG-CD2 3.95Å; L222-F288 HydrophobicContact CG-CE2 4.13Å; L222-M290 HydrophobicContact CD2-CE 4.27Å; L222-M290 HydrophobicContact CD2-SD 4.03Å
223M97Very high97.7Very high1 Ų137.9 Ų37.91%0.00518%0.18CC..Hα-helixtrans-54.5-29.8176.6-75.4179.3-17700113.1H219 H221 C303 F305 P483 M493H219-M223 WeakPolarHBondContact O-CG 3.45Å; H219-M223 PolarHBondContact O-N 2.91Å; H221-M223 PolarHBondContact O-N 3.26Å; M223-C303 HydrophobicContact CE-CB 3.5Å; M223-C303 VanDerWaalsContact CE-CB 3.5Å; M223-C303 VanDerWaalsContact CE-SG 3.57Å; M223-F305 HydrophobicContact CE-CD1 4.02Å; M223-F305 HydrophobicContact CE-CE1 4.37Å; M223-F305 HydrophobicContact CG-CD1 3.89Å; M223-F305 HydrophobicContact CG-CE1 3.68Å; M223-F305 HydrophobicContact CG-CE2 4.43Å; M223-F305 HydrophobicContact CG-CG 4.36Å; M223-F305 HydrophobicContact CG-CZ 3.96Å; M223-P483 HydrophobicContact SD-CG 4.22Å; M223-M493 HydrophobicContact CB-CG 4.17Å; M223-M493 VanDerWaalsContact O-CE 3.26Å; M223-M493 WeakPolarHBondContact O-CE 3.47Å
224R95.4Very high97.6Very high34 Ų3433.8 Ų33.813%0.12817%0.167CC..Hα-helixtrans-93.5-29.1-178.7-62.9173.775.4-177.719.1112.4H221 L222 K227 S495 K496 L497H221-R224 PolarHBondContact O-N 3.48Å; H221-R224 VanDerWaalsContact O-N 3.12Å; L222-R224 PolarHBondContact O-N 3.08Å; L222-R224 VanDerWaalsContact O-N 3.1Å; R224-K227 WeakPolarHBondContact O-CE 3.44Å; R224-K227 PolarHBondContact O-NZ 3.29Å; R224-S495 PolarHBondContact NE-O 2.98Å; R224-S495 PolarHBondContact NE-OG 2.73Å; R224-S495 VanDerWaalsContact NH2-C 3.27Å; R224-S495 PolarHBondContact NH2-O 3.05Å; R224-S495 PolarHBondContact NH2-OG 3.26Å; R224-K496 PolarHBondContact NH2-O 2.95Å; R224-L497 HydrophobicContact CB-CD1 4.32Å; R224-L497 HydrophobicContact CB-CD2 3.85Å; R224-L497 HydrophobicContact CB-CG 4.06Å; R224-L497 VanDerWaalsContact NH2-CA 3.26Å
225S95.6Very high97.6Very high29 Ų2933 Ų3320%0.20316%0.163CC..Hα-helixtrans-81.5-33-177.7-62.80000113.3H221 L222H221-S225 PolarHBondContact CE1-OG 3.37Å; H221-S225 PolarHBondContact NE2-OG 3.12Å; H221-S225 VanDerWaalsContact NE2-OG 3.14Å; H221-S225 PolarHBondContact O-N 3.39Å; H221-S225 PolarHBondContact O-OG 2.77Å; H221-S225 VanDerWaalsContact O-OG 3.07Å; L222-S225 PolarHBondContact O-N 3.46Å; L222-S225 VanDerWaalsContact O-N 3.14Å
226V94.9Very high97.6Very high0 Ų034.4 Ų34.40%017%0.17CC..  trans-72.7138179.9171.40000111.6L222 A235 I280 F288L222-V226 HydrophobicContact CD1-CG2 3.65Å; L222-V226 HydrophobicContact CG-CG2 4.11Å; L222-V226 PolarHBondContact O-N 3Å; V226-A235 HydrophobicContact CG2-CB 3.66Å; V226-I280 HydrophobicContact CG1-CD1 3.62Å; V226-I280 HydrophobicContact CG1-CG2 4.12Å; V226-F288 HydrophobicContact CG1-CE2 4.42Å; V226-F288 HydrophobicContact CG1-CZ 4.43Å; V226-F288 HydrophobicContact CG2-CE2 3.98Å; V226-F288 HydrophobicContact CG2-CZ 4.49Å
227K95Very high97.6Very high97 Ų9738 Ų3842%0.42220%0.195SC..  trans-139.1152.7179.2-58.5-63.9162.3-136.50111R224 G229 M230R224-K227 WeakPolarHBondContact O-CE 3.44Å; R224-K227 PolarHBondContact O-NZ 3.29Å; K227-G229 PolarHBondContact O-N 2.82Å; K227-M230 HydrophobicContact CB-SD 4.17Å; K227-M230 PolarHBondContact N-SD 3.09Å; K227-M230 WeakPolarHBondContact O-CB 3.37Å; K227-M230 WeakPolarHBondContact O-CG 3.48Å; K227-M230 PolarHBondContact O-N 3.19Å
228P96.9Very high97.6Very high59 Ų5939.2 Ų39.238%0.38320%0.199SC..THydrogen-bonded Turntrans-48.6138.2165.6-22.127.4000111.8I280 D282 V307P228-I280 CarbonylContact C-O 3.24Å; P228-I280 WeakPolarHBondContact CA-O 3.35Å; P228-D282 HydrophobicContact CB-CB 4.04Å; P228-D282 HydrophobicContact CG-CB 4.09Å; P228-V307 HydrophobicContact CB-CG1 4.3Å; P228-V307 HydrophobicContact CG-CG1 3.76Å
229G97.8Very high97.6Very high39 Ų3939.2 Ų39.240%0.40220%0.199SC..THydrogen-bonded Turntrans95.7-18.918000000114.8K227 Q279 I280K227-G229 PolarHBondContact O-N 2.82Å; G229-Q279 PolarHBondContact O-NE2 3.19Å; G229-I280 PolarHBondContact N-O 3.21Å
230M98.2Very high97.6Very high37 Ų3745 Ų4518%0.18222%0.221CC..  trans-68171.4169.4-67.6177.367.200111.4K227 Q234 I238 Q279 I280K227-M230 HydrophobicContact CB-SD 4.17Å; K227-M230 PolarHBondContact N-SD 3.09Å; K227-M230 WeakPolarHBondContact O-CB 3.37Å; K227-M230 WeakPolarHBondContact O-CG 3.48Å; K227-M230 PolarHBondContact O-N 3.19Å; M230-Q234 VanDerWaalsContact CA-OE1 3.27Å; M230-Q234 HydrophobicContact CE-CB 3.97Å; M230-I238 HydrophobicContact CE-CD1 3.68Å; M230-Q279 CarbonylContact O-C 3.42Å; M230-Q279 WeakPolarHBondContact O-CG 3.41Å; M230-I280 HydrophobicContact CB-CD1 4.17Å; M230-I280 WeakPolarHBondContact O-CB 3.27Å; M230-I280 PolarHBondContact O-N 2.85Å
231Y98.6Very high97.6Very high88 Ų8847.9 Ų47.935%0.34524%0.237SC..BIsolated β-bridgetrans-107.1152.1171.4-67.8-91.9000111.3Y233 Q234 A235 E277 Q279Y231-Y233 VanDerWaalsContact C-N 3.29Å; Y231-Y233 AromaticContact CD1-CE1 3.95Å; Y231-Y233 HydrophobicContact CD1-CE1 3.95Å; Y231-Y233 HydrophobicContact CD2-CE1 4.21Å; Y231-Y233 HydrophobicContact CG-CD1 4.34Å; Y231-Y233 AromaticContact CG-CE1 3.55Å; Y231-Y233 HydrophobicContact CG-CE1 3.55Å; Y231-Y233 AromaticContact CG-CZ 3.95Å; Y231-Y233 PolarHBondContact O-N 2.77Å; Y231-Q234 WeakPolarHBondContact O-CA 3.33Å; Y231-Q234 VanDerWaalsContact O-CB 3.28Å; Y231-Q234 WeakPolarHBondContact O-CB 3.43Å; Y231-Q234 PolarHBondContact O-N 3.45Å; Y231-A235 PolarHBondContact O-N 3.3Å; Y231-E277 WeakPolarHBondContact CD1-O 3.22Å; Y231-Q279 HydrophobicContact CD1-CB 4.28Å; Y231-Q279 HydrophobicContact CE1-CB 4.08Å; Y231-Q279 HydrophobicContact CE1-CG 4.49Å
232Q98.7Very high97.7Very high0 Ų046.2 Ų46.20%023%0.228CC..Hα-helixtrans-57.1-39.2179.6-68.2168.8-18.800112.6Q234 A235 E236 A258 T260 D263 Y269 N276 H278 I280Q232-Q234 PolarHBondContact O-N 2.92Å; Q232-A235 WeakPolarHBondContact O-CA 3.48Å; Q232-A235 VanDerWaalsContact O-CB 3.27Å; Q232-A235 WeakPolarHBondContact O-CB 3.18Å; Q232-A235 PolarHBondContact O-N 3.19Å; Q232-E236 PolarHBondContact O-N 3.33Å; Q232-A258 HydrophobicContact CB-CB 4Å; Q232-A258 VanDerWaalsContact CB-O 3.23Å; Q232-A258 WeakPolarHBondContact CB-O 3.3Å; Q232-A258 VanDerWaalsContact CD-O 3.25Å; Q232-A258 WeakPolarHBondContact CG-O 3.33Å; Q232-A258 WeakPolarHBondContact O-CB 3.34Å; Q232-T260 HydrophobicContact CG-CG2 4.1Å; Q232-T260 VanDerWaalsContact NE2-N 3.14Å; Q232-T260 PolarHBondContact NE2-OG1 3.02Å; Q232-D263 PolarHBondContact NE2-OD2 3.38Å; Q232-Y269 PolarHBondContact OE1-OH 3.28Å; Q232-N276 CarbonylContact C-O 3.52Å; Q232-N276 HydrophobicContact CB-CB 3.9Å; Q232-N276 VanDerWaalsContact CB-O 3.29Å; Q232-N276 WeakPolarHBondContact CB-O 3.29Å; Q232-H278 WeakPolarHBondContact CG-O 3.26Å; Q232-H278 PolarHBondContact N-O 3.44Å; Q232-H278 VanDerWaalsContact N-O 3.08Å; Q232-I280 HydrophobicContact CG-CG1 4.05Å
233Y98.6Very high97.8Very high110 Ų11046.2 Ų46.243%0.43123%0.228SC..Hα-helixtrans-65.9-23.9175.868.3-101000113Y231 S237 N276Y231-Y233 VanDerWaalsContact C-N 3.29Å; Y231-Y233 AromaticContact CD1-CE1 3.95Å; Y231-Y233 HydrophobicContact CD1-CE1 3.95Å; Y231-Y233 HydrophobicContact CD2-CE1 4.21Å; Y231-Y233 HydrophobicContact CG-CD1 4.34Å; Y231-Y233 AromaticContact CG-CE1 3.55Å; Y231-Y233 HydrophobicContact CG-CE1 3.55Å; Y231-Y233 AromaticContact CG-CZ 3.95Å; Y231-Y233 PolarHBondContact O-N 2.77Å; Y233-S237 WeakPolarHBondContact O-CB 3.34Å; Y233-S237 PolarHBondContact O-N 3.14Å; Y233-N276 WeakPolarHBondContact CB-O 3.41Å; Y233-N276 WeakPolarHBondContact CD1-O 3.11Å; Y233-N276 PolarHBondContact N-O 2.53Å
234Q98.7Very high97.9Very high68 Ų6851.8 Ų51.832%0.31825%0.249SC..Hα-helixtrans-71.8-36.1172.9-60.6177-48.600110.3M230 Y231 Q232 S237 I238M230-Q234 VanDerWaalsContact CA-OE1 3.27Å; M230-Q234 HydrophobicContact CE-CB 3.97Å; Y231-Q234 WeakPolarHBondContact O-CA 3.33Å; Y231-Q234 VanDerWaalsContact O-CB 3.28Å; Y231-Q234 WeakPolarHBondContact O-CB 3.43Å; Y231-Q234 PolarHBondContact O-N 3.45Å; Q232-Q234 PolarHBondContact O-N 2.92Å; Q234-S237 PolarHBondContact O-N 3.27Å; Q234-I238 WeakPolarHBondContact O-CD1 3.31Å; Q234-I238 VanDerWaalsContact O-CG1 3.3Å; Q234-I238 WeakPolarHBondContact O-CG1 3.4Å; Q234-I238 PolarHBondContact O-N 3.43Å
235A98.5Very high98Very high0 Ų057 Ų570%027%0.273CS..Hα-helixtrans-63.7-47.117200000111.3L222 V226 Y231 Q232 S237 I238 F239 I280 F288L222-A235 HydrophobicContact CD1-CB 3.94Å; L222-A235 WeakPolarHBondContact CD1-O 3.4Å; V226-A235 HydrophobicContact CG2-CB 3.66Å; Y231-A235 PolarHBondContact O-N 3.3Å; Q232-A235 WeakPolarHBondContact O-CA 3.48Å; Q232-A235 VanDerWaalsContact O-CB 3.27Å; Q232-A235 WeakPolarHBondContact O-CB 3.18Å; Q232-A235 PolarHBondContact O-N 3.19Å; A235-S237 VanDerWaalsContact C-N 3.32Å; A235-S237 PolarHBondContact O-N 2.89Å; A235-I238 PolarHBondContact O-N 3.26Å; A235-F239 PolarHBondContact O-N 2.9Å; A235-F239 VanDerWaalsContact O-N 3.14Å; A235-I280 HydrophobicContact CB-CD1 4.29Å; A235-F288 HydrophobicContact CB-CE2 3.94Å; A235-F288 HydrophobicContact CB-CZ 3.83Å
236E98.8Very high98.1Very high30 Ų3059.6 Ų59.614%0.1428%0.282CS..Hα-helixtrans-54.2-48171.6171-176.8166.500111.5Q232 I238 F239 R240 C256 N276Q232-E236 PolarHBondContact O-N 3.33Å; E236-I238 VanDerWaalsContact C-N 3.33Å; E236-I238 PolarHBondContact O-N 3.49Å; E236-F239 PolarHBondContact O-N 2.85Å; E236-R240 HydrophobicContact CG-CG 4.19Å; E236-R240 WeakPolarHBondContact O-CG 3.4Å; E236-R240 PolarHBondContact O-N 3.34Å; E236-R240 WeakPolarHBondContact OE1-CD 3.5Å; E236-R240 IonicContact OE1-CZ 3.76Å; E236-R240 IonicContact OE1-NH1 2.91Å; E236-R240 PolarHBondContact OE1-NH1 3.24Å; E236-C256 HydrophobicContact CB-CB 4.29Å; E236-C256 HydrophobicContact CG-CB 3.71Å; E236-N276 PolarHBondContact OE2-ND2 3.27Å
237S98.8Very high98.3Very high75 Ų7559.6 Ų59.652%0.52428%0.282SS..Hα-helixtrans-60-41.6-178.5-177.30000112.5Y233 Q234 A235 H241Y233-S237 WeakPolarHBondContact O-CB 3.34Å; Y233-S237 PolarHBondContact O-N 3.14Å; Q234-S237 PolarHBondContact O-N 3.27Å; A235-S237 VanDerWaalsContact C-N 3.32Å; A235-S237 PolarHBondContact O-N 2.89Å; S237-H241 VanDerWaalsContact O-CB 3.26Å; S237-H241 WeakPolarHBondContact O-CB 3.46Å; S237-H241 PolarHBondContact O-N 3.04Å
238I98.6Very high98.4Very high37 Ų3755.5 Ų55.519%0.1927%0.267CS..Hα-helixtrans-60.5-47175.7-71.3161.7000110.9L222 M230 Q234 A235 E236 H241 Y242L222-I238 HydrophobicContact CD1-CB 3.9Å; L222-I238 HydrophobicContact CD1-CG2 3.81Å; M230-I238 HydrophobicContact CE-CD1 3.68Å; Q234-I238 WeakPolarHBondContact O-CD1 3.31Å; Q234-I238 VanDerWaalsContact O-CG1 3.3Å; Q234-I238 WeakPolarHBondContact O-CG1 3.4Å; Q234-I238 PolarHBondContact O-N 3.43Å; A235-I238 PolarHBondContact O-N 3.26Å; E236-I238 VanDerWaalsContact C-N 3.33Å; E236-I238 PolarHBondContact O-N 3.49Å; I238-H241 PolarHBondContact O-N 2.9Å; I238-Y242 PolarHBondContact O-N 2.84Å
239F98.8Very high98.5Very high0 Ų052.8 Ų52.80%025%0.25CC..Hα-helixtrans-62-51179.9-173.7-94.8000111.6A218 H219 L222 A235 E236 H241 Y242 C243 M252 M290A218-F239 HydrophobicContact CB-CD2 3.51Å; A218-F239 HydrophobicContact CB-CE2 3.41Å; A218-F239 VanDerWaalsContact CB-CE2 3.41Å; A218-F239 HydrophobicContact CB-CG 4.25Å; A218-F239 HydrophobicContact CB-CZ 4.09Å; H219-F239 AromaticContact CD2-CE2 3.47Å; H219-F239 VanDerWaalsContact CD2-CE2 3.47Å; H219-F239 WeakPolarHBondContact CD2-CE2 3.19Å; H219-F239 AromaticContact CE1-CE2 3.95Å; H219-F239 AromaticContact CG-CE2 3.8Å; H219-F239 AromaticContact NE2-CE2 3.56Å; H219-F239 AromaticContact NE2-CZ 3.88Å; L222-F239 HydrophobicContact CD2-CB 4.32Å; L222-F239 HydrophobicContact CD2-CD2 4.34Å; A235-F239 PolarHBondContact O-N 2.9Å; A235-F239 VanDerWaalsContact O-N 3.14Å; E236-F239 PolarHBondContact O-N 2.85Å; F239-H241 VanDerWaalsContact C-N 3.31Å; F239-H241 PolarHBondContact O-N 3.26Å; F239-Y242 PolarHBondContact O-N 3.2Å; F239-Y242 VanDerWaalsContact O-N 3.17Å; F239-C243 PolarHBondContact O-N 3.29Å; F239-C243 PolarHBondContact O-SG 3.09Å; F239-M252 HydrophobicContact CD1-CE 3.54Å; F239-M252 HydrophobicContact CE1-CE 3.3Å; F239-M290 HydrophobicContact CB-SD 3.57Å; F239-M290 VanDerWaalsContact CB-SD 3.57Å; F239-M290 HydrophobicContact CD1-CB 3.56Å; F239-M290 HydrophobicContact CD1-CG 4.32Å; F239-M290 HydrophobicContact CD1-SD 3.93Å; F239-M290 HydrophobicContact CD2-CB 4.13Å; F239-M290 HydrophobicContact CD2-SD 4.08Å; F239-M290 HydrophobicContact CE1-CB 3.34Å; F239-M290 HydrophobicContact CE2-CB 3.95Å; F239-M290 HydrophobicContact CG-CB 3.95Å; F239-M290 HydrophobicContact CG-CG 4.41Å; F239-M290 HydrophobicContact CG-SD 3.6Å; F239-M290 VanDerWaalsContact CG-SD 3.6Å; F239-M290 HydrophobicContact CZ-CB 3.57Å; F239-M290 VanDerWaalsContact CZ-O 3.29Å; F239-M290 WeakPolarHBondContact CZ-O 3.42Å
240R98.7Very high98.5Very high123 Ų12358.2 Ų58.246%0.46426%0.258SS..Hα-helixtrans-60.2-41.7179.4-68.117764.4-177.1-2.9111.9E236 C243 Y244 M252E236-R240 HydrophobicContact CG-CG 4.19Å; E236-R240 WeakPolarHBondContact O-CG 3.4Å; E236-R240 PolarHBondContact O-N 3.34Å; E236-R240 WeakPolarHBondContact OE1-CD 3.5Å; E236-R240 IonicContact OE1-CZ 3.76Å; E236-R240 IonicContact OE1-NH1 2.91Å; E236-R240 PolarHBondContact OE1-NH1 3.24Å; R240-C243 PolarHBondContact O-N 3.28Å; R240-Y244 PolarHBondContact O-N 2.97Å; R240-M252 HydrophobicContact CB-SD 4.38Å; R240-M252 HydrophobicContact CG-CE 4.36Å; R240-M252 HydrophobicContact CG-CG 3.96Å; R240-M252 HydrophobicContact CG-SD 3.86Å
241H98.7Very high98.6Very high114 Ų11458.9 Ų58.953%0.52826%0.26SS..Hα-helixtrans-59.2-49.2175.4174.665000111.1S237 I238 F239 C243 Y244 F245S237-H241 VanDerWaalsContact O-CB 3.26Å; S237-H241 WeakPolarHBondContact O-CB 3.46Å; S237-H241 PolarHBondContact O-N 3.04Å; I238-H241 PolarHBondContact O-N 2.9Å; F239-H241 VanDerWaalsContact C-N 3.31Å; F239-H241 PolarHBondContact O-N 3.26Å; H241-C243 PolarHBondContact O-N 3.15Å; H241-Y244 PolarHBondContact O-N 2.95Å; H241-F245 AromaticContact CE1-CD2 3.83Å; H241-F245 AromaticContact CE1-CG 3.95Å; H241-F245 WeakPolarHBondContact O-CB 3.31Å; H241-F245 PolarHBondContact O-N 3.2Å
242Y98.7Very high98.6Very high30 Ų3056.4 Ų56.412%0.11825%0.252CS..Hα-helixtrans-59.1-50179.7-166.9-74.4000111.6A217 A218 H221 I238 F239 Y244 F245 H246A217-Y242 HydrophobicContact CB-CE1 3.7Å; A217-Y242 WeakPolarHBondContact CB-OH 3.25Å; A218-Y242 HydrophobicContact CB-CD1 3.56Å; A218-Y242 HydrophobicContact CB-CE1 4.36Å; A218-Y242 HydrophobicContact CB-CG 3.86Å; H221-Y242 HydrophobicContact CB-CD2 3.78Å; H221-Y242 HydrophobicContact CB-CE2 3.83Å; H221-Y242 AromaticContact CD2-CD2 3.97Å; H221-Y242 AromaticContact CG-CD2 3.75Å; I238-Y242 PolarHBondContact O-N 2.84Å; F239-Y242 PolarHBondContact O-N 3.2Å; F239-Y242 VanDerWaalsContact O-N 3.17Å; Y242-Y244 PolarHBondContact O-N 3.18Å; Y242-F245 PolarHBondContact O-N 2.97Å; Y242-H246 HydrophobicContact CD1-CB 4.43Å; Y242-H246 AromaticContact CD2-CD2 3.79Å; Y242-H246 HydrophobicContact CE1-CB 4.19Å; Y242-H246 AromaticContact CE2-CD2 3.79Å; Y242-H246 AromaticContact CG-CD2 3.93Å; Y242-H246 AromaticContact CZ-CD2 3.92Å; Y242-H246 WeakPolarHBondContact O-CB 3.23Å; Y242-H246 PolarHBondContact O-N 3.2Å
243C98.8Very high98.6Very high0 Ų057.2 Ų57.20%026%0.258CS..Hα-helixtrans-59.7-43.7-178.6-71.10000112.2I214 F239 R240 H241 G247 G248 M249I214-C243 HydrophobicContact CG2-CB 4.42Å; F239-C243 PolarHBondContact O-N 3.29Å; F239-C243 PolarHBondContact O-SG 3.09Å; R240-C243 PolarHBondContact O-N 3.28Å; H241-C243 PolarHBondContact O-N 3.15Å; C243-G247 CarbonylContact O-C 3.58Å; C243-G247 WeakPolarHBondContact O-CA 3.3Å; C243-G247 PolarHBondContact O-N 3.27Å; C243-G248 PolarHBondContact O-N 3.3Å; C243-M249 HydrophobicContact CB-CB 4.14Å; C243-M249 HydrophobicContact CB-SD 3.93Å; C243-M249 PolarHBondContact O-N 2.82Å
244Y98.5Very high98.6Very high117 Ų11754 Ų5446%0.45925%0.246SC..Hα-helixtrans-76.3-46.2179.7-165.2-171000112R240 H241 Y242 G248 M249 R250R240-Y244 PolarHBondContact O-N 2.97Å; H241-Y244 PolarHBondContact O-N 2.95Å; Y242-Y244 PolarHBondContact O-N 3.18Å; Y244-G248 WeakPolarHBondContact O-CA 3.5Å; Y244-G248 PolarHBondContact O-N 3.45Å; Y244-M249 WeakPolarHBondContact CB-O 3.34Å; Y244-R250 HydrophobicContact CD2-CB 4.3Å; Y244-R250 HydrophobicContact CE1-CB 4.24Å; Y244-R250 HydrophobicContact CE1-CG 3.96Å; Y244-R250 HydrophobicContact CE2-CB 3.8Å; Y244-R250 HydrophobicContact CE2-CG 4.32Å
245F98.1Very high98.6Very high144 Ų14455 Ų5563%0.63226%0.256SS*.Hα-helixtrans-65-43.8-175-173-89.3000112.6H241 Y242H241-F245 AromaticContact CE1-CD2 3.83Å; H241-F245 AromaticContact CE1-CG 3.95Å; H241-F245 WeakPolarHBondContact O-CB 3.31Å; H241-F245 PolarHBondContact O-N 3.2Å; Y242-F245 PolarHBondContact O-N 2.97Å
246H97.8Very high98.6Very high83 Ų8355 Ų5538%0.38426%0.257SS..Hα-helixtrans-97.2-25-178.9-64.2-71.8000113.5Y242Y242-H246 HydrophobicContact CD1-CB 4.43Å; Y242-H246 AromaticContact CD2-CD2 3.79Å; Y242-H246 HydrophobicContact CE1-CB 4.19Å; Y242-H246 AromaticContact CE2-CD2 3.79Å; Y242-H246 AromaticContact CG-CD2 3.93Å; Y242-H246 AromaticContact CZ-CD2 3.92Å; Y242-H246 WeakPolarHBondContact O-CB 3.23Å; Y242-H246 PolarHBondContact O-N 3.2Å
247G98.4Very high98.6Very high0 Ų053.9 Ų53.90%025%0.252CS..Hα-helixtrans-109.6-7.9-172.300000115.9Y210 C243 M249 Y294Y210-G247 WeakPolarHBondContact CE1-O 3.11Å; Y210-G247 WeakPolarHBondContact OH-CA 3.41Å; Y210-G247 PolarHBondContact OH-O 3.03Å; Y210-G247 VanDerWaalsContact OH-O 3.11Å; C243-G247 CarbonylContact O-C 3.58Å; C243-G247 WeakPolarHBondContact O-CA 3.3Å; C243-G247 PolarHBondContact O-N 3.27Å; G247-M249 PolarHBondContact O-N 3.15Å; G247-Y294 VanDerWaalsContact O-CD2 3.3Å; G247-Y294 WeakPolarHBondContact O-CD2 3.19Å
248G98.4Very high98.6Very high11 Ų1150.3 Ų50.311%0.11323%0.227CC..  trans65.115.7-174.500000113.6L15 C18 C243 Y244 R250L15-G248 WeakPolarHBondContact CD1-O 3.44Å; C18-G248 PolarHBondContact SG-N 3.26Å; C243-G248 PolarHBondContact O-N 3.3Å; Y244-G248 WeakPolarHBondContact O-CA 3.5Å; Y244-G248 PolarHBondContact O-N 3.45Å; G248-R250 PolarHBondContact O-N 2.91Å; G248-R250 VanDerWaalsContact O-N 3.12Å
249M98.5Very high98.6Very high2 Ų248.6 Ų48.61%0.0122%0.218CC..  trans-8483.9-178.3-64.1171.5169.500110.7Y210 T211 I214 C243 Y244 G247 H251 E293 Y294Y210-M249 HydrophobicContact CD1-CE 4.46Å; Y210-M249 HydrophobicContact CE1-CE 4.46Å; T211-M249 VanDerWaalsContact CA-CE 3.41Å; T211-M249 HydrophobicContact CG2-CE 3.97Å; I214-M249 HydrophobicContact CB-CE 3.68Å; I214-M249 HydrophobicContact CB-SD 4.13Å; I214-M249 HydrophobicContact CG1-CE 4.12Å; I214-M249 HydrophobicContact CG2-CE 4.01Å; I214-M249 HydrophobicContact CG2-SD 3.77Å; C243-M249 HydrophobicContact CB-CB 4.14Å; C243-M249 HydrophobicContact CB-SD 3.93Å; C243-M249 PolarHBondContact O-N 2.82Å; Y244-M249 WeakPolarHBondContact CB-O 3.34Å; G247-M249 PolarHBondContact O-N 3.15Å; M249-H251 PolarHBondContact O-N 3.37Å; M249-E293 WeakPolarHBondContact CA-O 3.21Å; M249-E293 VanDerWaalsContact CB-O 3.31Å; M249-E293 WeakPolarHBondContact CB-O 3.29Å; M249-E293 WeakPolarHBondContact CG-O 3.46Å; M249-Y294 HydrophobicContact CG-CD2 4.38Å
250R98.3Very high98.6Very high154 Ų15449 Ų4958%0.58122%0.22SC*.  trans-62.2-33.1177.8-172.5175.1-173.5179.60.8112.2Y244 G248Y244-R250 HydrophobicContact CD2-CB 4.3Å; Y244-R250 HydrophobicContact CE1-CB 4.24Å; Y244-R250 HydrophobicContact CE1-CG 3.96Å; Y244-R250 HydrophobicContact CE2-CB 3.8Å; Y244-R250 HydrophobicContact CE2-CG 4.32Å; G248-R250 PolarHBondContact O-N 2.91Å; G248-R250 VanDerWaalsContact O-N 3.12Å
251H98.6Very high98.5Very high50 Ų5043.4 Ų43.423%0.23120%0.201CC..EExtended strand (participates in β ladder)trans-103.4149.9178.4-63.6-88.1000111V77 F78 M249 E293V77-H251 VanDerWaalsContact CG1-CE1 3.46Å; V77-H251 WeakPolarHBondContact CG1-CE1 2.97Å; F78-H251 PolarHBondContact O-NE2 2.97Å; M249-H251 PolarHBondContact O-N 3.37Å; H251-E293 HydrophobicContact CB-CB 4.2Å; H251-E293 PolarHBondContact O-N 3.3Å
252M98.7Very high98.4Very high36 Ų3641.2 Ų41.218%0.17720%0.198CC..EExtended strand (participates in β ladder)trans-95.1149.1163.3-54.2-48.2-62.700108.1F239 R240 Y254 G291F239-M252 HydrophobicContact CD1-CE 3.54Å; F239-M252 HydrophobicContact CE1-CE 3.3Å; R240-M252 HydrophobicContact CB-SD 4.38Å; R240-M252 HydrophobicContact CG-CE 4.36Å; R240-M252 HydrophobicContact CG-CG 3.96Å; R240-M252 HydrophobicContact CG-SD 3.86Å; M252-Y254 WeakPolarHBondContact CB-O 3.27Å; M252-Y254 PolarHBondContact O-N 2.97Å; M252-G291 WeakPolarHBondContact CE-O 3.41Å
253S98.7Very high98.4Very high18 Ų1840.6 Ų40.613%0.12620%0.197CC..SBendtrans-64.3-25.9178.8-69.40000112.7G291 G292 S298 S299S253-G291 WeakPolarHBondContact CB-O 3.09Å; S253-G291 PolarHBondContact N-O 3.12Å; S253-G292 PolarHBondContact OG-O 3.27Å; S253-S298 WeakPolarHBondContact OG-CA 3.49Å; S253-S298 WeakPolarHBondContact OG-CB 3.38Å; S253-S298 PolarHBondContact OG-OG 2.8Å; S253-S299 PolarHBondContact OG-N 3.5Å; S253-S299 PolarHBondContact OG-O 2.94Å
254Y98.8Very high98.4Very high43 Ų4340.6 Ų40.617%0.16920%0.197CC..SBendtrans-161.5171.3177.752.3-78000109.4M252 C256 I257 D289 M290 G291 D300 V389M252-Y254 WeakPolarHBondContact CB-O 3.27Å; M252-Y254 PolarHBondContact O-N 2.97Å; Y254-C256 PolarHBondContact O-N 2.89Å; Y254-I257 HydrophobicContact CE2-CD1 4.41Å; Y254-D289 WeakPolarHBondContact CE2-OD1 3.49Å; Y254-D289 PolarHBondContact OH-OD1 3.24Å; Y254-M290 WeakPolarHBondContact OH-CA 3.03Å; Y254-M290 PolarHBondContact OH-N 3.14Å; Y254-G291 PolarHBondContact OH-N 2.75Å; Y254-G291 VanDerWaalsContact OH-N 3.11Å; Y254-D300 HydrophobicContact CE1-CB 4.35Å; Y254-D300 WeakPolarHBondContact CE1-OD1 3.44Å; Y254-D300 PolarHBondContact OH-OD1 3.14Å; Y254-V389 HydrophobicContact CD1-CB 4.12Å; Y254-V389 HydrophobicContact CD1-CG1 4.31Å; Y254-V389 HydrophobicContact CD1-CG2 3.62Å; Y254-V389 HydrophobicContact CE1-CG2 3.89Å
255T98.7Very high98.4Very high87 Ų8735.8 Ų35.853%0.53418%0.181SC..  trans-63.2122.6173.5-570000109.9I257 G270T255-I257 PolarHBondContact O-N 2.88Å; T255-G270 WeakPolarHBondContact CG2-O 3.27Å
256C98.8Very high98.4Very high1 Ų132.2 Ų32.21%0.00717%0.171CC..  trans-59.2135.9-179-62.80000112.1E236 Y254 N276 M290E236-C256 HydrophobicContact CB-CB 4.29Å; E236-C256 HydrophobicContact CG-CB 3.71Å; Y254-C256 PolarHBondContact O-N 2.89Å; C256-N276 PolarHBondContact O-ND2 3.46Å; C256-M290 HydrophobicContact CB-CB 4.41Å; C256-M290 HydrophobicContact CB-CE 4.26Å; C256-M290 HydrophobicContact CB-CG 3.78Å; C256-M290 HydrophobicContact CB-SD 3.99Å
257I98.9Very high98.5Very high7 Ų730.5 Ų30.54%0.03616%0.164CC..EExtended strand (participates in β ladder)trans-105.299.1179.8-55.3168.7000106.8Y254 T255 A259 Y269 F288 D289Y254-I257 HydrophobicContact CE2-CD1 4.41Å; T255-I257 PolarHBondContact O-N 2.88Å; I257-A259 HydrophobicContact CG2-CB 4.37Å; I257-A259 PolarHBondContact O-N 3.41Å; I257-Y269 WeakPolarHBondContact CG1-O 3.07Å; I257-F288 WeakPolarHBondContact O-CA 3.16Å; I257-D289 HydrophobicContact CB-CB 3.93Å; I257-D289 WeakPolarHBondContact CB-O 3.39Å; I257-D289 HydrophobicContact CD1-CB 4.03Å; I257-D289 WeakPolarHBondContact CD1-OD2 3.49Å; I257-D289 HydrophobicContact CG1-CB 4.44Å; I257-D289 HydrophobicContact CG2-CB 4.43Å; I257-D289 PolarHBondContact N-O 2.85Å; I257-D289 PolarHBondContact O-N 3.13Å
258A98.6Very high98.5Very high0 Ų036.1 Ų36.10%019%0.19CC..EExtended strand (participates in β ladder)trans-101.850.2-176.600000111.6Q232 N276 F288 M290Q232-A258 HydrophobicContact CB-CB 4Å; Q232-A258 VanDerWaalsContact CB-O 3.23Å; Q232-A258 WeakPolarHBondContact CB-O 3.3Å; Q232-A258 VanDerWaalsContact CD-O 3.25Å; Q232-A258 WeakPolarHBondContact CG-O 3.33Å; Q232-A258 WeakPolarHBondContact O-CB 3.34Å; A258-N276 HydrophobicContact CB-CB 4.16Å; A258-N276 PolarHBondContact N-OD1 2.68Å; A258-F288 HydrophobicContact CB-CD1 4.29Å; A258-F288 HydrophobicContact CB-CE1 4.22Å; A258-M290 HydrophobicContact CB-CE 3.47Å; A258-M290 VanDerWaalsContact CB-CE 3.47Å
259A98.7Very high98.5Very high1 Ų136 Ų361%0.00819%0.186CC..EExtended strand (participates in β ladder)trans-74.5143-169.700000113I257 D263 C264 Y269 L287I257-A259 HydrophobicContact CG2-CB 4.37Å; I257-A259 PolarHBondContact O-N 3.41Å; A259-D263 HydrophobicContact CB-CB 4.02Å; A259-C264 PolarHBondContact O-SG 3.45Å; A259-Y269 HydrophobicContact CB-CD1 3.96Å; A259-Y269 HydrophobicContact CB-CG 4.31Å; A259-L287 PolarHBondContact N-O 2.73Å; A259-L287 VanDerWaalsContact N-O 3.13Å; A259-L287 PolarHBondContact O-N 3.28Å
260T98.6Very high98.5Very high7 Ų736.1 Ų36.14%0.04319%0.189CC..EExtended strand (participates in β ladder)trans-136.6151.4171.264.80000112.6Q232 C262 D263 C264 I280 M285 F288Q232-T260 HydrophobicContact CG-CG2 4.1Å; Q232-T260 VanDerWaalsContact NE2-N 3.14Å; Q232-T260 PolarHBondContact NE2-OG1 3.02Å; T260-C262 PolarHBondContact O-N 3Å; T260-D263 WeakPolarHBondContact O-CB 3.4Å; T260-D263 PolarHBondContact O-N 3.38Å; T260-C264 VanDerWaalsContact CA-SG 3.59Å; T260-I280 HydrophobicContact CG2-CG1 4.04Å; T260-I280 HydrophobicContact CG2-CG2 4.24Å; T260-M285 CarbonylContact C-O 3.59Å; T260-M285 WeakPolarHBondContact CA-O 3.22Å; T260-F288 HydrophobicContact CG2-CE1 3.93Å; T260-F288 HydrophobicContact CG2-CZ 4.3Å
261G97.9Very high98.5Very high7 Ų733.6 Ų33.67%0.07218%0.183CC..G310 helixtrans59.2-129.6178.500000111.6D263 C264 M285 G461G261-D263 PolarHBondContact O-N 3.42Å; G261-C264 WeakPolarHBondContact O-CB 3.12Å; G261-C264 PolarHBondContact O-N 3.35Å; G261-C264 PolarHBondContact O-SG 3.06Å; G261-M285 PolarHBondContact N-O 3.33Å; G261-G461 VanDerWaalsContact O-CA 3.3Å; G261-G461 WeakPolarHBondContact O-CA 3.49Å
262C96.9Very high98.5Very high68 Ų6836 Ų3646%0.45921%0.212SC..G310 helixtrans-65.4-22.7-17956.70000113.7T260 C264 A265 K459T260-C262 PolarHBondContact O-N 3Å; C262-C264 PolarHBondContact O-N 3.42Å; C262-A265 WeakPolarHBondContact O-CB 3.37Å; C262-A265 PolarHBondContact O-N 3.12Å; C262-A265 VanDerWaalsContact O-N 3.13Å; C262-K459 HydrophobicContact CB-CB 4.29Å
263D98.4Very high98.4Very high16 Ų1637.3 Ų37.39%0.08624%0.235CC..G310 helixtrans-65.6-22.8178.9-55.7-34.8000111.7Q232 A259 T260 G261 A265 V266 Y269 H278Q232-D263 PolarHBondContact NE2-OD2 3.38Å; A259-D263 HydrophobicContact CB-CB 4.02Å; T260-D263 WeakPolarHBondContact O-CB 3.4Å; T260-D263 PolarHBondContact O-N 3.38Å; G261-D263 PolarHBondContact O-N 3.42Å; D263-A265 PolarHBondContact O-N 3.32Å; D263-V266 WeakPolarHBondContact O-CB 3.25Å; D263-V266 PolarHBondContact O-N 2.93Å; D263-Y269 HydrophobicContact CB-CD1 4.45Å; D263-Y269 HydrophobicContact CB-CD2 4.05Å; D263-Y269 HydrophobicContact CB-CE1 4.37Å; D263-Y269 HydrophobicContact CB-CE2 3.95Å; D263-Y269 HydrophobicContact CB-CG 4.31Å; D263-H278 IonicContact OD1-CE1 3.63Å; D263-H278 PolarHBondContact OD1-CE1 2.97Å; D263-H278 IonicContact OD1-ND1 3.18Å; D263-H278 PolarHBondContact OD1-ND1 3.21Å; D263-H278 IonicContact OD2-CE1 3.81Å; D263-H278 IonicContact OD2-CG 3.63Å; D263-H278 IonicContact OD2-ND1 3.11Å; D263-H278 PolarHBondContact OD2-ND1 3.45Å
264C98.6Very high98.4Very high1 Ų137.4 Ų37.41%0.00724%0.236CC..G310 helixtrans-61.2-15.1175.5-58.20000112.7A259 T260 G261 C262 V266 L287 Y430 G462A259-C264 PolarHBondContact O-SG 3.45Å; T260-C264 VanDerWaalsContact CA-SG 3.59Å; G261-C264 WeakPolarHBondContact O-CB 3.12Å; G261-C264 PolarHBondContact O-N 3.35Å; G261-C264 PolarHBondContact O-SG 3.06Å; C262-C264 PolarHBondContact O-N 3.42Å; C264-V266 VanDerWaalsContact C-N 3.35Å; C264-L287 HydrophobicContact CB-CB 3.8Å; C264-L287 HydrophobicContact CB-CD1 4.17Å; C264-L287 VanDerWaalsContact SG-CB 3.55Å; C264-Y430 VanDerWaalsContact O-CD1 3.3Å; C264-Y430 WeakPolarHBondContact O-CD1 3.27Å; C264-G462 WeakPolarHBondContact CB-O 3.34Å
265A98.4Very high98.4Very high16 Ų1637.9 Ų37.913%0.13225%0.245CC..G310 helixtrans-83.2-6.3171.800000113.8C262 D263 I432C262-A265 WeakPolarHBondContact O-CB 3.37Å; C262-A265 PolarHBondContact O-N 3.12Å; C262-A265 VanDerWaalsContact O-N 3.13Å; D263-A265 PolarHBondContact O-N 3.32Å; A265-I432 HydrophobicContact CB-CG1 3.97Å; A265-I432 WeakPolarHBondContact O-CG1 3.41Å
266V98.5Very high98.4Very high69 Ų6933.7 Ų33.742%0.41822%0.219SC..SBendtrans-98.4102.5178.3-177.30000108.7D263 C264 H268 Y269D263-V266 WeakPolarHBondContact O-CB 3.25Å; D263-V266 PolarHBondContact O-N 2.93Å; C264-V266 VanDerWaalsContact C-N 3.35Å; V266-H268 PolarHBondContact O-N 3.48Å; V266-Y269 HydrophobicContact CB-CD2 4.29Å; V266-Y269 HydrophobicContact CG1-CD2 4.31Å; V266-Y269 WeakPolarHBondContact O-CB 3.41Å; V266-Y269 PolarHBondContact O-N 3.28Å
267L98.3Very high98.3Very high46 Ų4638.9 Ų38.924%0.24124%0.243CC..THydrogen-bonded Turntrans-57.7-43.1-164.5-56.3-178.2000114.9P378 H379 Y430 R464L267-P378 HydrophobicContact CD1-CG 4.24Å; L267-H379 HydrophobicContact CD1-CB 3.98Å; L267-Y430 HydrophobicContact CD2-CD1 4.01Å; L267-Y430 HydrophobicContact CD2-CD2 4.06Å; L267-Y430 HydrophobicContact CD2-CE1 3.69Å; L267-Y430 HydrophobicContact CD2-CE2 3.8Å; L267-Y430 HydrophobicContact CD2-CG 4.18Å; L267-R464 PolarHBondContact O-NH2 2.99Å
268H98.4Very high98.3Very high118 Ų11842.5 Ų42.555%0.54626%0.26SS..THydrogen-bonded Turntrans-113.349.4176.1-60.8160.2000111V266 H271V266-H268 PolarHBondContact O-N 3.48Å; H268-H271 PolarHBondContact O-CD2 2.91Å
269Y98.6Very high98.3Very high8 Ų846.7 Ų46.73%0.03128%0.279CS..THydrogen-bonded Turntrans-58.7165.9171.6-174.9-99.7000111.7Q232 I257 A259 D263 V266 A274 N276Q232-Y269 PolarHBondContact OE1-OH 3.28Å; I257-Y269 WeakPolarHBondContact CG1-O 3.07Å; A259-Y269 HydrophobicContact CB-CD1 3.96Å; A259-Y269 HydrophobicContact CB-CG 4.31Å; D263-Y269 HydrophobicContact CB-CD1 4.45Å; D263-Y269 HydrophobicContact CB-CD2 4.05Å; D263-Y269 HydrophobicContact CB-CE1 4.37Å; D263-Y269 HydrophobicContact CB-CE2 3.95Å; D263-Y269 HydrophobicContact CB-CG 4.31Å; V266-Y269 HydrophobicContact CB-CD2 4.29Å; V266-Y269 HydrophobicContact CG1-CD2 4.31Å; V266-Y269 WeakPolarHBondContact O-CB 3.41Å; V266-Y269 PolarHBondContact O-N 3.28Å; Y269-A274 HydrophobicContact CD2-CB 3.79Å; Y269-A274 HydrophobicContact CE2-CB 3.6Å; Y269-N276 WeakPolarHBondContact CD1-OD1 3.36Å; Y269-N276 WeakPolarHBondContact CE1-OD1 3.48Å
270G98.5Very high98.3Very high6 Ų646.6 Ų46.66%0.06228%0.279CS..THydrogen-bonded Turntrans90.5-7.4177.800000115.6T255 A274 N276T255-G270 WeakPolarHBondContact CG2-O 3.27Å; G270-A274 CarbonylContact C-O 3.45Å; G270-A274 WeakPolarHBondContact CA-O 3.43Å; G270-A274 PolarHBondContact N-O 3.35Å; G270-N276 WeakPolarHBondContact CA-OD1 3.25Å
271H98.4Very high98.3Very high100 Ų10050.3 Ų50.346%0.46330%0.298SS..SBendtrans-6716917072.492.3000111.8H268 G273 A274 P275H268-H271 PolarHBondContact O-CD2 2.91Å; H271-G273 PolarHBondContact ND1-N 2.86Å; H271-G273 VanDerWaalsContact ND1-N 3.14Å; H271-G273 PolarHBondContact O-N 3.41Å; H271-A274 CarbonylContact O-C 3.53Å; H271-A274 PolarHBondContact O-N 2.87Å; H271-P275 WeakPolarHBondContact O-CA 3.49Å
272A98.2Very high98.2Very high101 Ų10155 Ų5584%0.83532%0.322SS*.THydrogen-bonded Turntrans-55.8-21.3-173.500000116.4
273G98.2Very high98.2Very high64 Ų6453.3 Ų53.366%0.6632%0.315SS*.THydrogen-bonded Turntrans-90-7.7177.100000114.3H271H271-G273 PolarHBondContact ND1-N 2.86Å; H271-G273 VanDerWaalsContact ND1-N 3.14Å; H271-G273 PolarHBondContact O-N 3.41Å
274A98.1Very high98.1Very high19 Ų1957.1 Ų57.116%0.15733%0.331CS..SBendtrans-150.165.9175.800000108.9Y269 G270 H271 N276Y269-A274 HydrophobicContact CD2-CB 3.79Å; Y269-A274 HydrophobicContact CE2-CB 3.6Å; G270-A274 CarbonylContact C-O 3.45Å; G270-A274 WeakPolarHBondContact CA-O 3.43Å; G270-A274 PolarHBondContact N-O 3.35Å; H271-A274 CarbonylContact O-C 3.53Å; H271-A274 PolarHBondContact O-N 2.87Å; A274-N276 VanDerWaalsContact C-N 3.29Å; A274-N276 PolarHBondContact O-N 3.4Å
275P98.3Very high98.1Very high53 Ų5357.2 Ų57.234%0.34433%0.332SS..  trans-86.950.8-153.836.6-38.6000113.7H271 E277H271-P275 WeakPolarHBondContact O-CA 3.49Å; P275-E277 VanDerWaalsContact C-N 3.27Å; P275-E277 HydrophobicContact CG-CB 4.29Å; P275-E277 HydrophobicContact CG-CG 4.42Å; P275-E277 PolarHBondContact O-N 3.07Å
276N98.6Very high98.1Very high0 Ų056.5 Ų56.50%033%0.325CS..SBendtrans54.542.1-179-61.7-38.8000112.5Q232 Y233 E236 C256 A258 Y269 G270 A274Q232-N276 CarbonylContact C-O 3.52Å; Q232-N276 HydrophobicContact CB-CB 3.9Å; Q232-N276 VanDerWaalsContact CB-O 3.29Å; Q232-N276 WeakPolarHBondContact CB-O 3.29Å; Y233-N276 WeakPolarHBondContact CB-O 3.41Å; Y233-N276 WeakPolarHBondContact CD1-O 3.11Å; Y233-N276 PolarHBondContact N-O 2.53Å; E236-N276 PolarHBondContact OE2-ND2 3.27Å; C256-N276 PolarHBondContact O-ND2 3.46Å; A258-N276 HydrophobicContact CB-CB 4.16Å; A258-N276 PolarHBondContact N-OD1 2.68Å; Y269-N276 WeakPolarHBondContact CD1-OD1 3.36Å; Y269-N276 WeakPolarHBondContact CE1-OD1 3.48Å; G270-N276 WeakPolarHBondContact CA-OD1 3.25Å; A274-N276 VanDerWaalsContact C-N 3.29Å; A274-N276 PolarHBondContact O-N 3.4Å
277E98.1Very high98.1Very high109 Ų10953.3 Ų53.351%0.50931%0.306SS..  trans-98.7-10.9-168.867.3-176.7173.100114.7Y231 P275Y231-E277 WeakPolarHBondContact CD1-O 3.22Å; P275-E277 VanDerWaalsContact C-N 3.27Å; P275-E277 HydrophobicContact CG-CB 4.29Å; P275-E277 HydrophobicContact CG-CG 4.42Å; P275-E277 PolarHBondContact O-N 3.07Å
278H98.3Very high98.1Very high84 Ų8451.1 Ų51.139%0.38929%0.294SS..SBendtrans-74.6150.6-176.7-66.8161.2000111.9Q232 D263Q232-H278 WeakPolarHBondContact CG-O 3.26Å; Q232-H278 PolarHBondContact N-O 3.44Å; Q232-H278 VanDerWaalsContact N-O 3.08Å; D263-H278 IonicContact OD1-CE1 3.63Å; D263-H278 PolarHBondContact OD1-CE1 2.97Å; D263-H278 IonicContact OD1-ND1 3.18Å; D263-H278 PolarHBondContact OD1-ND1 3.21Å; D263-H278 IonicContact OD2-CE1 3.81Å; D263-H278 IonicContact OD2-CG 3.63Å; D263-H278 IonicContact OD2-ND1 3.11Å; D263-H278 PolarHBondContact OD2-ND1 3.45Å
279Q98.4Very high98.2Very high87 Ų8746 Ų4641%0.40727%0.271SS..BIsolated β-bridgetrans-72.7135.4172.2-165.2174.931.300109.8G229 M230 Y231 L281G229-Q279 PolarHBondContact O-NE2 3.19Å; M230-Q279 CarbonylContact O-C 3.42Å; M230-Q279 WeakPolarHBondContact O-CG 3.41Å; Y231-Q279 HydrophobicContact CD1-CB 4.28Å; Y231-Q279 HydrophobicContact CE1-CB 4.08Å; Y231-Q279 HydrophobicContact CE1-CG 4.49Å; Q279-L281 HydrophobicContact CB-CD2 4.2Å; Q279-L281 HydrophobicContact CG-CD2 4.18Å; Q279-L281 PolarHBondContact O-N 3.18Å
280I98.3Very high98.2Very high0 Ų045.6 Ų45.60%027%0.269CS..  trans-75.3111.3175.6-58.3-177.9000108V226 P228 G229 M230 Q232 A235 T260 F288 V307V226-I280 HydrophobicContact CG1-CD1 3.62Å; V226-I280 HydrophobicContact CG1-CG2 4.12Å; P228-I280 CarbonylContact C-O 3.24Å; P228-I280 WeakPolarHBondContact CA-O 3.35Å; G229-I280 PolarHBondContact N-O 3.21Å; M230-I280 HydrophobicContact CB-CD1 4.17Å; M230-I280 WeakPolarHBondContact O-CB 3.27Å; M230-I280 PolarHBondContact O-N 2.85Å; Q232-I280 HydrophobicContact CG-CG1 4.05Å; A235-I280 HydrophobicContact CB-CD1 4.29Å; T260-I280 HydrophobicContact CG2-CG1 4.04Å; T260-I280 HydrophobicContact CG2-CG2 4.24Å; I280-F288 HydrophobicContact CD1-CZ 4.39Å; I280-V307 HydrophobicContact CG2-CB 4.17Å; I280-V307 HydrophobicContact CG2-CG1 3.43Å; I280-V307 VanDerWaalsContact CG2-CG1 3.43Å; I280-V307 HydrophobicContact CG2-CG2 3.56Å
281L97.9Very high98.2Very high85 Ų8545.3 Ų45.345%0.44527%0.266SS..  trans-101.3145.7-173.7-57.2-178.8000112.4Q279 K284Q279-L281 HydrophobicContact CB-CD2 4.2Å; Q279-L281 HydrophobicContact CG-CD2 4.18Å; Q279-L281 PolarHBondContact O-N 3.18Å; L281-K284 HydrophobicContact CB-CG 3.91Å; L281-K284 WeakPolarHBondContact O-CB 3.44Å; L281-K284 PolarHBondContact O-N 2.97Å
282D97.6Very high98.2Very high106 Ų10640.5 Ų40.557%0.56724%0.244SC*.THydrogen-bonded Turntrans-56.4145.1175-174.632.9000112.1P228 K284 N308P228-D282 HydrophobicContact CB-CB 4.04Å; P228-D282 HydrophobicContact CG-CB 4.09Å; D282-K284 PolarHBondContact O-N 3.08Å; D282-N308 WeakPolarHBondContact OD1-CB 3.39Å; D282-N308 PolarHBondContact OD1-ND2 3.24Å
283G95.3Very high98.2Very high31 Ų3136.4 Ų36.432%0.3221%0.208SC..THydrogen-bonded Turntrans69.62.2-17900000116N308 Q315G283-N308 PolarHBondContact N-ND2 2.91Å; G283-Q315 PolarHBondContact O-NE2 3.15Å
284K97.2Very high98.3Very high97 Ų9733.4 Ų33.442%0.42218%0.177SC..PPolyproline II helixtrans-87.4159.7174.7-58.7-55-178.7-175.30112L281 D282 V307L281-K284 HydrophobicContact CB-CG 3.91Å; L281-K284 WeakPolarHBondContact O-CB 3.44Å; L281-K284 PolarHBondContact O-N 2.97Å; D282-K284 PolarHBondContact O-N 3.08Å; K284-V307 HydrophobicContact CB-CG2 4.21Å; K284-V307 WeakPolarHBondContact O-CB 3.39Å; K284-V307 VanDerWaalsContact O-CG2 3.28Å; K284-V307 WeakPolarHBondContact O-CG2 3.49Å; K284-V307 PolarHBondContact O-N 3.23Å
285M98.4Very high98.3Very high3 Ų333.3 Ų33.32%0.01517%0.172CC..EExtended strand (participates in β ladder)trans-79.9144.5166.3-71.4-58.9-67.200110.3T260 G261 P306 F311 Q315 F460 V463T260-M285 CarbonylContact C-O 3.59Å; T260-M285 WeakPolarHBondContact CA-O 3.22Å; G261-M285 PolarHBondContact N-O 3.33Å; M285-P306 HydrophobicContact SD-CB 4.31Å; M285-F311 HydrophobicContact CE-CE1 4.01Å; M285-F311 HydrophobicContact SD-CE1 4.47Å; M285-Q315 HydrophobicContact CG-CG 3.9Å; M285-Q315 HydrophobicContact SD-CB 3.87Å; M285-Q315 VanDerWaalsContact SD-CD 3.59Å; M285-Q315 HydrophobicContact SD-CG 3.59Å; M285-Q315 VanDerWaalsContact SD-CG 3.59Å; M285-F460 HydrophobicContact CG-CE1 4.48Å; M285-F460 HydrophobicContact CG-CE2 4.49Å; M285-F460 HydrophobicContact CG-CZ 4.03Å; M285-V463 HydrophobicContact CE-CG2 3.99Å
286C98.3Very high98.3Very high0 Ų031.1 Ų31.10%016%0.158CC..EExtended strand (participates in β ladder)trans-94.9144.4157.4-63.10000108.9F288 S304 F305 V307C286-F288 HydrophobicContact CB-CD1 4.15Å; C286-F288 HydrophobicContact CB-CD2 4.44Å; C286-F288 HydrophobicContact CB-CE1 3.9Å; C286-F288 HydrophobicContact CB-CE2 4.21Å; C286-F288 HydrophobicContact CB-CG 4.42Å; C286-F288 HydrophobicContact CB-CZ 3.94Å; C286-S304 WeakPolarHBondContact O-CA 3.47Å; C286-F305 HydrophobicContact CB-CD1 4.34Å; C286-F305 HydrophobicContact CB-CD2 4.06Å; C286-F305 HydrophobicContact CB-CE1 4.1Å; C286-F305 HydrophobicContact CB-CE2 3.83Å; C286-F305 HydrophobicContact CB-CG 4.32Å; C286-F305 HydrophobicContact CB-CZ 3.86Å; C286-F305 WeakPolarHBondContact CB-O 3.42Å; C286-F305 PolarHBondContact N-O 3.27Å; C286-F305 PolarHBondContact O-N 3.23Å; C286-F305 VanDerWaalsContact O-N 3.12Å; C286-V307 WeakPolarHBondContact SG-CG2 3.02Å
287L98.8Very high98.3Very high2 Ų231.2 Ų31.21%0.0116%0.159CC..EExtended strand (participates in β ladder)trans-132.399.3162.2-175.2164.9000105.8A259 C264 D289 T302 Y430 R464A259-L287 PolarHBondContact N-O 2.73Å; A259-L287 VanDerWaalsContact N-O 3.13Å; A259-L287 PolarHBondContact O-N 3.28Å; C264-L287 HydrophobicContact CB-CB 3.8Å; C264-L287 HydrophobicContact CB-CD1 4.17Å; C264-L287 VanDerWaalsContact SG-CB 3.55Å; L287-D289 HydrophobicContact CD2-CB 4.19Å; L287-T302 HydrophobicContact CD2-CG2 3.64Å; L287-T302 HydrophobicContact CG-CG2 3.95Å; L287-Y430 HydrophobicContact CD1-CE1 3.96Å; L287-R464 HydrophobicContact CD1-CB 3.8Å; L287-R464 HydrophobicContact CG-CB 4.25Å
288F98.8Very high98.4Very high0 Ų026 Ų260%014%0.135CC..EExtended strand (participates in β ladder)trans-106.5107.9-177.4-68.4-11000109.4H219 L222 V226 A235 I257 A258 T260 I280 C286 M290 T302 C303 F305H219-F288 PolarHBondContact CE1-O 2.77Å; L222-F288 HydrophobicContact CD2-CB 4.34Å; L222-F288 HydrophobicContact CD2-CD2 3.38Å; L222-F288 HydrophobicContact CD2-CE2 3.97Å; L222-F288 HydrophobicContact CD2-CG 4.18Å; L222-F288 HydrophobicContact CG-CD2 3.95Å; L222-F288 HydrophobicContact CG-CE2 4.13Å; V226-F288 HydrophobicContact CG1-CE2 4.42Å; V226-F288 HydrophobicContact CG1-CZ 4.43Å; V226-F288 HydrophobicContact CG2-CE2 3.98Å; V226-F288 HydrophobicContact CG2-CZ 4.49Å; A235-F288 HydrophobicContact CB-CE2 3.94Å; A235-F288 HydrophobicContact CB-CZ 3.83Å; I257-F288 WeakPolarHBondContact O-CA 3.16Å; A258-F288 HydrophobicContact CB-CD1 4.29Å; A258-F288 HydrophobicContact CB-CE1 4.22Å; T260-F288 HydrophobicContact CG2-CE1 3.93Å; T260-F288 HydrophobicContact CG2-CZ 4.3Å; I280-F288 HydrophobicContact CD1-CZ 4.39Å; C286-F288 HydrophobicContact CB-CD1 4.15Å; C286-F288 HydrophobicContact CB-CD2 4.44Å; C286-F288 HydrophobicContact CB-CE1 3.9Å; C286-F288 HydrophobicContact CB-CE2 4.21Å; C286-F288 HydrophobicContact CB-CG 4.42Å; C286-F288 HydrophobicContact CB-CZ 3.94Å; F288-M290 HydrophobicContact CB-CE 4.05Å; F288-M290 HydrophobicContact CD1-CE 4.33Å; F288-M290 HydrophobicContact CG-CE 4.09Å; F288-T302 CarbonylContact O-C 3.59Å; F288-T302 WeakPolarHBondContact O-CA 3.5Å; F288-C303 PolarHBondContact N-O 2.9Å; F288-C303 PolarHBondContact O-N 3.39Å; F288-F305 AromaticContact CD2-CE1 3.83Å; F288-F305 HydrophobicContact CD2-CE1 3.83Å; F288-F305 AromaticContact CD2-CZ 3.53Å; F288-F305 HydrophobicContact CD2-CZ 3.53Å; F288-F305 HydrophobicContact CE2-CE1 4.34Å; F288-F305 HydrophobicContact CE2-CE2 4.4Å; F288-F305 AromaticContact CE2-CZ 3.59Å; F288-F305 HydrophobicContact CE2-CZ 3.59Å; F288-F305 HydrophobicContact CG-CE1 4.44Å; F288-F305 HydrophobicContact CG-CZ 4.46Å
289D98.9Very high98.4Very high10 Ų1022 Ų225%0.05312%0.116CC..EExtended strand (participates in β ladder)trans-111.1105.3179.2174.2-6.3000107.9Y254 I257 L287 T302 R464Y254-D289 WeakPolarHBondContact CE2-OD1 3.49Å; Y254-D289 PolarHBondContact OH-OD1 3.24Å; I257-D289 HydrophobicContact CB-CB 3.93Å; I257-D289 WeakPolarHBondContact CB-O 3.39Å; I257-D289 HydrophobicContact CD1-CB 4.03Å; I257-D289 WeakPolarHBondContact CD1-OD2 3.49Å; I257-D289 HydrophobicContact CG1-CB 4.44Å; I257-D289 HydrophobicContact CG2-CB 4.43Å; I257-D289 PolarHBondContact N-O 2.85Å; I257-D289 PolarHBondContact O-N 3.13Å; L287-D289 HydrophobicContact CD2-CB 4.19Å; D289-T302 HydrophobicContact CB-CG2 3.85Å; D289-T302 WeakPolarHBondContact CB-OG1 3.14Å; D289-T302 PolarHBondContact OD2-OG1 2.84Å; D289-R464 IonicContact OD2-CZ 3.26Å; D289-R464 IonicContact OD2-NE 2.66Å; D289-R464 PolarHBondContact OD2-NE 2.95Å; D289-R464 IonicContact OD2-NH2 2.8Å; D289-R464 PolarHBondContact OD2-NH2 3.41Å
290M98.9Very high98.4Very high0 Ų018.2 Ų18.20%010%0.098CC..  trans-151.5135.6-171.4-48.3-176.1-175.300111.5H219 L222 F239 Y254 C256 A258 F288 I301H219-M290 PolarHBondContact NE2-O 3.13Å; L222-M290 HydrophobicContact CD2-CE 4.27Å; L222-M290 HydrophobicContact CD2-SD 4.03Å; F239-M290 HydrophobicContact CB-SD 3.57Å; F239-M290 VanDerWaalsContact CB-SD 3.57Å; F239-M290 HydrophobicContact CD1-CB 3.56Å; F239-M290 HydrophobicContact CD1-CG 4.32Å; F239-M290 HydrophobicContact CD1-SD 3.93Å; F239-M290 HydrophobicContact CD2-CB 4.13Å; F239-M290 HydrophobicContact CD2-SD 4.08Å; F239-M290 HydrophobicContact CE1-CB 3.34Å; F239-M290 HydrophobicContact CE2-CB 3.95Å; F239-M290 HydrophobicContact CG-CB 3.95Å; F239-M290 HydrophobicContact CG-CG 4.41Å; F239-M290 HydrophobicContact CG-SD 3.6Å; F239-M290 VanDerWaalsContact CG-SD 3.6Å; F239-M290 HydrophobicContact CZ-CB 3.57Å; F239-M290 VanDerWaalsContact CZ-O 3.29Å; F239-M290 WeakPolarHBondContact CZ-O 3.42Å; Y254-M290 WeakPolarHBondContact OH-CA 3.03Å; Y254-M290 PolarHBondContact OH-N 3.14Å; C256-M290 HydrophobicContact CB-CB 4.41Å; C256-M290 HydrophobicContact CB-CE 4.26Å; C256-M290 HydrophobicContact CB-CG 3.78Å; C256-M290 HydrophobicContact CB-SD 3.99Å; A258-M290 HydrophobicContact CB-CE 3.47Å; A258-M290 VanDerWaalsContact CB-CE 3.47Å; F288-M290 HydrophobicContact CB-CE 4.05Å; F288-M290 HydrophobicContact CD1-CE 4.33Å; F288-M290 HydrophobicContact CG-CE 4.09Å; M290-I301 PolarHBondContact N-O 3.45Å
291G98.8Very high98.4Very high0 Ų018.2 Ų18.20%010%0.098CC..  trans-148.3132.1179.100000112.5M252 S253 Y254 S299M252-G291 WeakPolarHBondContact CE-O 3.41Å; S253-G291 WeakPolarHBondContact CB-O 3.09Å; S253-G291 PolarHBondContact N-O 3.12Å; Y254-G291 PolarHBondContact OH-N 2.75Å; Y254-G291 VanDerWaalsContact OH-N 3.11Å; G291-S299 VanDerWaalsContact CA-O 3.3Å; G291-S299 WeakPolarHBondContact CA-O 3.4Å
292G98.7Very high98.5Very high0 Ų014.1 Ų14.10%08%0.077CC..EExtended strand (participates in β ladder)trans-84.1153.8177.800000113.3S215 S253 S299S215-G292 PolarHBondContact OG-N 3.07Å; S253-G292 PolarHBondContact OG-O 3.27Å; G292-S299 PolarHBondContact N-OG 3.12Å; G292-S299 PolarHBondContact O-N 2.82Å; G292-S299 PolarHBondContact O-OG 3.04Å
293E98.9Very high98.5Very high15 Ų159.1 Ų9.17%0.075%0.05CC..EExtended strand (participates in β ladder)trans-112.2124.7175.4-174.4-176.491.400110R79 M249 H251 Y297R79-E293 WeakPolarHBondContact CG-OE1 3.43Å; R79-E293 IonicContact CZ-OE2 3.42Å; R79-E293 IonicContact NE-OE1 2.64Å; R79-E293 PolarHBondContact NE-OE1 2.97Å; R79-E293 VanDerWaalsContact NE-OE1 3.12Å; R79-E293 IonicContact NE-OE2 3.63Å; R79-E293 PolarHBondContact NE-OE2 3.14Å; R79-E293 VanDerWaalsContact NE-OE2 3.13Å; R79-E293 IonicContact NH2-OE2 3.46Å; R79-E293 PolarHBondContact NH2-OE2 3.1Å; M249-E293 WeakPolarHBondContact CA-O 3.21Å; M249-E293 VanDerWaalsContact CB-O 3.31Å; M249-E293 WeakPolarHBondContact CB-O 3.29Å; M249-E293 WeakPolarHBondContact CG-O 3.46Å; H251-E293 HydrophobicContact CB-CB 4.2Å; H251-E293 PolarHBondContact O-N 3.3Å; E293-Y297 VanDerWaalsContact CA-O 3.31Å; E293-Y297 WeakPolarHBondContact CA-O 3.38Å; E293-Y297 WeakPolarHBondContact CG-O 3.39Å
294Y98.8Very high98.7Very high1 Ų17.7 Ų7.70%0.0044%0.035CC..BIsolated β-bridgetrans-117121.7171.9-172.7-109.8000109.3F13 L15 C18 L19 I21 V207 Y210 G247 M249 C296 Y297F13-Y294 HydrophobicContact CD1-CE1 4.43Å; F13-Y294 HydrophobicContact CE1-CE1 4.01Å; F13-Y294 HydrophobicContact CE1-CE2 4.1Å; F13-Y294 AromaticContact CE1-CZ 3.63Å; L15-Y294 HydrophobicContact CD1-CE2 4.25Å; C18-Y294 HydrophobicContact CB-CE2 3.89Å; C18-Y294 VanDerWaalsContact CB-OH 3.29Å; C18-Y294 WeakPolarHBondContact CB-OH 3.33Å; L19-Y294 HydrophobicContact CB-CE1 3.97Å; L19-Y294 WeakPolarHBondContact O-CE1 3.43Å; L19-Y294 PolarHBondContact O-OH 3.44Å; I21-Y294 HydrophobicContact CD1-CD1 3.87Å; I21-Y294 HydrophobicContact CD1-CE1 3.62Å; I21-Y294 HydrophobicContact CG1-CE1 4.18Å; V207-Y294 HydrophobicContact CG1-CD1 4.18Å; Y210-Y294 AromaticContact CD1-CD1 3.69Å; Y210-Y294 HydrophobicContact CD1-CD1 3.69Å; Y210-Y294 HydrophobicContact CD1-CE1 4.21Å; Y210-Y294 AromaticContact CD1-CG 3.86Å; Y210-Y294 HydrophobicContact CD1-CG 3.86Å; Y210-Y294 AromaticContact CE1-CD1 3.81Å; Y210-Y294 HydrophobicContact CE1-CD1 3.81Å; Y210-Y294 AromaticContact CE1-CD2 3.93Å; Y210-Y294 HydrophobicContact CE1-CD2 3.93Å; Y210-Y294 HydrophobicContact CE1-CE1 4.09Å; Y210-Y294 HydrophobicContact CE1-CE2 4.22Å; Y210-Y294 AromaticContact CE1-CG 3.72Å; Y210-Y294 HydrophobicContact CE1-CG 3.72Å; G247-Y294 VanDerWaalsContact O-CD2 3.3Å; G247-Y294 WeakPolarHBondContact O-CD2 3.19Å; M249-Y294 HydrophobicContact CG-CD2 4.38Å; Y294-C296 VanDerWaalsContact C-N 3.28Å; Y294-C296 PolarHBondContact O-N 2.98Å; Y294-Y297 PolarHBondContact N-O 2.98Å; Y294-Y297 PolarHBondContact O-N 2.89Å
295Y98.6Very high98.8Very high17 Ų173.1 Ų3.17%0.0672%0.016CC..THydrogen-bonded Turntrans50.948.6179.3-169.5-121.1000112.2F13 I21 M23 H26 H85 G89 L91 Y297F13-Y295 HydrophobicContact CB-CD2 4.38Å; F13-Y295 HydrophobicContact CB-CE2 4.02Å; F13-Y295 HydrophobicContact CD1-CD1 4.4Å; F13-Y295 AromaticContact CD1-CD2 3.58Å; F13-Y295 HydrophobicContact CD1-CD2 3.58Å; F13-Y295 HydrophobicContact CD1-CE2 4.09Å; F13-Y295 AromaticContact CD1-CG 3.75Å; F13-Y295 HydrophobicContact CD1-CG 3.75Å; F13-Y295 AromaticContact CD2-CD2 3.88Å; F13-Y295 HydrophobicContact CD2-CD2 3.88Å; F13-Y295 AromaticContact CD2-CE2 3.88Å; F13-Y295 HydrophobicContact CD2-CE2 3.88Å; F13-Y295 AromaticContact CE1-CD2 3.7Å; F13-Y295 HydrophobicContact CE1-CD2 3.7Å; F13-Y295 AromaticContact CE1-CG 3.9Å; F13-Y295 HydrophobicContact CE1-CG 3.9Å; F13-Y295 HydrophobicContact CE2-CD2 4Å; F13-Y295 HydrophobicContact CE2-CE2 4.38Å; F13-Y295 AromaticContact CG-CD2 3.66Å; F13-Y295 HydrophobicContact CG-CD2 3.66Å; F13-Y295 AromaticContact CG-CE2 3.71Å; F13-Y295 HydrophobicContact CG-CE2 3.71Å; F13-Y295 HydrophobicContact CG-CG 4.24Å; F13-Y295 AromaticContact CZ-CD2 3.91Å; F13-Y295 HydrophobicContact CZ-CD2 3.91Å; I21-Y295 HydrophobicContact CB-CD1 4.44Å; I21-Y295 HydrophobicContact CB-CE1 4.49Å; I21-Y295 HydrophobicContact CD1-CD1 3.36Å; I21-Y295 HydrophobicContact CD1-CE1 4.2Å; I21-Y295 HydrophobicContact CD1-CG 3.74Å; I21-Y295 HydrophobicContact CG1-CD1 4.48Å; I21-Y295 HydrophobicContact CG2-CD1 4.12Å; I21-Y295 HydrophobicContact CG2-CE1 3.97Å; M23-Y295 HydrophobicContact CE-CE1 4.39Å; M23-Y295 VanDerWaalsContact CE-OH 3.3Å; M23-Y295 WeakPolarHBondContact CE-OH 3.12Å; H26-Y295 AromaticContact CE1-CE1 3.83Å; H26-Y295 AromaticContact NE2-CE1 3.19Å; H26-Y295 WeakPolarHBondContact NE2-CE1 3.45Å; H26-Y295 AromaticContact NE2-CZ 3.39Å; H26-Y295 PolarHBondContact NE2-OH 3.33Å; H85-Y295 AromaticContact CE1-CD1 3.71Å; H85-Y295 AromaticContact CE1-CD2 3.89Å; H85-Y295 AromaticContact CE1-CE1 3.63Å; H85-Y295 AromaticContact CE1-CE2 3.76Å; H85-Y295 AromaticContact CE1-CG 3.86Å; H85-Y295 AromaticContact CE1-CZ 3.64Å; H85-Y295 PolarHBondContact CE1-O 3.41Å; H85-Y295 AromaticContact NE2-CD1 3.93Å; H85-Y295 AromaticContact NE2-CE1 3.96Å; H85-Y295 PolarHBondContact NE2-O 3.5Å; G89-Y295 WeakPolarHBondContact CA-OH 3.44Å; G89-Y295 PolarHBondContact O-OH 3.1Å; L91-Y295 HydrophobicContact CD1-CE2 4.31Å; L91-Y295 HydrophobicContact CD2-CD2 4Å; L91-Y295 HydrophobicContact CD2-CE2 3.84Å; L91-Y295 HydrophobicContact CG-CE2 4.24Å; Y295-Y297 HydrophobicContact CD1-CD2 4.5Å; Y295-Y297 HydrophobicContact CD1-CE2 4.45Å; Y295-Y297 VanDerWaalsContact O-CD2 3.26Å; Y295-Y297 WeakPolarHBondContact O-CD2 3.26Å; Y295-Y297 PolarHBondContact O-N 3.05Å; Y295-Y297 VanDerWaalsContact O-N 3.1Å
296C98.7Very high98.8Very high7 Ų73 Ų35%0.0472%0.015CC..THydrogen-bonded Turntrans61.28.5-176.8-57.40000116.4R79 H85 Y294 C387R79-C296 PolarHBondContact NH2-O 3.47Å; H85-C296 HydrophobicContact CB-CB 4.36Å; H85-C296 VanDerWaalsContact CD2-CB 3.47Å; H85-C296 WeakPolarHBondContact CD2-CB 3.36Å; Y294-C296 VanDerWaalsContact C-N 3.28Å; Y294-C296 PolarHBondContact O-N 2.98Å; C296-C387 CarbonylContact O-C 3.59Å; C296-C387 WeakPolarHBondContact O-CA 3.25Å
297Y98.9Very high98.7Very high1 Ų13.1 Ų3.10%0.0042%0.016CC..BIsolated β-bridgetrans-97134.7168.7-72.4-92000110.2L25 H85 E204 V207 I208 T211 E293 Y294 Y295L25-Y297 HydrophobicContact CD1-CE2 4.49Å; L25-Y297 WeakPolarHBondContact CD2-OH 3.47Å; H85-Y297 AromaticContact NE2-CE2 3.62Å; E204-Y297 HydrophobicContact CB-CE1 3.98Å; E204-Y297 HydrophobicContact CG-CE1 3.89Å; E204-Y297 WeakPolarHBondContact CG-OH 3.41Å; E204-Y297 PolarHBondContact OE1-OH 2.7Å; V207-Y297 HydrophobicContact CB-CD2 4.09Å; V207-Y297 HydrophobicContact CB-CG 4.04Å; V207-Y297 HydrophobicContact CG1-CD2 3.73Å; V207-Y297 HydrophobicContact CG1-CG 3.82Å; V207-Y297 HydrophobicContact CG2-CD2 4.4Å; I208-Y297 HydrophobicContact CD1-CD1 4.24Å; I208-Y297 HydrophobicContact CG1-CD1 3.92Å; T211-Y297 VanDerWaalsContact CG2-O 3.23Å; T211-Y297 WeakPolarHBondContact CG2-O 3.3Å; E293-Y297 VanDerWaalsContact CA-O 3.31Å; E293-Y297 WeakPolarHBondContact CA-O 3.38Å; E293-Y297 WeakPolarHBondContact CG-O 3.39Å; Y294-Y297 PolarHBondContact N-O 2.98Å; Y294-Y297 PolarHBondContact O-N 2.89Å; Y295-Y297 HydrophobicContact CD1-CD2 4.5Å; Y295-Y297 HydrophobicContact CD1-CE2 4.45Å; Y295-Y297 VanDerWaalsContact O-CD2 3.26Å; Y295-Y297 WeakPolarHBondContact O-CD2 3.26Å; Y295-Y297 PolarHBondContact O-N 3.05Å; Y295-Y297 VanDerWaalsContact O-N 3.1Å
298S98.9Very high98.5Very high1 Ų16.2 Ų6.21%0.0073%0.032CC..  trans-94.9162.8-171.1-70.30000113.7T211 S253 G386T211-S298 PolarHBondContact OG1-O 3.11Å; S253-S298 WeakPolarHBondContact OG-CA 3.49Å; S253-S298 WeakPolarHBondContact OG-CB 3.38Å; S253-S298 PolarHBondContact OG-OG 2.8Å; S298-G386 WeakPolarHBondContact CB-O 3.44Å; S298-G386 PolarHBondContact N-O 2.84Å
299S98.9Very high98.4Very high0 Ų06.6 Ų6.60%04%0.036CC..  trans-133.8157.7159.351.90000108.4S215 S253 G291 G292S215-S299 WeakPolarHBondContact CB-OG 3.42Å; S215-S299 PolarHBondContact OG-OG 3.24Å; S253-S299 PolarHBondContact OG-N 3.5Å; S253-S299 PolarHBondContact OG-O 2.94Å; G291-S299 VanDerWaalsContact CA-O 3.3Å; G291-S299 WeakPolarHBondContact CA-O 3.4Å; G292-S299 PolarHBondContact N-OG 3.12Å; G292-S299 PolarHBondContact O-N 2.82Å; G292-S299 PolarHBondContact O-OG 3.04Å
300D98.9Very high98.3Very high6 Ų612.8 Ų12.83%0.0327%0.065CC..  trans-147106.7-176.6-160.7-9.2000109.6Y254 H383 L385 V389 T424 N468Y254-D300 HydrophobicContact CE1-CB 4.35Å; Y254-D300 WeakPolarHBondContact CE1-OD1 3.44Å; Y254-D300 PolarHBondContact OH-OD1 3.14Å; D300-H383 IonicContact OD2-CE1 2.86Å; D300-H383 PolarHBondContact OD2-CE1 3.38Å; D300-H383 VanDerWaalsContact OD2-CE1 3.28Å; D300-H383 IonicContact OD2-NE2 3.75Å; D300-H383 PolarHBondContact OD2-NE2 3.02Å; D300-L385 HydrophobicContact CB-CD1 4.26Å; D300-V389 HydrophobicContact CB-CG2 3.97Å; D300-V389 WeakPolarHBondContact OD2-CG2 3.31Å; D300-T424 HydrophobicContact CB-CG2 3.94Å; D300-N468 PolarHBondContact N-OD1 3.36Å; D300-N468 VanDerWaalsContact N-OD1 3.09Å; D300-N468 VanDerWaalsContact O-CG 3.3Å; D300-N468 PolarHBondContact O-ND2 2.89Å; D300-N468 PolarHBondContact O-OD1 3.13Å
301I98.9Very high98.3Very high0 Ų013.3 Ų13.30%07%0.067CC..  trans-137126.6-170.9-59.9170.9000108.8S216 H219 M290 T480S216-I301 WeakPolarHBondContact OG-CD1 3.43Å; H219-I301 VanDerWaalsContact CD2-CG2 3.47Å; H219-I301 WeakPolarHBondContact CD2-CG2 3.37Å; H219-I301 PolarHBondContact CE1-O 2.98Å; H219-I301 VanDerWaalsContact CE1-O 3.3Å; H219-I301 PolarHBondContact NE2-O 3.45Å; M290-I301 PolarHBondContact N-O 3.45Å; I301-T480 HydrophobicContact CD1-CG2 3.94Å; I301-T480 HydrophobicContact CG1-CG2 4.01Å; I301-T480 HydrophobicContact CG2-CG2 3.77Å
302T98.9Very high98.3Very high0 Ų016.7 Ų16.70%09%0.088CC..EExtended strand (participates in β ladder)trans-110.6127.4172.2-560000111.2L287 F288 D289 R464 E466 R484L287-T302 HydrophobicContact CD2-CG2 3.64Å; L287-T302 HydrophobicContact CG-CG2 3.95Å; F288-T302 CarbonylContact O-C 3.59Å; F288-T302 WeakPolarHBondContact O-CA 3.5Å; D289-T302 HydrophobicContact CB-CG2 3.85Å; D289-T302 WeakPolarHBondContact CB-OG1 3.14Å; D289-T302 PolarHBondContact OD2-OG1 2.84Å; T302-R464 HydrophobicContact CG2-CB 3.83Å; T302-R464 HydrophobicContact CG2-CG 3.93Å; T302-R464 WeakPolarHBondContact CG2-O 3.49Å; T302-R464 PolarHBondContact OG1-NE 3.42Å; T302-R464 VanDerWaalsContact OG1-NE 3.12Å; T302-E466 PolarHBondContact O-N 2.94Å; T302-E466 PolarHBondContact OG1-OE2 2.95Å; T302-R484 PolarHBondContact O-NH1 3.15Å
303C98.9Very high98.2Very high1 Ų123 Ų231%0.00712%0.121CC..EExtended strand (participates in β ladder)trans-117.6123.5172.4-68.70000110.5M223 F288 F305M223-C303 HydrophobicContact CE-CB 3.5Å; M223-C303 VanDerWaalsContact CE-CB 3.5Å; M223-C303 VanDerWaalsContact CE-SG 3.57Å; F288-C303 PolarHBondContact N-O 2.9Å; F288-C303 PolarHBondContact O-N 3.39Å; C303-F305 HydrophobicContact CB-CD1 4.24Å; C303-F305 HydrophobicContact CB-CE1 4.22Å
304S98.8Very high98.2Very high1 Ų124.1 Ų24.11%0.00713%0.128CC..EExtended strand (participates in β ladder)trans-109.8133.2171.6-62.60000110.8C286 Y319 R464C286-S304 WeakPolarHBondContact O-CA 3.47Å; S304-Y319 VanDerWaalsContact O-CE2 3.25Å; S304-Y319 WeakPolarHBondContact O-CE2 3.41Å; S304-R464 PolarHBondContact OG-N 3.12Å; S304-R464 PolarHBondContact OG-O 3.27Å
305F98.6Very high98.2Very high1 Ų124.6 Ų24.60%0.00413%0.13CC..EExtended strand (participates in β ladder)trans-162.4155.2-177.954-88.3000111.2M223 C286 F288 C303 I489 M493M223-F305 HydrophobicContact CE-CD1 4.02Å; M223-F305 HydrophobicContact CE-CE1 4.37Å; M223-F305 HydrophobicContact CG-CD1 3.89Å; M223-F305 HydrophobicContact CG-CE1 3.68Å; M223-F305 HydrophobicContact CG-CE2 4.43Å; M223-F305 HydrophobicContact CG-CG 4.36Å; M223-F305 HydrophobicContact CG-CZ 3.96Å; C286-F305 HydrophobicContact CB-CD1 4.34Å; C286-F305 HydrophobicContact CB-CD2 4.06Å; C286-F305 HydrophobicContact CB-CE1 4.1Å; C286-F305 HydrophobicContact CB-CE2 3.83Å; C286-F305 HydrophobicContact CB-CG 4.32Å; C286-F305 HydrophobicContact CB-CZ 3.86Å; C286-F305 WeakPolarHBondContact CB-O 3.42Å; C286-F305 PolarHBondContact N-O 3.27Å; C286-F305 PolarHBondContact O-N 3.23Å; C286-F305 VanDerWaalsContact O-N 3.12Å; F288-F305 AromaticContact CD2-CE1 3.83Å; F288-F305 HydrophobicContact CD2-CE1 3.83Å; F288-F305 AromaticContact CD2-CZ 3.53Å; F288-F305 HydrophobicContact CD2-CZ 3.53Å; F288-F305 HydrophobicContact CE2-CE1 4.34Å; F288-F305 HydrophobicContact CE2-CE2 4.4Å; F288-F305 AromaticContact CE2-CZ 3.59Å; F288-F305 HydrophobicContact CE2-CZ 3.59Å; F288-F305 HydrophobicContact CG-CE1 4.44Å; F288-F305 HydrophobicContact CG-CZ 4.46Å; C303-F305 HydrophobicContact CB-CD1 4.24Å; C303-F305 HydrophobicContact CB-CE1 4.22Å; F305-I489 HydrophobicContact CB-CG2 3.71Å; F305-M493 HydrophobicContact CB-SD 4.13Å; F305-M493 HydrophobicContact CD2-CE 3.67Å; F305-M493 HydrophobicContact CD2-SD 3.66Å; F305-M493 HydrophobicContact CE2-CE 3.98Å; F305-M493 HydrophobicContact CE2-SD 4.42Å; F305-M493 HydrophobicContact CG-SD 4.17Å
306P98.1Very high98.2Very high0 Ų027 Ų270%014%0.141CC..EExtended strand (participates in β ladder)trans-70.3135.7174.729.2-35.9000110.4M285 N308 G309 Q310 F311 M493M285-P306 HydrophobicContact SD-CB 4.31Å; P306-N308 PolarHBondContact O-N 3.46Å; P306-N308 VanDerWaalsContact O-N 3.08Å; P306-G309 PolarHBondContact O-N 3.47Å; P306-Q310 WeakPolarHBondContact CB-O 3.5Å; P306-Q310 VanDerWaalsContact CG-C 3.45Å; P306-F311 HydrophobicContact CG-CD1 4.31Å; P306-F311 HydrophobicContact CG-CD2 3.66Å; P306-F311 HydrophobicContact CG-CE2 3.9Å; P306-F311 HydrophobicContact CG-CG 3.89Å; P306-F311 HydrophobicContact CG-CZ 4.32Å; P306-M493 WeakPolarHBondContact O-CE 2.96Å
307V96.7Very high98.2Very high3 Ų328.6 Ų28.62%0.01815%0.149CC..THydrogen-bonded Turntrans-51.6-37.4-179.1167.80000112.4P228 I280 K284 C286P228-V307 HydrophobicContact CB-CG1 4.3Å; P228-V307 HydrophobicContact CG-CG1 3.76Å; I280-V307 HydrophobicContact CG2-CB 4.17Å; I280-V307 HydrophobicContact CG2-CG1 3.43Å; I280-V307 VanDerWaalsContact CG2-CG1 3.43Å; I280-V307 HydrophobicContact CG2-CG2 3.56Å; K284-V307 HydrophobicContact CB-CG2 4.21Å; K284-V307 WeakPolarHBondContact O-CB 3.39Å; K284-V307 VanDerWaalsContact O-CG2 3.28Å; K284-V307 WeakPolarHBondContact O-CG2 3.49Å; K284-V307 PolarHBondContact O-N 3.23Å; C286-V307 WeakPolarHBondContact SG-CG2 3.02Å
308N95.7Very high98.1Very high66 Ų6628.5 Ų28.535%0.35315%0.149SC..THydrogen-bonded Turntrans-93.74.1-176.864.110.1000114.2D282 G283 P306 Q310D282-N308 WeakPolarHBondContact OD1-CB 3.39Å; D282-N308 PolarHBondContact OD1-ND2 3.24Å; G283-N308 PolarHBondContact N-ND2 2.91Å; P306-N308 PolarHBondContact O-N 3.46Å; P306-N308 VanDerWaalsContact O-N 3.08Å; N308-Q310 VanDerWaalsContact C-N 3.33Å; N308-Q310 PolarHBondContact O-N 2.98Å; N308-Q310 PolarHBondContact OD1-N 2.97Å; N308-Q310 PolarHBondContact OD1-O 3.31Å
309G96.3Very high98.1Very high9 Ų928.5 Ų28.59%0.09315%0.149CC..SBendtrans74.515.2177.200000115.4P306 E490P306-G309 PolarHBondContact O-N 3.47Å; G309-E490 WeakPolarHBondContact O-CG 3.46Å
310Q97.3Very high98.1Very high140 Ų14031.3 Ų31.365%0.65416%0.163SC*.  trans-134124172.5-65.8-175.625.700110.9P306 N308P306-Q310 WeakPolarHBondContact CB-O 3.5Å; P306-Q310 VanDerWaalsContact CG-C 3.45Å; N308-Q310 VanDerWaalsContact C-N 3.33Å; N308-Q310 PolarHBondContact O-N 2.98Å; N308-Q310 PolarHBondContact OD1-N 2.97Å; N308-Q310 PolarHBondContact OD1-O 3.31Å
311F98.5Very high98.1Very high11 Ų1131 Ų315%0.04816%0.162CC..  trans-78.5132.6-179.9-71.4-103.9000110.5M285 P306 Q315 K316 Y319 I486 I489 E490M285-F311 HydrophobicContact CE-CE1 4.01Å; M285-F311 HydrophobicContact SD-CE1 4.47Å; P306-F311 HydrophobicContact CG-CD1 4.31Å; P306-F311 HydrophobicContact CG-CD2 3.66Å; P306-F311 HydrophobicContact CG-CE2 3.9Å; P306-F311 HydrophobicContact CG-CG 3.89Å; P306-F311 HydrophobicContact CG-CZ 4.32Å; F311-Q315 HydrophobicContact CB-CB 4.32Å; F311-Q315 HydrophobicContact CD1-CB 3.91Å; F311-K316 HydrophobicContact CB-CD 4.28Å; F311-K316 HydrophobicContact CB-CG 3.44Å; F311-K316 VanDerWaalsContact CB-CG 3.44Å; F311-K316 HydrophobicContact CG-CG 4.31Å; F311-K316 VanDerWaalsContact O-CE 3.3Å; F311-K316 WeakPolarHBondContact O-CE 3.49Å; F311-Y319 HydrophobicContact CD1-CG 4.43Å; F311-Y319 HydrophobicContact CE1-CD1 4.2Å; F311-Y319 AromaticContact CE1-CD2 3.57Å; F311-Y319 HydrophobicContact CE1-CD2 3.57Å; F311-Y319 HydrophobicContact CE1-CE2 4.22Å; F311-Y319 AromaticContact CE1-CG 3.57Å; F311-Y319 HydrophobicContact CE1-CG 3.57Å; F311-Y319 HydrophobicContact CZ-CD1 4.36Å; F311-Y319 AromaticContact CZ-CD2 3.93Å; F311-Y319 HydrophobicContact CZ-CD2 3.93Å; F311-Y319 HydrophobicContact CZ-CE2 4.1Å; F311-Y319 HydrophobicContact CZ-CG 4.07Å; F311-I486 HydrophobicContact CD2-CB 4.4Å; F311-I486 HydrophobicContact CD2-CG1 4.23Å; F311-I486 HydrophobicContact CD2-CG2 3.8Å; F311-I486 HydrophobicContact CE2-CB 4.45Å; F311-I486 HydrophobicContact CE2-CG1 4.24Å; F311-I486 HydrophobicContact CE2-CG2 4.28Å; F311-I486 HydrophobicContact CG-CG1 4.37Å; F311-I486 HydrophobicContact CG-CG2 4.33Å; F311-I486 HydrophobicContact CZ-CG1 4.39Å; F311-I489 HydrophobicContact CE2-CB 4.05Å; F311-I489 HydrophobicContact CE2-CD1 4.39Å; F311-I489 HydrophobicContact CE2-CG2 3.74Å; F311-I489 HydrophobicContact CZ-CD1 4.03Å; F311-I489 HydrophobicContact CZ-CG2 4.19Å; F311-E490 HydrophobicContact CD2-CG 3.94Å; F311-E490 HydrophobicContact CE2-CG 4.37Å; F311-E490 PolarHBondContact N-OE1 3.14Å
312T98.2Very high98.1Very high70 Ų7031 Ų3143%0.42916%0.162SC..  trans-74162.4164.571.90000111D314 Q315 K316T312-D314 VanDerWaalsContact C-N 3.26Å; T312-D314 PolarHBondContact O-N 3.14Å; T312-Q315 CarbonylContact O-C 3.58Å; T312-Q315 WeakPolarHBondContact O-CA 3.32Å; T312-Q315 WeakPolarHBondContact O-CB 3.32Å; T312-Q315 PolarHBondContact O-N 3.2Å; T312-Q315 VanDerWaalsContact OG1-CG 3.27Å; T312-Q315 WeakPolarHBondContact OG1-CG 3.42Å; T312-Q315 PolarHBondContact OG1-N 3.22Å; T312-K316 WeakPolarHBondContact O-CG 3.48Å; T312-K316 PolarHBondContact O-N 2.91Å
313D97.7Very high98.1Very high132 Ų13231.9 Ų31.971%0.70617%0.167SC*.Hα-helixtrans-56.1-39.9179.1-65.4-20.7000112.8K316 L317D313-K316 PolarHBondContact O-N 3.22Å; D313-L317 PolarHBondContact O-N 3.25Å
314D97.6Very high98.1Very high40 Ų4034 Ų3421%0.21418%0.181CC..Hα-helixtrans-65.3-40.6174.6-79.7-13.9000112.2T312 L317 I318 R456 F457T312-D314 VanDerWaalsContact C-N 3.26Å; T312-D314 PolarHBondContact O-N 3.14Å; D314-L317 PolarHBondContact O-N 2.93Å; D314-I318 WeakPolarHBondContact O-CG1 3.34Å; D314-I318 PolarHBondContact O-N 3.01Å; D314-R456 IonicContact OD1-CZ 3.54Å; D314-R456 IonicContact OD1-NE 2.83Å; D314-R456 PolarHBondContact OD1-NE 2.77Å; D314-R456 VanDerWaalsContact OD1-NE 3.11Å; D314-R456 IonicContact OD1-NH2 3.92Å; D314-R456 PolarHBondContact OD1-NH2 2.72Å; D314-R456 WeakPolarHBondContact OD2-CD 3.38Å; D314-R456 IonicContact OD2-CZ 2.8Å; D314-R456 IonicContact OD2-NE 3.58Å; D314-R456 PolarHBondContact OD2-NE 2.91Å; D314-R456 IonicContact OD2-NH2 2.74Å; D314-F457 HydrophobicContact CB-CE1 3.73Å; D314-F457 HydrophobicContact CB-CZ 3.8Å; D314-F457 VanDerWaalsContact CG-CZ 3.48Å; D314-F457 VanDerWaalsContact OD1-CZ 3.27Å; D314-F457 WeakPolarHBondContact OD1-CZ 3.38Å
315Q98.5Very high98.1Very high10 Ų1034 Ų345%0.04718%0.181CC..Hα-helixtrans-66.7-41176.2-68167.2-12.200111.2G283 M285 F311 T312 L317 I318 Y319 F460G283-Q315 PolarHBondContact O-NE2 3.15Å; M285-Q315 HydrophobicContact CG-CG 3.9Å; M285-Q315 HydrophobicContact SD-CB 3.87Å; M285-Q315 VanDerWaalsContact SD-CD 3.59Å; M285-Q315 HydrophobicContact SD-CG 3.59Å; M285-Q315 VanDerWaalsContact SD-CG 3.59Å; F311-Q315 HydrophobicContact CB-CB 4.32Å; F311-Q315 HydrophobicContact CD1-CB 3.91Å; T312-Q315 CarbonylContact O-C 3.58Å; T312-Q315 WeakPolarHBondContact O-CA 3.32Å; T312-Q315 WeakPolarHBondContact O-CB 3.32Å; T312-Q315 PolarHBondContact O-N 3.2Å; T312-Q315 VanDerWaalsContact OG1-CG 3.27Å; T312-Q315 WeakPolarHBondContact OG1-CG 3.42Å; T312-Q315 PolarHBondContact OG1-N 3.22Å; Q315-L317 VanDerWaalsContact C-N 3.34Å; Q315-L317 PolarHBondContact O-N 3.3Å; Q315-I318 PolarHBondContact O-N 2.8Å; Q315-Y319 WeakPolarHBondContact O-CB 3.36Å; Q315-Y319 PolarHBondContact O-N 2.87Å; Q315-F460 HydrophobicContact CB-CE2 4.43Å; Q315-F460 HydrophobicContact CG-CE2 3.81Å; Q315-F460 HydrophobicContact CG-CZ 4.22Å
316K98.5Very high98.1Very high69 Ų6934 Ų3430%0.318%0.181SC..Hα-helixtrans-60.1-44175.6-67.2-175.2-179.4168.90111.3F311 T312 D313 I318 Y319 N320 I486F311-K316 HydrophobicContact CB-CD 4.28Å; F311-K316 HydrophobicContact CB-CG 3.44Å; F311-K316 VanDerWaalsContact CB-CG 3.44Å; F311-K316 HydrophobicContact CG-CG 4.31Å; F311-K316 VanDerWaalsContact O-CE 3.3Å; F311-K316 WeakPolarHBondContact O-CE 3.49Å; T312-K316 WeakPolarHBondContact O-CG 3.48Å; T312-K316 PolarHBondContact O-N 2.91Å; D313-K316 PolarHBondContact O-N 3.22Å; K316-I318 PolarHBondContact O-N 2.92Å; K316-Y319 PolarHBondContact O-N 3.07Å; K316-N320 VanDerWaalsContact O-CB 3.27Å; K316-N320 WeakPolarHBondContact O-CB 3.39Å; K316-N320 PolarHBondContact O-N 2.77Å; K316-N320 PolarHBondContact O-ND2 2.62Å; K316-I486 HydrophobicContact CB-CD1 3.87Å; K316-I486 HydrophobicContact CD-CD1 4.25Å; K316-I486 HydrophobicContact CG-CD1 3.72Å
317L98.4Very high98.2Very high39 Ų3937.8 Ų37.820%0.20420%0.195CC..Hα-helixtrans-56.7-52.5178.9174.561.5000111.6D313 D314 Q315 A321 L359 F457D313-L317 PolarHBondContact O-N 3.25Å; D314-L317 PolarHBondContact O-N 2.93Å; Q315-L317 VanDerWaalsContact C-N 3.34Å; Q315-L317 PolarHBondContact O-N 3.3Å; L317-A321 PolarHBondContact O-N 3.01Å; L317-A321 VanDerWaalsContact O-N 3.16Å; L317-L359 HydrophobicContact CD2-CD1 3.62Å; L317-F457 HydrophobicContact CD2-CZ 4.04Å
318I98.7Very high98.3Very high0 Ų038.6 Ų38.60%020%0.202CC..Hα-helixtrans-72.1-39-177.4-54.3-54.4000111.3D314 Q315 K316 A321 V322 L354 L359 C429 F431 F457 F460 V463D314-I318 WeakPolarHBondContact O-CG1 3.34Å; D314-I318 PolarHBondContact O-N 3.01Å; Q315-I318 PolarHBondContact O-N 2.8Å; K316-I318 PolarHBondContact O-N 2.92Å; I318-A321 WeakPolarHBondContact O-CB 3.41Å; I318-A321 PolarHBondContact O-N 2.81Å; I318-V322 PolarHBondContact O-N 2.71Å; I318-L354 HydrophobicContact CD1-CD2 3.58Å; I318-L359 HydrophobicContact CD1-CD2 4.26Å; I318-C429 HydrophobicContact CG2-CB 4.04Å; I318-F431 HydrophobicContact CD1-CE2 3.65Å; I318-F431 HydrophobicContact CD1-CZ 3.59Å; I318-F431 HydrophobicContact CG1-CE2 3.9Å; I318-F431 HydrophobicContact CG1-CZ 4.3Å; I318-F431 HydrophobicContact CG2-CE2 4.26Å; I318-F457 HydrophobicContact CD1-CD1 4.04Å; I318-F457 HydrophobicContact CD1-CE1 3.76Å; I318-F457 HydrophobicContact CD1-CZ 4.44Å; I318-F457 HydrophobicContact CG1-CD1 3.88Å; I318-F457 HydrophobicContact CG1-CE1 3.54Å; I318-F460 HydrophobicContact CB-CE1 3.96Å; I318-F460 HydrophobicContact CB-CZ 3.84Å; I318-F460 HydrophobicContact CG1-CE1 4.09Å; I318-F460 HydrophobicContact CG1-CE2 4.34Å; I318-F460 HydrophobicContact CG1-CZ 3.93Å; I318-F460 HydrophobicContact CG2-CE1 3.81Å; I318-F460 HydrophobicContact CG2-CZ 4.21Å; I318-V463 HydrophobicContact CG2-CB 4.28Å; I318-V463 HydrophobicContact CG2-CG2 4.05Å
319Y98.9Very high98.4Very high1 Ų135.5 Ų35.50%0.00419%0.185CC..Hα-helixtrans-61-48.1177.7-172.6-90.5000111.8S304 F311 Q315 K316 A321 V322 L323 V463 I465 R484 I486 I489S304-Y319 VanDerWaalsContact O-CE2 3.25Å; S304-Y319 WeakPolarHBondContact O-CE2 3.41Å; F311-Y319 HydrophobicContact CD1-CG 4.43Å; F311-Y319 HydrophobicContact CE1-CD1 4.2Å; F311-Y319 AromaticContact CE1-CD2 3.57Å; F311-Y319 HydrophobicContact CE1-CD2 3.57Å; F311-Y319 HydrophobicContact CE1-CE2 4.22Å; F311-Y319 AromaticContact CE1-CG 3.57Å; F311-Y319 HydrophobicContact CE1-CG 3.57Å; F311-Y319 HydrophobicContact CZ-CD1 4.36Å; F311-Y319 AromaticContact CZ-CD2 3.93Å; F311-Y319 HydrophobicContact CZ-CD2 3.93Å; F311-Y319 HydrophobicContact CZ-CE2 4.1Å; F311-Y319 HydrophobicContact CZ-CG 4.07Å; Q315-Y319 WeakPolarHBondContact O-CB 3.36Å; Q315-Y319 PolarHBondContact O-N 2.87Å; K316-Y319 PolarHBondContact O-N 3.07Å; Y319-A321 VanDerWaalsContact C-N 3.32Å; Y319-A321 PolarHBondContact O-N 3.02Å; Y319-V322 PolarHBondContact O-N 3.49Å; Y319-L323 HydrophobicContact CE1-CB 4.36Å; Y319-L323 HydrophobicContact CE1-CD2 4.21Å; Y319-L323 PolarHBondContact O-N 2.81Å; Y319-V463 HydrophobicContact CD2-CG1 3.85Å; Y319-V463 HydrophobicContact CD2-CG2 4.5Å; Y319-V463 HydrophobicContact CE2-CG1 4.38Å; Y319-I465 HydrophobicContact CE1-CD1 4.21Å; Y319-I465 HydrophobicContact CE2-CD1 3.93Å; Y319-I465 HydrophobicContact CE2-CG1 4.26Å; Y319-R484 VanDerWaalsContact CE1-O 3.25Å; Y319-R484 WeakPolarHBondContact CE1-O 3.34Å; Y319-R484 PolarHBondContact OH-O 2.92Å; Y319-I486 HydrophobicContact CD1-CD1 4.39Å; Y319-I486 HydrophobicContact CD1-CG1 3.83Å; Y319-I486 HydrophobicContact CE1-CG1 4.28Å; Y319-I489 HydrophobicContact CE1-CD1 4.29Å; Y319-I489 HydrophobicContact CE2-CD1 4Å; Y319-I489 WeakPolarHBondContact OH-CD1 3.41Å
320N98.8Very high98.5Very high58 Ų5835.3 Ų35.331%0.3118%0.182SC..Hα-helixtrans-65.5-34.3178.7-75.1-26.1000112.5K316 V322 L323 C324 I486K316-N320 VanDerWaalsContact O-CB 3.27Å; K316-N320 WeakPolarHBondContact O-CB 3.39Å; K316-N320 PolarHBondContact O-N 2.77Å; K316-N320 PolarHBondContact O-ND2 2.62Å; N320-V322 VanDerWaalsContact C-N 3.28Å; N320-V322 PolarHBondContact O-N 2.77Å; N320-L323 PolarHBondContact O-N 3.44Å; N320-C324 WeakPolarHBondContact O-CB 3.47Å; N320-C324 PolarHBondContact O-N 3.19Å; N320-C324 PolarHBondContact O-SG 2.53Å; N320-I486 WeakPolarHBondContact ND2-CD1 3.45Å; N320-I486 WeakPolarHBondContact OD1-CD1 3.32Å
321A98.8Very high98.6Very high0 Ų034.6 Ų34.60%018%0.183CC..Hα-helixtrans-57.3-43.6173.300000111.9L317 I318 Y319 A325 H353L317-A321 PolarHBondContact O-N 3.01Å; L317-A321 VanDerWaalsContact O-N 3.16Å; I318-A321 WeakPolarHBondContact O-CB 3.41Å; I318-A321 PolarHBondContact O-N 2.81Å; Y319-A321 VanDerWaalsContact C-N 3.32Å; Y319-A321 PolarHBondContact O-N 3.02Å; A321-A325 WeakPolarHBondContact O-CB 3.2Å; A321-A325 PolarHBondContact O-N 2.69Å; A321-H353 HydrophobicContact CB-CB 3.49Å; A321-H353 VanDerWaalsContact CB-CB 3.49Å
322V98.9Very high98.6Very high0 Ų038.5 Ų38.50%020%0.201CC..Hα-helixtrans-74.6-39.6178.7-179.20000111.7I318 Y319 N320 A325 S326 P427 C429 V463 I465I318-V322 PolarHBondContact O-N 2.71Å; Y319-V322 PolarHBondContact O-N 3.49Å; N320-V322 VanDerWaalsContact C-N 3.28Å; N320-V322 PolarHBondContact O-N 2.77Å; V322-A325 PolarHBondContact O-N 3.45Å; V322-S326 PolarHBondContact O-N 3.23Å; V322-P427 HydrophobicContact CG1-CB 4.44Å; V322-P427 HydrophobicContact CG1-CG 4.3Å; V322-P427 WeakPolarHBondContact CG1-O 3.41Å; V322-C429 HydrophobicContact CG2-CB 3.52Å; V322-V463 HydrophobicContact CB-CG1 3.89Å; V322-V463 HydrophobicContact CG1-CG1 4.14Å; V322-V463 HydrophobicContact CG2-CB 4.02Å; V322-V463 HydrophobicContact CG2-CG1 3.9Å; V322-I465 HydrophobicContact CB-CD1 4.4Å; V322-I465 HydrophobicContact CG1-CB 4.01Å; V322-I465 HydrophobicContact CG1-CD1 4.09Å; V322-I465 HydrophobicContact CG1-CG1 3.91Å
323L98.9Very high98.6Very high19 Ų1935.4 Ų35.410%0.09918%0.182CC..Hα-helixtrans-61.5-45.9176.7-17962.5000111.2Y319 N320 A325 S326 R327 I465 R484Y319-L323 HydrophobicContact CE1-CB 4.36Å; Y319-L323 HydrophobicContact CE1-CD2 4.21Å; Y319-L323 PolarHBondContact O-N 2.81Å; N320-L323 PolarHBondContact O-N 3.44Å; L323-A325 VanDerWaalsContact C-N 3.35Å; L323-A325 PolarHBondContact O-N 2.78Å; L323-S326 PolarHBondContact O-N 3.11Å; L323-R327 HydrophobicContact CD1-CG 4.23Å; L323-R327 WeakPolarHBondContact O-CG 3.42Å; L323-R327 PolarHBondContact O-N 2.67Å; L323-I465 HydrophobicContact CB-CD1 3.85Å; L323-I465 HydrophobicContact CD1-CD1 4.09Å; L323-R484 HydrophobicContact CD1-CB 4.23Å; L323-R484 WeakPolarHBondContact CD2-O 3.33Å
324C98.7Very high98.7Very high46 Ų4633.7 Ų33.731%0.31117%0.168SC..Hα-helixtrans-61.8-42.3176.2-72.50000111.7N320 S326 R327 A328 H353N320-C324 WeakPolarHBondContact O-CB 3.47Å; N320-C324 PolarHBondContact O-N 3.19Å; N320-C324 PolarHBondContact O-SG 2.53Å; C324-S326 PolarHBondContact O-N 3.13Å; C324-R327 PolarHBondContact O-N 2.64Å; C324-A328 VanDerWaalsContact O-CB 3.24Å; C324-A328 WeakPolarHBondContact O-CB 3.41Å; C324-A328 PolarHBondContact O-N 3.17Å; C324-H353 WeakPolarHBondContact CB-CE1 3.47Å; C324-H353 WeakPolarHBondContact CB-NE2 3.22Å; C324-H353 PolarHBondContact SG-NE2 3.37Å
325A98.9Very high98.7Very high0 Ų034 Ų340%017%0.173CC..Hα-helixtrans-60.4-44.3173.800000112.6A321 V322 L323 V329 A346 E349 I350 P427A321-A325 WeakPolarHBondContact O-CB 3.2Å; A321-A325 PolarHBondContact O-N 2.69Å; V322-A325 PolarHBondContact O-N 3.45Å; L323-A325 VanDerWaalsContact C-N 3.35Å; L323-A325 PolarHBondContact O-N 2.78Å; A325-V329 WeakPolarHBondContact O-CG2 3.34Å; A325-V329 PolarHBondContact O-N 3.01Å; A325-A346 HydrophobicContact CB-CB 4.16Å; A325-E349 HydrophobicContact CB-CB 3.89Å; A325-I350 HydrophobicContact CB-CD1 4.34Å; A325-I350 HydrophobicContact CB-CG1 3.9Å; A325-P427 HydrophobicContact CB-CB 4.02Å; A325-P427 HydrophobicContact CB-CG 4.27Å
326S98.9Very high98.7Very high0 Ų036 Ų360%020%0.195CC..Hα-helixtrans-59.9-50.8176.3167.10000111.2V322 L323 C324 A328 V329 L330V322-S326 PolarHBondContact O-N 3.23Å; L323-S326 PolarHBondContact O-N 3.11Å; C324-S326 PolarHBondContact O-N 3.13Å; S326-A328 PolarHBondContact O-N 2.93Å; S326-V329 PolarHBondContact O-N 3.26Å; S326-L330 VanDerWaalsContact O-CG 3.3Å; S326-L330 WeakPolarHBondContact O-CG 3.23Å; S326-L330 PolarHBondContact O-N 3.1Å
327R98.7Very high98.7Very high81 Ų8133.3 Ų33.331%0.30619%0.186SC..Hα-helixtrans-66.8-38.6-179.3-62.2-51.4180-139.39.1112.8L323 C324 L330 N331 D467 R484L323-R327 HydrophobicContact CD1-CG 4.23Å; L323-R327 WeakPolarHBondContact O-CG 3.42Å; L323-R327 PolarHBondContact O-N 2.67Å; C324-R327 PolarHBondContact O-N 2.64Å; R327-L330 PolarHBondContact O-N 2.63Å; R327-N331 WeakPolarHBondContact O-CB 3.48Å; R327-N331 PolarHBondContact O-N 3.1Å; R327-N331 PolarHBondContact O-ND2 3.06Å; R327-D467 IonicContact NH1-OD2 3.55Å; R327-D467 PolarHBondContact NH1-OD2 3.42Å; R327-D467 VanDerWaalsContact NH1-OD2 3.07Å; R327-R484 VanDerWaalsContact NH2-CB 3.26Å; R327-R484 VanDerWaalsContact NH2-CG 3.34Å
328A98.8Very high98.7Very high20 Ų2033.5 Ų33.517%0.16519%0.187CC..Hα-helixtrans-61.1-44.7174.800000111.6C324 S326 L345 E349C324-A328 VanDerWaalsContact O-CB 3.24Å; C324-A328 WeakPolarHBondContact O-CB 3.41Å; C324-A328 PolarHBondContact O-N 3.17Å; S326-A328 PolarHBondContact O-N 2.93Å; A328-L345 HydrophobicContact CB-CD1 4.39Å; A328-L345 HydrophobicContact CB-CD2 4.23Å; A328-L345 HydrophobicContact CB-CG 4.22Å; A328-E349 HydrophobicContact CB-CG 3.7Å
329V98.9Very high98.7Very high0 Ų033.5 Ų33.50%019%0.187CC..Hα-helixtrans-62.8-51.8175.7167.50000111.1A325 S326 N331 E332 I333 L342 L345 A346 L381 V425A325-V329 WeakPolarHBondContact O-CG2 3.34Å; A325-V329 PolarHBondContact O-N 3.01Å; S326-V329 PolarHBondContact O-N 3.26Å; V329-N331 PolarHBondContact O-N 3.44Å; V329-E332 PolarHBondContact O-N 2.83Å; V329-I333 HydrophobicContact CG1-CD1 4.24Å; V329-I333 HydrophobicContact CG1-CG1 4.37Å; V329-I333 WeakPolarHBondContact O-CG1 3.27Å; V329-I333 PolarHBondContact O-N 2.7Å; V329-L342 HydrophobicContact CG1-CB 4.36Å; V329-L342 WeakPolarHBondContact CG2-O 3.26Å; V329-L345 HydrophobicContact CG2-CD2 4.5Å; V329-A346 HydrophobicContact CG2-CB 3.89Å; V329-L381 HydrophobicContact CG1-CD2 3.88Å; V329-L381 HydrophobicContact CG2-CD1 4.15Å; V329-L381 HydrophobicContact CG2-CD2 3.84Å; V329-V425 HydrophobicContact CB-CG1 4.13Å; V329-V425 HydrophobicContact CG1-CG1 3.64Å; V329-V425 HydrophobicContact CG1-CG2 4.4Å
330L98.8Very high98.7Very high5 Ų534.9 Ų34.93%0.02620%0.196CC..Hα-helixtrans-55.1-40.5-179-72.6166.9000111.8S326 R327 E332 I333 V425 I469 H476S326-L330 VanDerWaalsContact O-CG 3.3Å; S326-L330 WeakPolarHBondContact O-CG 3.23Å; S326-L330 PolarHBondContact O-N 3.1Å; R327-L330 PolarHBondContact O-N 2.63Å; L330-E332 PolarHBondContact O-N 3.45Å; L330-I333 HydrophobicContact CD2-CD1 4.16Å; L330-I333 PolarHBondContact O-N 2.95Å; L330-V425 HydrophobicContact CD2-CB 4.37Å; L330-V425 HydrophobicContact CD2-CG1 4.44Å; L330-V425 HydrophobicContact CD2-CG2 4.04Å; L330-V425 HydrophobicContact CG-CG1 4.36Å; L330-I469 HydrophobicContact CD2-CG2 3.53Å; L330-H476 PolarHBondContact O-CE1 3.1Å; L330-H476 PolarHBondContact O-ND1 2.93Å; L330-H476 VanDerWaalsContact O-ND1 3.07Å
331N98.6Very high98.7Very high126 Ų12637.8 Ų37.867%0.67421%0.208SC*.Hα-helixtrans-62.5-23.9178.1-72-20000113.9R327 V329R327-N331 WeakPolarHBondContact O-CB 3.48Å; R327-N331 PolarHBondContact O-N 3.1Å; R327-N331 PolarHBondContact O-ND2 3.06Å; V329-N331 PolarHBondContact O-N 3.44Å
332E98.7Very high98.7Very high93 Ų9338.2 Ų38.244%0.43521%0.21SC..Hα-helixtrans-98.5-5.8179.6-67.3-59151.500113.5V329 L330 K334 L342 L345V329-E332 PolarHBondContact O-N 2.83Å; L330-E332 PolarHBondContact O-N 3.45Å; E332-K334 PolarHBondContact O-N 3.05Å; E332-L342 HydrophobicContact CB-CD2 3.51Å; E332-L345 HydrophobicContact CB-CD2 4.41Å; E332-L345 HydrophobicContact CG-CD2 3.87Å
333I98.8Very high98.7Very high4 Ų438.2 Ų38.22%0.02121%0.21CC..  trans-71.9117.4178.5-65.5-179000110.5V329 L330 L342 L417 V425 I469 V471 G475 H476V329-I333 HydrophobicContact CG1-CD1 4.24Å; V329-I333 HydrophobicContact CG1-CG1 4.37Å; V329-I333 WeakPolarHBondContact O-CG1 3.27Å; V329-I333 PolarHBondContact O-N 2.7Å; L330-I333 HydrophobicContact CD2-CD1 4.16Å; L330-I333 PolarHBondContact O-N 2.95Å; I333-L342 HydrophobicContact CG1-CD1 4.2Å; I333-L417 HydrophobicContact CB-CD1 4.46Å; I333-L417 HydrophobicContact CG1-CD1 4.3Å; I333-L417 HydrophobicContact CG2-CD1 3.82Å; I333-V425 HydrophobicContact CD1-CG2 3.53Å; I333-I469 HydrophobicContact CD1-CD1 4.13Å; I333-I469 HydrophobicContact CD1-CG1 3.91Å; I333-I469 HydrophobicContact CG2-CD1 3.95Å; I333-V471 HydrophobicContact CG2-CG2 4.02Å; I333-G475 CarbonylContact O-C 3.6Å; I333-G475 VanDerWaalsContact O-C 3.24Å; I333-G475 WeakPolarHBondContact O-CA 3.46Å; I333-H476 HydrophobicContact CB-CB 4.22Å; I333-H476 HydrophobicContact CG2-CB 3.69Å
334K98.7Very high98.7Very high97 Ų9740.7 Ų40.742%0.42222%0.221SC..SBendtrans-163.4167171.862.4-164.6170.4-155.20109.2E332 G336 A337E332-K334 PolarHBondContact O-N 3.05Å; K334-G336 PolarHBondContact O-N 3.11Å; K334-A337 VanDerWaalsContact O-CB 3.29Å; K334-A337 WeakPolarHBondContact O-CB 3.34Å; K334-A337 PolarHBondContact O-N 3.05Å; K334-A337 VanDerWaalsContact O-N 3.13Å
335P98.7Very high98.7Very high47 Ų4740.4 Ų40.431%0.30522%0.216SC..THydrogen-bonded Turntrans-54.3135.8172.6-27.237000111.9L417 A419 V471 T472P335-L417 CarbonylContact C-O 3.54Å; P335-L417 WeakPolarHBondContact CA-O 3.1Å; P335-A419 HydrophobicContact CG-CB 4.41Å; P335-V471 HydrophobicContact CG-CG1 4.1Å; P335-T472 WeakPolarHBondContact CD-O 3.47Å; P335-T472 WeakPolarHBondContact CG-O 3.46Å
336G98.4Very high98.7Very high50 Ų5040.4 Ų40.452%0.51522%0.216SC..THydrogen-bonded Turntrans87.2-9.5-177.100000115.4K334 L417K334-G336 PolarHBondContact O-N 3.11Å; G336-L417 PolarHBondContact N-O 3.29Å
337A98.6Very high98.7Very high14 Ų1440.4 Ų40.412%0.11622%0.216CC..  trans-62.8137.1173.800000111.2K334 L342 L416 L417K334-A337 VanDerWaalsContact O-CB 3.29Å; K334-A337 WeakPolarHBondContact O-CB 3.34Å; K334-A337 PolarHBondContact O-N 3.05Å; K334-A337 VanDerWaalsContact O-N 3.13Å; A337-L342 HydrophobicContact CB-CD1 4.19Å; A337-L416 CarbonylContact O-C 3.46Å; A337-L416 WeakPolarHBondContact O-CA 3.34Å; A337-L417 HydrophobicContact CB-CD1 4.2Å; A337-L417 HydrophobicContact CB-CG 4.42Å; A337-L417 PolarHBondContact O-N 2.9Å
338D98.5Very high98.7Very high42 Ų4240.8 Ų40.823%0.22522%0.217CC..BIsolated β-bridgetrans-88.5115.4-179179.3-13.6000110.7V340 Q341 L342 L416D338-V340 PolarHBondContact O-N 3.21Å; D338-V340 WeakPolarHBondContact OD1-CB 3.35Å; D338-V340 PolarHBondContact OD1-N 3.01Å; D338-Q341 HydrophobicContact CB-CB 4.03Å; D338-Q341 HydrophobicContact CB-CG 3.84Å; D338-Q341 WeakPolarHBondContact O-CB 3.09Å; D338-Q341 PolarHBondContact O-N 2.78Å; D338-Q341 WeakPolarHBondContact OD2-CG 3.3Å; D338-Q341 PolarHBondContact OD2-NE2 2.84Å; D338-L342 WeakPolarHBondContact O-CG 3.41Å; D338-L342 PolarHBondContact O-N 3.46Å; D338-L416 HydrophobicContact CB-CD2 3.69Å
339W98.7Very high98.7Very high0 Ų042.2 Ų42.20%022%0.221CC..Hα-helixtrans-59.6-30.9-177.4-162.9-112.7000113.5L342 H343 L381 G382 T413 R415 L417 M423 T424 V425W339-L342 HydrophobicContact CE3-CD1 3.72Å; W339-L342 HydrophobicContact CZ3-CD1 3.95Å; W339-H343 PolarHBondContact O-N 3.07Å; W339-L381 HydrophobicContact CH2-CD2 4.49Å; W339-L381 HydrophobicContact CZ2-CB 4.5Å; W339-L381 HydrophobicContact CZ2-CD2 4.4Å; W339-L381 HydrophobicContact CZ2-CG 4.21Å; W339-G382 PolarHBondContact NE1-O 3.02Å; W339-G382 VanDerWaalsContact NE1-O 3.13Å; W339-T413 HydrophobicContact CB-CG2 4.4Å; W339-T413 VanDerWaalsContact CD1-CG2 3.47Å; W339-T413 VanDerWaalsContact CD1-O 3.3Å; W339-T413 HydrophobicContact CD2-CG2 4.46Å; W339-T413 HydrophobicContact CG-CG2 3.87Å; W339-R415 WeakPolarHBondContact CB-O 3.21Å; W339-R415 PolarHBondContact N-O 3.36Å; W339-L417 HydrophobicContact CE3-CD1 4.07Å; W339-L417 HydrophobicContact CE3-CD2 3.76Å; W339-L417 HydrophobicContact CE3-CG 4.23Å; W339-L417 HydrophobicContact CZ3-CD1 4.15Å; W339-L417 HydrophobicContact CZ3-CD2 4.26Å; W339-M423 HydrophobicContact CD2-CE 3.78Å; W339-M423 HydrophobicContact CE3-CE 3.95Å; W339-M423 HydrophobicContact CG-CE 4.49Å; W339-M423 HydrophobicContact CH2-CB 4.11Å; W339-M423 HydrophobicContact CH2-CE 3.78Å; W339-M423 HydrophobicContact CZ2-CE 3.58Å; W339-M423 HydrophobicContact CZ3-CB 4.42Å; W339-M423 HydrophobicContact CZ3-CE 3.96Å; W339-M423 HydrophobicContact CZ3-CG 4.41Å; W339-T424 VanDerWaalsContact CH2-O 3.27Å; W339-T424 WeakPolarHBondContact CH2-O 3.2Å; W339-T424 WeakPolarHBondContact CZ2-O 3.15Å; W339-V425 HydrophobicContact CH2-CG2 4.23Å
340V98.6Very high98.7Very high30 Ų3042.3 Ų42.318%0.18222%0.221CC..Hα-helixtrans-69.1-40.1176.3-179.10000110.4D338 H343 Q344 L408 L411 A414D338-V340 PolarHBondContact O-N 3.21Å; D338-V340 WeakPolarHBondContact OD1-CB 3.35Å; D338-V340 PolarHBondContact OD1-N 3.01Å; V340-H343 PolarHBondContact O-N 2.78Å; V340-Q344 WeakPolarHBondContact O-CG 3.4Å; V340-Q344 PolarHBondContact O-N 3.46Å; V340-Q344 VanDerWaalsContact O-N 3.15Å; V340-L408 HydrophobicContact CG1-CD1 4.17Å; V340-L408 HydrophobicContact CG1-CD2 4.05Å; V340-L411 HydrophobicContact CG2-CD1 4.14Å; V340-A414 HydrophobicContact CG2-CB 3.73Å
341Q98.6Very high98.7Very high120 Ų12042 Ų4256%0.56122%0.22SC*.Hα-helixtrans-69.2-38.6177-66.4175.12800111.5D338 H343 Q344 L345D338-Q341 HydrophobicContact CB-CB 4.03Å; D338-Q341 HydrophobicContact CB-CG 3.84Å; D338-Q341 WeakPolarHBondContact O-CB 3.09Å; D338-Q341 PolarHBondContact O-N 2.78Å; D338-Q341 WeakPolarHBondContact OD2-CG 3.3Å; D338-Q341 PolarHBondContact OD2-NE2 2.84Å; Q341-H343 VanDerWaalsContact C-N 3.32Å; Q341-H343 PolarHBondContact O-N 3.46Å; Q341-Q344 PolarHBondContact O-N 3.41Å; Q341-L345 PolarHBondContact O-N 2.87Å
342L98.8Very high98.7Very high9 Ų937.2 Ų37.25%0.04720%0.195CC..Hα-helixtrans-61.5-40.6174-66.6177.1000111.5V329 E332 I333 A337 D338 W339 Q344 L345 A346 L381 L417V329-L342 HydrophobicContact CG1-CB 4.36Å; V329-L342 WeakPolarHBondContact CG2-O 3.26Å; E332-L342 HydrophobicContact CB-CD2 3.51Å; I333-L342 HydrophobicContact CG1-CD1 4.2Å; A337-L342 HydrophobicContact CB-CD1 4.19Å; D338-L342 WeakPolarHBondContact O-CG 3.41Å; D338-L342 PolarHBondContact O-N 3.46Å; W339-L342 HydrophobicContact CE3-CD1 3.72Å; W339-L342 HydrophobicContact CZ3-CD1 3.95Å; L342-Q344 VanDerWaalsContact C-N 3.34Å; L342-Q344 PolarHBondContact O-N 3.07Å; L342-L345 HydrophobicContact CD2-CD2 4.47Å; L342-L345 WeakPolarHBondContact O-CB 3.21Å; L342-L345 PolarHBondContact O-N 3.32Å; L342-A346 PolarHBondContact O-N 3.2Å; L342-L381 HydrophobicContact CB-CD2 3.71Å; L342-L381 WeakPolarHBondContact O-CD2 3.44Å; L342-L417 HydrophobicContact CD1-CD1 4.04Å
343H98.9Very high98.7Very high0 Ų034.5 Ų34.50%018%0.182CC..Hα-helixtrans-60.7-43.9173.5177.799.4000112.1W339 V340 Q341 L345 A346 E347 M377 H379 L381 L408 L411W339-H343 PolarHBondContact O-N 3.07Å; V340-H343 PolarHBondContact O-N 2.78Å; Q341-H343 VanDerWaalsContact C-N 3.32Å; Q341-H343 PolarHBondContact O-N 3.46Å; H343-L345 VanDerWaalsContact C-N 3.29Å; H343-L345 PolarHBondContact O-N 2.79Å; H343-A346 PolarHBondContact O-N 3.05Å; H343-E347 IonicContact CD2-OE2 2.62Å; H343-E347 IonicContact NE2-OE1 3.76Å; H343-E347 PolarHBondContact NE2-OE1 3.06Å; H343-E347 IonicContact NE2-OE2 4Å; H343-E347 PolarHBondContact O-N 3.21Å; H343-M377 WeakPolarHBondContact CE1-CE 3.28Å; H343-M377 WeakPolarHBondContact ND1-CE 3.41Å; H343-H379 PolarHBondContact CE1-O 3.5Å; H343-H379 VanDerWaalsContact CE1-O 3.29Å; H343-L381 HydrophobicContact CB-CB 3.83Å; H343-L381 HydrophobicContact CB-CD2 4.29Å; H343-L381 VanDerWaalsContact N-CD2 3.35Å; H343-L381 PolarHBondContact ND1-N 3.05Å; H343-L381 VanDerWaalsContact ND1-N 3.18Å; H343-L408 HydrophobicContact CB-CD2 4.29Å; H343-L408 WeakPolarHBondContact CD2-CD2 3.47Å; H343-L411 HydrophobicContact CB-CD1 4.11Å; H343-L411 HydrophobicContact CB-CD2 3.94Å; H343-L411 HydrophobicContact CB-CG 4.49Å
344Q98.8Very high98.7Very high70 Ų7034.3 Ų34.333%0.32718%0.181SC..Hα-helixtrans-66.3-31.9177-69175.1-25.400112.5V340 Q341 L342 R348 M368 L408V340-Q344 WeakPolarHBondContact O-CG 3.4Å; V340-Q344 PolarHBondContact O-N 3.46Å; V340-Q344 VanDerWaalsContact O-N 3.15Å; Q341-Q344 PolarHBondContact O-N 3.41Å; L342-Q344 VanDerWaalsContact C-N 3.34Å; L342-Q344 PolarHBondContact O-N 3.07Å; Q344-R348 WeakPolarHBondContact O-CB 3.19Å; Q344-R348 PolarHBondContact O-N 3.37Å; Q344-M368 HydrophobicContact CB-CE 3.9Å; Q344-M368 HydrophobicContact CG-CE 4.39Å; Q344-M368 WeakPolarHBondContact O-CE 3.43Å; Q344-L408 HydrophobicContact CG-CD2 4.22Å
345L98.9Very high98.7Very high40 Ų4034 Ų3421%0.20918%0.178CC..Hα-helixtrans-61.9-49.6171.7174.961.4000110.5A328 V329 E332 Q341 L342 H343 E347 R348 E349A328-L345 HydrophobicContact CB-CD1 4.39Å; A328-L345 HydrophobicContact CB-CD2 4.23Å; A328-L345 HydrophobicContact CB-CG 4.22Å; V329-L345 HydrophobicContact CG2-CD2 4.5Å; E332-L345 HydrophobicContact CB-CD2 4.41Å; E332-L345 HydrophobicContact CG-CD2 3.87Å; Q341-L345 PolarHBondContact O-N 2.87Å; L342-L345 HydrophobicContact CD2-CD2 4.47Å; L342-L345 WeakPolarHBondContact O-CB 3.21Å; L342-L345 PolarHBondContact O-N 3.32Å; H343-L345 VanDerWaalsContact C-N 3.29Å; H343-L345 PolarHBondContact O-N 2.79Å; L345-E347 PolarHBondContact O-N 3.44Å; L345-R348 WeakPolarHBondContact O-CB 3.22Å; L345-R348 PolarHBondContact O-N 3.44Å; L345-R348 VanDerWaalsContact O-N 3.15Å; L345-E349 HydrophobicContact CD1-CG 4.37Å; L345-E349 WeakPolarHBondContact O-CG 3.46Å; L345-E349 PolarHBondContact O-N 3.32Å
346A98.9Very high98.7Very high0 Ų038.2 Ų38.20%019%0.193CC..Hα-helixtrans-58.2-45.9176.300000112.6A325 V329 L342 H343 R348 E349 I350 M377 L381 P427A325-A346 HydrophobicContact CB-CB 4.16Å; V329-A346 HydrophobicContact CG2-CB 3.89Å; L342-A346 PolarHBondContact O-N 3.2Å; H343-A346 PolarHBondContact O-N 3.05Å; A346-R348 VanDerWaalsContact C-N 3.32Å; A346-R348 PolarHBondContact O-N 2.69Å; A346-E349 PolarHBondContact O-N 3.47Å; A346-I350 WeakPolarHBondContact O-CG1 3.45Å; A346-I350 PolarHBondContact O-N 3.1Å; A346-M377 HydrophobicContact CB-CE 4.17Å; A346-M377 HydrophobicContact CB-SD 4.38Å; A346-L381 HydrophobicContact CB-CD1 3.76Å; A346-P427 HydrophobicContact CB-CB 4.18Å
347E98.8Very high98.7Very high1 Ų137.2 Ų37.21%0.00518%0.182CC..Hα-helixtrans-59.7-42175.6-71.9-177.8130.400112.1H343 L345 I350 L351 M368 R371 A374 M377H343-E347 IonicContact CD2-OE2 2.62Å; H343-E347 IonicContact NE2-OE1 3.76Å; H343-E347 PolarHBondContact NE2-OE1 3.06Å; H343-E347 IonicContact NE2-OE2 4Å; H343-E347 PolarHBondContact O-N 3.21Å; L345-E347 PolarHBondContact O-N 3.44Å; E347-I350 PolarHBondContact O-N 3.38Å; E347-L351 WeakPolarHBondContact O-CB 3.32Å; E347-L351 VanDerWaalsContact O-CG 3.23Å; E347-L351 WeakPolarHBondContact O-CG 3.29Å; E347-L351 PolarHBondContact O-N 3.18Å; E347-M368 HydrophobicContact CB-CE 4.06Å; E347-M368 HydrophobicContact CB-SD 4.04Å; E347-R371 IonicContact OE1-CZ 2.78Å; E347-R371 IonicContact OE1-NH1 2.64Å; E347-R371 IonicContact OE1-NH2 2.67Å; E347-R371 PolarHBondContact OE1-NH2 3.09Å; E347-R371 IonicContact OE2-CZ 3.5Å; E347-R371 IonicContact OE2-NH1 2.69Å; E347-R371 PolarHBondContact OE2-NH1 3.46Å; E347-R371 IonicContact OE2-NH2 3.37Å; E347-R371 PolarHBondContact OE2-NH2 2.71Å; E347-A374 PolarHBondContact OE1-N 2.85Å; E347-M377 HydrophobicContact CG-CE 3.71Å
348R98.8Very high98.6Very high88 Ų8837.9 Ų37.933%0.33219%0.191SC..Hα-helixtrans-62.1-46178.2177.2-176.9-62.6-801.5111.4Q344 L345 A346 L351 T352 I364 N365 M368Q344-R348 WeakPolarHBondContact O-CB 3.19Å; Q344-R348 PolarHBondContact O-N 3.37Å; L345-R348 WeakPolarHBondContact O-CB 3.22Å; L345-R348 PolarHBondContact O-N 3.44Å; L345-R348 VanDerWaalsContact O-N 3.15Å; A346-R348 VanDerWaalsContact C-N 3.32Å; A346-R348 PolarHBondContact O-N 2.69Å; R348-L351 PolarHBondContact O-N 3.36Å; R348-T352 WeakPolarHBondContact O-CB 3.28Å; R348-T352 PolarHBondContact O-N 3.05Å; R348-T352 PolarHBondContact O-OG1 3.09Å; R348-I364 HydrophobicContact CG-CG2 3.97Å; R348-N365 PolarHBondContact NH1-OD1 3.12Å; R348-M368 HydrophobicContact CB-CE 4.29Å; R348-M368 HydrophobicContact CB-SD 4.13Å
349E98.8Very high98.6Very high50 Ų5035.9 Ų35.923%0.23418%0.18CC..Hα-helixtrans-61-47177.8-70.3-54.3139.700111.1A325 A328 L345 A346 L351 T352 H353A325-E349 HydrophobicContact CB-CB 3.89Å; A328-E349 HydrophobicContact CB-CG 3.7Å; L345-E349 HydrophobicContact CD1-CG 4.37Å; L345-E349 WeakPolarHBondContact O-CG 3.46Å; L345-E349 PolarHBondContact O-N 3.32Å; A346-E349 PolarHBondContact O-N 3.47Å; E349-L351 PolarHBondContact O-N 2.63Å; E349-T352 PolarHBondContact O-N 3.43Å; E349-H353 PolarHBondContact O-N 2.89Å; E349-H353 PolarHBondContact O-ND1 3.09Å; E349-H353 IonicContact OE2-CE1 2.66Å
350I98.9Very high98.6Very high2 Ų236 Ų361%0.0118%0.181CC..Hα-helixtrans-58.1-51.5176.8-69167000110.5A325 A346 E347 T352 H353 L354 F376 M377 G428 C429A325-I350 HydrophobicContact CB-CD1 4.34Å; A325-I350 HydrophobicContact CB-CG1 3.9Å; A346-I350 WeakPolarHBondContact O-CG1 3.45Å; A346-I350 PolarHBondContact O-N 3.1Å; E347-I350 PolarHBondContact O-N 3.38Å; I350-T352 VanDerWaalsContact C-N 3.28Å; I350-T352 PolarHBondContact O-N 2.84Å; I350-H353 PolarHBondContact O-N 3.35Å; I350-L354 HydrophobicContact CG2-CD1 3.78Å; I350-L354 HydrophobicContact CG2-CG 4.24Å; I350-L354 VanDerWaalsContact O-CG 3.25Å; I350-L354 WeakPolarHBondContact O-CG 3.43Å; I350-L354 PolarHBondContact O-N 3.13Å; I350-F376 HydrophobicContact CG2-CB 4.34Å; I350-M377 HydrophobicContact CD1-CB 4.28Å; I350-M377 HydrophobicContact CD1-SD 3.84Å; I350-G428 WeakPolarHBondContact CD1-O 3.24Å; I350-C429 HydrophobicContact CG2-CB 4.18Å
351L98.9Very high98.6Very high0 Ų038.4 Ų38.40%019%0.192CC..Hα-helixtrans-61.9-36.5-179.8-68.6175000112.4E347 R348 E349 R355 L360 I364 M367 M368 L372 F376E347-L351 WeakPolarHBondContact O-CB 3.32Å; E347-L351 VanDerWaalsContact O-CG 3.23Å; E347-L351 WeakPolarHBondContact O-CG 3.29Å; E347-L351 PolarHBondContact O-N 3.18Å; R348-L351 PolarHBondContact O-N 3.36Å; E349-L351 PolarHBondContact O-N 2.63Å; L351-R355 WeakPolarHBondContact O-CB 3.45Å; L351-R355 PolarHBondContact O-N 3.35Å; L351-L360 HydrophobicContact CB-CD1 4.4Å; L351-L360 HydrophobicContact CD2-CD1 3.55Å; L351-I364 HydrophobicContact CB-CD1 4.11Å; L351-M367 HydrophobicContact CB-SD 4.49Å; L351-M367 HydrophobicContact CD1-CB 3.96Å; L351-M368 HydrophobicContact CD1-CG 4.33Å; L351-M368 HydrophobicContact CD1-SD 3.67Å; L351-L372 HydrophobicContact CD2-CB 4.33Å; L351-L372 HydrophobicContact CD2-CD2 4.05Å; L351-L372 HydrophobicContact CD2-CG 3.99Å; L351-F376 HydrophobicContact CD2-CD2 4.04Å; L351-F376 HydrophobicContact CD2-CE2 4.31Å
352T98.8Very high98.5Very high25 Ų2535.1 Ų35.115%0.15319%0.19CC..Hα-helixtrans-64.4-48.1178.5-59.90000110.6R348 E349 I350 R355 E356R348-T352 WeakPolarHBondContact O-CB 3.28Å; R348-T352 PolarHBondContact O-N 3.05Å; R348-T352 PolarHBondContact O-OG1 3.09Å; E349-T352 PolarHBondContact O-N 3.43Å; I350-T352 VanDerWaalsContact C-N 3.28Å; I350-T352 PolarHBondContact O-N 2.84Å; T352-R355 WeakPolarHBondContact O-CB 3.4Å; T352-R355 PolarHBondContact O-N 3.09Å; T352-E356 WeakPolarHBondContact O-CG 3.44Å; T352-E356 PolarHBondContact O-N 3.41Å
353H98.5Very high98.5Very high36 Ų3638 Ų3817%0.16721%0.205CC..Hα-helixtrans-65.4-41.2177.4-74.179000112.5A321 C324 E349 I350 R355 E356 G357A321-H353 HydrophobicContact CB-CB 3.49Å; A321-H353 VanDerWaalsContact CB-CB 3.49Å; C324-H353 WeakPolarHBondContact CB-CE1 3.47Å; C324-H353 WeakPolarHBondContact CB-NE2 3.22Å; C324-H353 PolarHBondContact SG-NE2 3.37Å; E349-H353 PolarHBondContact O-N 2.89Å; E349-H353 PolarHBondContact O-ND1 3.09Å; E349-H353 IonicContact OE2-CE1 2.66Å; I350-H353 PolarHBondContact O-N 3.35Å; H353-R355 VanDerWaalsContact C-N 3.3Å; H353-R355 PolarHBondContact O-N 3.42Å; H353-E356 PolarHBondContact O-N 3.09Å; H353-G357 PolarHBondContact O-N 3.19Å
354L98.7Very high98.5Very high0 Ų038.4 Ų38.40%021%0.208CC..Hα-helixtrans-64.2-35.8176.1-66.6176.5000111.9I318 I350 G358 L359 L360 F376I318-L354 HydrophobicContact CD1-CD2 3.58Å; I350-L354 HydrophobicContact CG2-CD1 3.78Å; I350-L354 HydrophobicContact CG2-CG 4.24Å; I350-L354 VanDerWaalsContact O-CG 3.25Å; I350-L354 WeakPolarHBondContact O-CG 3.43Å; I350-L354 PolarHBondContact O-N 3.13Å; L354-G358 PolarHBondContact O-N 3.39Å; L354-L359 HydrophobicContact CB-CB 4.49Å; L354-L359 HydrophobicContact CD2-CD2 3.9Å; L354-L359 WeakPolarHBondContact O-CB 3.28Å; L354-L359 PolarHBondContact O-N 3.03Å; L354-L360 HydrophobicContact CB-CD1 3.65Å; L354-L360 HydrophobicContact CB-CG 3.86Å; L354-L360 HydrophobicContact CD1-CD1 4.15Å; L354-L360 PolarHBondContact O-N 2.64Å; L354-F376 HydrophobicContact CD1-CB 4.4Å; L354-F376 HydrophobicContact CD1-CD1 3.93Å; L354-F376 HydrophobicContact CD1-CD2 3.87Å; L354-F376 HydrophobicContact CD1-CE1 4.13Å; L354-F376 HydrophobicContact CD1-CE2 4.07Å; L354-F376 HydrophobicContact CD1-CG 3.79Å; L354-F376 HydrophobicContact CD1-CZ 4.2Å
355R98.6Very high98.5Very high91 Ų9139.4 Ų39.434%0.34322%0.215SC..Hα-helixtrans-66.7-46173-175.5-17265.9169.9-1.5111.5L351 T352 H353 G357 G358 L360 G362 I364L351-R355 WeakPolarHBondContact O-CB 3.45Å; L351-R355 PolarHBondContact O-N 3.35Å; T352-R355 WeakPolarHBondContact O-CB 3.4Å; T352-R355 PolarHBondContact O-N 3.09Å; H353-R355 VanDerWaalsContact C-N 3.3Å; H353-R355 PolarHBondContact O-N 3.42Å; R355-G357 VanDerWaalsContact C-N 3.27Å; R355-G357 PolarHBondContact O-N 2.84Å; R355-G358 PolarHBondContact O-N 3.45Å; R355-L360 HydrophobicContact CB-CB 4.13Å; R355-G362 VanDerWaalsContact CD-O 3.32Å; R355-G362 WeakPolarHBondContact CD-O 3.15Å; R355-I364 HydrophobicContact CB-CD1 4.2Å
356E97.9Very high98.4Very high135 Ų13542 Ų4263%0.63123%0.226SC*.Hα-helixtrans-64-32.9177.9-72.7172.7-178.600112.6T352 H353 G358T352-E356 WeakPolarHBondContact O-CG 3.44Å; T352-E356 PolarHBondContact O-N 3.41Å; H353-E356 PolarHBondContact O-N 3.09Å; E356-G358 PolarHBondContact O-N 2.89Å
357G97.8Very high98.4Very high28 Ų2842 Ų4229%0.28923%0.226SC..THydrogen-bonded Turntrans-74.9-2170.800000115.2H353 R355 L359H353-G357 PolarHBondContact O-N 3.19Å; R355-G357 VanDerWaalsContact C-N 3.27Å; R355-G357 PolarHBondContact O-N 2.84Å; G357-L359 WeakPolarHBondContact O-CD1 3.46Å
358G97.7Very high98.4Very high28 Ų2842.9 Ų42.929%0.28923%0.231SC..THydrogen-bonded Turntrans829.8177.600000115.6L354 R355 E356 Q453L354-G358 PolarHBondContact O-N 3.39Å; R355-G358 PolarHBondContact O-N 3.45Å; E356-G358 PolarHBondContact O-N 2.89Å; G358-Q453 WeakPolarHBondContact O-CB 3.48Å; G358-Q453 WeakPolarHBondContact O-CG 3.17Å
359L98.3Very high98.4Very high0 Ų047.5 Ų47.50%025%0.253CS..SBendtrans-83.1-27.4178.7-76.464.4000112L317 I318 L354 G357 F431 D450 F457L317-L359 HydrophobicContact CD2-CD1 3.62Å; I318-L359 HydrophobicContact CD1-CD2 4.26Å; L354-L359 HydrophobicContact CB-CB 4.49Å; L354-L359 HydrophobicContact CD2-CD2 3.9Å; L354-L359 WeakPolarHBondContact O-CB 3.28Å; L354-L359 PolarHBondContact O-N 3.03Å; G357-L359 WeakPolarHBondContact O-CD1 3.46Å; L359-F431 HydrophobicContact CD2-CE1 4.11Å; L359-F431 HydrophobicContact CD2-CZ 3.91Å; L359-D450 PolarHBondContact O-N 3.12Å; L359-F457 HydrophobicContact CD1-CE2 3.86Å; L359-F457 HydrophobicContact CD1-CZ 4.33Å; L359-F457 HydrophobicContact CD2-CD2 3.7Å; L359-F457 HydrophobicContact CD2-CE2 3.72Å; L359-F457 HydrophobicContact CD2-CG 4.13Å; L359-F457 HydrophobicContact CD2-CZ 4.16Å; L359-F457 HydrophobicContact CG-CD2 4.17Å; L359-F457 HydrophobicContact CG-CE2 4Å
360L98.6Very high98.3Very high3 Ų347 Ų472%0.01626%0.256CS..BIsolated β-bridgetrans-120.8153.5-178.9-56.2-179.5000111.8L351 L354 R355 M367 L372 F376 F448 I449L351-L360 HydrophobicContact CB-CD1 4.4Å; L351-L360 HydrophobicContact CD2-CD1 3.55Å; L354-L360 HydrophobicContact CB-CD1 3.65Å; L354-L360 HydrophobicContact CB-CG 3.86Å; L354-L360 HydrophobicContact CD1-CD1 4.15Å; L354-L360 PolarHBondContact O-N 2.64Å; R355-L360 HydrophobicContact CB-CB 4.13Å; L360-M367 HydrophobicContact CB-CE 3.91Å; L360-M367 HydrophobicContact CB-SD 4.42Å; L360-M367 HydrophobicContact CD1-SD 4.17Å; L360-L372 HydrophobicContact CD1-CD2 4.25Å; L360-L372 HydrophobicContact CD2-CD2 4.26Å; L360-F376 HydrophobicContact CD1-CE2 4.21Å; L360-F376 HydrophobicContact CD2-CE2 3.95Å; L360-F376 HydrophobicContact CD2-CZ 3.93Å; L360-F448 CarbonylContact C-O 3.47Å; L360-F448 WeakPolarHBondContact CA-O 3.26Å; L360-F448 WeakPolarHBondContact CB-O 3.26Å; L360-F448 WeakPolarHBondContact CD2-O 3.39Å; L360-I449 HydrophobicContact CD2-CG1 4.03Å
361L98.2Very high98.3Very high81 Ų8148.1 Ų48.142%0.42426%0.26SS..  trans-127.5143.8-175.8-57.8174.5000110.9M367 F448 D450L361-M367 VanDerWaalsContact C-CE 3.49Å; L361-M367 WeakPolarHBondContact O-CE 3.44Å; L361-F448 PolarHBondContact N-O 2.9Å; L361-F448 WeakPolarHBondContact O-CA 3.34Å; L361-F448 WeakPolarHBondContact O-CD1 3.48Å; L361-D450 HydrophobicContact CD1-CB 4.1Å; L361-D450 HydrophobicContact CD2-CB 4.38Å; L361-D450 HydrophobicContact CG-CB 4.1Å
362G97.6Very high98.3Very high50 Ų5048.1 Ų48.152%0.51526%0.26SS..SBendtrans96-161.2173.200000115.4R355R355-G362 VanDerWaalsContact CD-O 3.32Å; R355-G362 WeakPolarHBondContact CD-O 3.15Å
363D98Very high98.2Very high69 Ų6947 Ų4737%0.36925%0.253SS..  trans-86.5133.9-173178.3-102.8000112.9N365 E366 M367D363-N365 VanDerWaalsContact C-N 3.34Å; D363-N365 PolarHBondContact O-N 2.78Å; D363-N365 VanDerWaalsContact OD1-CA 3.3Å; D363-N365 WeakPolarHBondContact OD1-CA 3.45Å; D363-N365 WeakPolarHBondContact OD1-CB 3.48Å; D363-N365 PolarHBondContact OD1-N 2.84Å; D363-E366 HydrophobicContact CB-CB 4.39Å; D363-E366 HydrophobicContact CB-CG 4.18Å; D363-E366 PolarHBondContact O-N 3.23Å; D363-E366 PolarHBondContact OD1-N 3.42Å; D363-M367 WeakPolarHBondContact O-CG 3.49Å; D363-M367 PolarHBondContact O-N 2.96Å; D363-M367 VanDerWaalsContact O-N 3.11Å
364I98.5Very high98.2Very high9 Ų945.7 Ų45.75%0.04625%0.248CC..Hα-helixtrans-66.2-35.1-178.3-63.7-64.9000111.6R348 L351 R355 M367 M368R348-I364 HydrophobicContact CG-CG2 3.97Å; L351-I364 HydrophobicContact CB-CD1 4.11Å; R355-I364 HydrophobicContact CB-CD1 4.2Å; I364-M367 HydrophobicContact CD1-CE 4.46Å; I364-M367 HydrophobicContact CD1-SD 3.83Å; I364-M367 PolarHBondContact O-N 3.25Å; I364-M368 HydrophobicContact CG2-CG 4.25Å; I364-M368 WeakPolarHBondContact O-CB 3.37Å; I364-M368 VanDerWaalsContact O-CG 3.29Å; I364-M368 WeakPolarHBondContact O-CG 3.19Å; I364-M368 PolarHBondContact O-N 2.8Å
365N98.5Very high98.2Very high92 Ų9246.3 Ų46.349%0.49225%0.251SS..Hα-helixtrans-69.7-36.3180-56.7-53.7000111.3R348 D363 M368 K369R348-N365 PolarHBondContact NH1-OD1 3.12Å; D363-N365 VanDerWaalsContact C-N 3.34Å; D363-N365 PolarHBondContact O-N 2.78Å; D363-N365 VanDerWaalsContact OD1-CA 3.3Å; D363-N365 WeakPolarHBondContact OD1-CA 3.45Å; D363-N365 WeakPolarHBondContact OD1-CB 3.48Å; D363-N365 PolarHBondContact OD1-N 2.84Å; N365-M368 PolarHBondContact O-N 2.98Å; N365-K369 WeakPolarHBondContact O-CB 3.3Å; N365-K369 PolarHBondContact O-N 3.04Å
366E98.5Very high98.2Very high94 Ų9442 Ų4244%0.43924%0.235SC..Hα-helixtrans-62.4-45.3170-67.8-162.218000112.1D363 M368 K369 S370 K447 F448D363-E366 HydrophobicContact CB-CB 4.39Å; D363-E366 HydrophobicContact CB-CG 4.18Å; D363-E366 PolarHBondContact O-N 3.23Å; D363-E366 PolarHBondContact OD1-N 3.42Å; E366-M368 VanDerWaalsContact C-N 3.33Å; E366-M368 PolarHBondContact O-N 3.37Å; E366-K369 PolarHBondContact O-N 3.3Å; E366-S370 WeakPolarHBondContact O-CB 3.47Å; E366-S370 PolarHBondContact O-N 2.92Å; E366-S370 PolarHBondContact O-OG 3.48Å; E366-K447 IonicContact OE2-NZ 3.04Å; E366-K447 PolarHBondContact OE2-NZ 2.92Å; E366-F448 HydrophobicContact CB-CE1 3.74Å; E366-F448 HydrophobicContact CB-CZ 3.65Å
367M98.6Very high98.3Very high0 Ų035.7 Ų35.70%021%0.206CC..Hα-helixtrans-59.1-43.9176.7-65.7174.7-168.400112L351 L360 L361 D363 I364 S370 R371 L372 F448L351-M367 HydrophobicContact CB-SD 4.49Å; L351-M367 HydrophobicContact CD1-CB 3.96Å; L360-M367 HydrophobicContact CB-CE 3.91Å; L360-M367 HydrophobicContact CB-SD 4.42Å; L360-M367 HydrophobicContact CD1-SD 4.17Å; L361-M367 VanDerWaalsContact C-CE 3.49Å; L361-M367 WeakPolarHBondContact O-CE 3.44Å; D363-M367 WeakPolarHBondContact O-CG 3.49Å; D363-M367 PolarHBondContact O-N 2.96Å; D363-M367 VanDerWaalsContact O-N 3.11Å; I364-M367 HydrophobicContact CD1-CE 4.46Å; I364-M367 HydrophobicContact CD1-SD 3.83Å; I364-M367 PolarHBondContact O-N 3.25Å; M367-S370 CarbonylContact O-C 3.58Å; M367-S370 PolarHBondContact O-N 2.96Å; M367-R371 PolarHBondContact O-N 3.03Å; M367-R371 VanDerWaalsContact O-N 3.12Å; M367-L372 HydrophobicContact CB-CB 4.13Å; M367-L372 HydrophobicContact CB-CD2 4.01Å; M367-L372 HydrophobicContact CG-CD2 3.76Å; M367-L372 PolarHBondContact O-N 3.25Å; M367-L372 HydrophobicContact SD-CD2 4.02Å; M367-F448 HydrophobicContact CE-CB 4.21Å; M367-F448 HydrophobicContact CE-CD1 4.18Å; M367-F448 HydrophobicContact CG-CB 4.1Å; M367-F448 HydrophobicContact CG-CD1 3.67Å; M367-F448 HydrophobicContact CG-CD2 4.27Å; M367-F448 HydrophobicContact CG-CE1 4.06Å; M367-F448 HydrophobicContact CG-CG 3.78Å; M367-F448 HydrophobicContact CG-CZ 4.5Å
368M98.4Very high98.3Very high19 Ų1935.2 Ų35.29%0.09420%0.197CC..Hα-helixtrans-62.9-44.7177-73.4-60.2-70.500111.8Q344 E347 R348 L351 I364 N365 E366 S370 R371Q344-M368 HydrophobicContact CB-CE 3.9Å; Q344-M368 HydrophobicContact CG-CE 4.39Å; Q344-M368 WeakPolarHBondContact O-CE 3.43Å; E347-M368 HydrophobicContact CB-CE 4.06Å; E347-M368 HydrophobicContact CB-SD 4.04Å; R348-M368 HydrophobicContact CB-CE 4.29Å; R348-M368 HydrophobicContact CB-SD 4.13Å; L351-M368 HydrophobicContact CD1-CG 4.33Å; L351-M368 HydrophobicContact CD1-SD 3.67Å; I364-M368 HydrophobicContact CG2-CG 4.25Å; I364-M368 WeakPolarHBondContact O-CB 3.37Å; I364-M368 VanDerWaalsContact O-CG 3.29Å; I364-M368 WeakPolarHBondContact O-CG 3.19Å; I364-M368 PolarHBondContact O-N 2.8Å; N365-M368 PolarHBondContact O-N 2.98Å; E366-M368 VanDerWaalsContact C-N 3.33Å; E366-M368 PolarHBondContact O-N 3.37Å; M368-S370 VanDerWaalsContact C-N 3.29Å; M368-S370 PolarHBondContact O-N 2.87Å; M368-R371 PolarHBondContact O-N 2.9Å
369K98.1Very high98.4Very high186 Ų18634.9 Ų34.981%0.80919%0.189SC*.Hα-helixtrans-61.4-38.9176.2-175.7179178.8-179.10111.7N365 E366 R371N365-K369 WeakPolarHBondContact O-CB 3.3Å; N365-K369 PolarHBondContact O-N 3.04Å; E366-K369 PolarHBondContact O-N 3.3Å; K369-R371 PolarHBondContact O-N 3.35Å
370S97.9Very high98.4Very high40 Ų4035.2 Ų35.228%0.2819%0.191SC..THydrogen-bonded Turntrans-78.50.4176.1-70.20000114.2E366 M367 M368 L372 L445E366-S370 WeakPolarHBondContact O-CB 3.47Å; E366-S370 PolarHBondContact O-N 2.92Å; E366-S370 PolarHBondContact O-OG 3.48Å; M367-S370 CarbonylContact O-C 3.58Å; M367-S370 PolarHBondContact O-N 2.96Å; M368-S370 VanDerWaalsContact C-N 3.29Å; M368-S370 PolarHBondContact O-N 2.87Å; S370-L372 VanDerWaalsContact C-N 3.26Å; S370-L372 PolarHBondContact O-N 3.08Å; S370-L445 WeakPolarHBondContact O-CD2 3.39Å
371R97.8Very high98.4Very high25 Ų2535 Ų359%0.09419%0.191CC..THydrogen-bonded Turntrans57.634.8-178.5-56.4-60-56.7142.46.6113.5E347 M367 M368 K369 G373 A374 P406E347-R371 IonicContact OE1-CZ 2.78Å; E347-R371 IonicContact OE1-NH1 2.64Å; E347-R371 IonicContact OE1-NH2 2.67Å; E347-R371 PolarHBondContact OE1-NH2 3.09Å; E347-R371 IonicContact OE2-CZ 3.5Å; E347-R371 IonicContact OE2-NH1 2.69Å; E347-R371 PolarHBondContact OE2-NH1 3.46Å; E347-R371 IonicContact OE2-NH2 3.37Å; E347-R371 PolarHBondContact OE2-NH2 2.71Å; M367-R371 PolarHBondContact O-N 3.03Å; M367-R371 VanDerWaalsContact O-N 3.12Å; M368-R371 PolarHBondContact O-N 2.9Å; K369-R371 PolarHBondContact O-N 3.35Å; R371-G373 PolarHBondContact O-N 3.38Å; R371-A374 PolarHBondContact O-N 3.29Å; R371-P406 HydrophobicContact CB-CB 4.31Å; R371-P406 HydrophobicContact CB-CG 4.44Å; R371-P406 PolarHBondContact NE-O 2.64Å; R371-P406 VanDerWaalsContact NE-O 3.12Å; R371-P406 PolarHBondContact NH2-O 2.84Å
372L98.5Very high98.4Very high0 Ų031.2 Ų31.20%017%0.171CC..THydrogen-bonded Turntrans-61.4-30.9175.9-175.863.7000112L351 L360 M367 S370 A374 I375 F376 L445 F448 I449L351-L372 HydrophobicContact CD2-CB 4.33Å; L351-L372 HydrophobicContact CD2-CD2 4.05Å; L351-L372 HydrophobicContact CD2-CG 3.99Å; L360-L372 HydrophobicContact CD1-CD2 4.25Å; L360-L372 HydrophobicContact CD2-CD2 4.26Å; M367-L372 HydrophobicContact CB-CB 4.13Å; M367-L372 HydrophobicContact CB-CD2 4.01Å; M367-L372 HydrophobicContact CG-CD2 3.76Å; M367-L372 PolarHBondContact O-N 3.25Å; M367-L372 HydrophobicContact SD-CD2 4.02Å; S370-L372 VanDerWaalsContact C-N 3.26Å; S370-L372 PolarHBondContact O-N 3.08Å; L372-A374 PolarHBondContact O-N 3.02Å; L372-I375 HydrophobicContact CD1-CB 4.5Å; L372-I375 HydrophobicContact CD1-CG1 4.08Å; L372-I375 VanDerWaalsContact O-CB 3.27Å; L372-I375 WeakPolarHBondContact O-CB 3.41Å; L372-I375 WeakPolarHBondContact O-CG1 3.47Å; L372-I375 PolarHBondContact O-N 3.22Å; L372-F376 HydrophobicContact CD1-CE2 4.37Å; L372-F376 HydrophobicContact CG-CE2 4.24Å; L372-L445 HydrophobicContact CB-CD2 4.35Å; L372-L445 HydrophobicContact CD1-CB 4.32Å; L372-L445 HydrophobicContact CD1-CD2 4.16Å; L372-F448 HydrophobicContact CD2-CB 3.68Å; L372-F448 HydrophobicContact CD2-CD2 4.31Å; L372-F448 HydrophobicContact CD2-CG 4.27Å; L372-I449 HydrophobicContact CD1-CD1 4.33Å
373G98.5Very high98.5Very high2 Ų229 Ų292%0.02115%0.147CC..Hα-helixtrans-53.1-38.1176.700000113.3R371 I375 F376 M377R371-G373 PolarHBondContact O-N 3.38Å; G373-I375 PolarHBondContact O-N 3.17Å; G373-I375 VanDerWaalsContact O-N 3.09Å; G373-F376 PolarHBondContact O-N 3.17Å; G373-M377 PolarHBondContact O-N 3.43Å
374A98.4Very high98.5Very high8 Ų825.8 Ų25.87%0.06613%0.13CC..Hα-helixtrans-66.4-12178.700000114.6E347 R371 L372 P378 P406E347-A374 PolarHBondContact OE1-N 2.85Å; R371-A374 PolarHBondContact O-N 3.29Å; L372-A374 PolarHBondContact O-N 3.02Å; A374-P378 WeakPolarHBondContact O-CA 3.37Å; A374-P378 WeakPolarHBondContact O-CB 3.45Å; A374-P406 VanDerWaalsContact CB-C 3.45Å; A374-P406 HydrophobicContact CB-CB 3.62Å
375I98.6Very high98.6Very high12 Ų1225.4 Ų25.46%0.06213%0.128CC..Hα-helixtrans-74.5-38.9171-59.8-58.2000110.5L372 G373 L435 A439 L445L372-I375 HydrophobicContact CD1-CB 4.5Å; L372-I375 HydrophobicContact CD1-CG1 4.08Å; L372-I375 VanDerWaalsContact O-CB 3.27Å; L372-I375 WeakPolarHBondContact O-CB 3.41Å; L372-I375 WeakPolarHBondContact O-CG1 3.47Å; L372-I375 PolarHBondContact O-N 3.22Å; G373-I375 PolarHBondContact O-N 3.17Å; G373-I375 VanDerWaalsContact O-N 3.09Å; I375-L435 HydrophobicContact CD1-CB 4.44Å; I375-L435 HydrophobicContact CG2-CB 4.22Å; I375-A439 HydrophobicContact CD1-CB 4.05Å; I375-A439 HydrophobicContact CG1-CB 3.97Å; I375-A439 HydrophobicContact CG2-CB 4.02Å; I375-L445 HydrophobicContact CD1-CD1 4.17Å; I375-L445 HydrophobicContact CG1-CD1 4.23Å
376F98.8Very high98.6Very high2 Ų221 Ų211%0.00911%0.105CC..Hα-helixtrans-96.1-27.8-176.2-61.5-72.8000113I350 L351 L354 L360 L372 G373 C429 Y430 F431 I454I350-F376 HydrophobicContact CG2-CB 4.34Å; L351-F376 HydrophobicContact CD2-CD2 4.04Å; L351-F376 HydrophobicContact CD2-CE2 4.31Å; L354-F376 HydrophobicContact CD1-CB 4.4Å; L354-F376 HydrophobicContact CD1-CD1 3.93Å; L354-F376 HydrophobicContact CD1-CD2 3.87Å; L354-F376 HydrophobicContact CD1-CE1 4.13Å; L354-F376 HydrophobicContact CD1-CE2 4.07Å; L354-F376 HydrophobicContact CD1-CG 3.79Å; L354-F376 HydrophobicContact CD1-CZ 4.2Å; L360-F376 HydrophobicContact CD1-CE2 4.21Å; L360-F376 HydrophobicContact CD2-CE2 3.95Å; L360-F376 HydrophobicContact CD2-CZ 3.93Å; L372-F376 HydrophobicContact CD1-CE2 4.37Å; L372-F376 HydrophobicContact CG-CE2 4.24Å; G373-F376 PolarHBondContact O-N 3.17Å; F376-C429 CarbonylContact O-C 3.58Å; F376-C429 WeakPolarHBondContact O-CA 3.43Å; F376-Y430 VanDerWaalsContact O-CD2 3.23Å; F376-Y430 WeakPolarHBondContact O-CD2 3.23Å; F376-Y430 PolarHBondContact O-N 2.7Å; F376-F431 HydrophobicContact CD1-CE1 4.49Å; F376-F431 HydrophobicContact CE1-CD1 4.39Å; F376-F431 HydrophobicContact CE1-CE1 4.03Å; F376-I454 HydrophobicContact CE1-CD1 3.94Å; F376-I454 HydrophobicContact CZ-CD1 3.76Å
377M98.8Very high98.6Very high1 Ų116.7 Ų16.71%0.0059%0.085CC..  trans-12977.5175.2-166.1175.783.300109.5H343 A346 E347 I350 G373 H379 P427 G428H343-M377 WeakPolarHBondContact CE1-CE 3.28Å; H343-M377 WeakPolarHBondContact ND1-CE 3.41Å; A346-M377 HydrophobicContact CB-CE 4.17Å; A346-M377 HydrophobicContact CB-SD 4.38Å; E347-M377 HydrophobicContact CG-CE 3.71Å; I350-M377 HydrophobicContact CD1-CB 4.28Å; I350-M377 HydrophobicContact CD1-SD 3.84Å; G373-M377 PolarHBondContact O-N 3.43Å; M377-H379 VanDerWaalsContact C-N 3.34Å; M377-H379 PolarHBondContact O-N 3.29Å; M377-P427 HydrophobicContact SD-CB 4.09Å; M377-G428 WeakPolarHBondContact CB-O 3.32Å; M377-G428 VanDerWaalsContact CG-O 3.24Å; M377-G428 WeakPolarHBondContact CG-O 3.39Å
378P98.6Very high98.6Very high18 Ų1818.6 Ų18.612%0.11710%0.095CC..  trans-76-17-174.129.9-36.5000114.2L267 A374 N410 I432 L435L267-P378 HydrophobicContact CD1-CG 4.24Å; A374-P378 WeakPolarHBondContact O-CA 3.37Å; A374-P378 WeakPolarHBondContact O-CB 3.45Å; P378-N410 PolarHBondContact O-ND2 2.81Å; P378-I432 HydrophobicContact CG-CD1 3.72Å; P378-L435 HydrophobicContact CB-CD1 3.71Å; P378-L435 HydrophobicContact CG-CD1 3.89Å
379H98.7Very high98.6Very high22 Ų2218.8 Ų18.810%0.10210%0.097CC..SBendtrans-91172.4178.962.488000112.1L267 H343 M377 E426 Y430L267-H379 HydrophobicContact CD1-CB 3.98Å; H343-H379 PolarHBondContact CE1-O 3.5Å; H343-H379 VanDerWaalsContact CE1-O 3.29Å; M377-H379 VanDerWaalsContact C-N 3.34Å; M377-H379 PolarHBondContact O-N 3.29Å; H379-E426 PolarHBondContact CE1-O 3.46Å; H379-E426 IonicContact CE1-OE2 3.38Å; H379-E426 IonicContact ND1-OE2 3.13Å; H379-Y430 AromaticContact CD2-CE2 3.43Å; H379-Y430 VanDerWaalsContact CD2-CE2 3.43Å; H379-Y430 WeakPolarHBondContact CD2-CE2 3.1Å; H379-Y430 AromaticContact CD2-CZ 3.81Å; H379-Y430 PolarHBondContact CD2-OH 3.4Å; H379-Y430 AromaticContact NE2-CE2 3.14Å; H379-Y430 WeakPolarHBondContact NE2-CE2 3.5Å; H379-Y430 AromaticContact NE2-CZ 3.38Å; H379-Y430 PolarHBondContact NE2-OH 3.39Å
380G98.7Very high98.6Very high6 Ų612.2 Ų12.26%0.0627%0.069CC..  trans-67.3155.7172.600000112G382G380-G382 PolarHBondContact O-N 3.44Å
381L98.8Very high98.7Very high0 Ų010.6 Ų10.60%06%0.057CC..SBendtrans-64-22.1179.317163.5000113.2V329 W339 L342 H343 A346 L411 E426 P427V329-L381 HydrophobicContact CG1-CD2 3.88Å; V329-L381 HydrophobicContact CG2-CD1 4.15Å; V329-L381 HydrophobicContact CG2-CD2 3.84Å; W339-L381 HydrophobicContact CH2-CD2 4.49Å; W339-L381 HydrophobicContact CZ2-CB 4.5Å; W339-L381 HydrophobicContact CZ2-CD2 4.4Å; W339-L381 HydrophobicContact CZ2-CG 4.21Å; L342-L381 HydrophobicContact CB-CD2 3.71Å; L342-L381 WeakPolarHBondContact O-CD2 3.44Å; H343-L381 HydrophobicContact CB-CB 3.83Å; H343-L381 HydrophobicContact CB-CD2 4.29Å; H343-L381 VanDerWaalsContact N-CD2 3.35Å; H343-L381 PolarHBondContact ND1-N 3.05Å; H343-L381 VanDerWaalsContact ND1-N 3.18Å; A346-L381 HydrophobicContact CB-CD1 3.76Å; L381-L411 HydrophobicContact CB-CD2 4.19Å; L381-E426 WeakPolarHBondContact O-CG 3.34Å; L381-E426 PolarHBondContact O-N 3.36Å; L381-P427 HydrophobicContact CD1-CB 4.03Å; L381-P427 HydrophobicContact CD1-CG 4.38Å
382G98.8Very high98.7Very high1 Ų19.7 Ų9.71%0.016%0.055CC..  trans160.2-173.2-179.200000111.1W339 G380 T424 E426W339-G382 PolarHBondContact NE1-O 3.02Å; W339-G382 VanDerWaalsContact NE1-O 3.13Å; G380-G382 PolarHBondContact O-N 3.44Å; G382-T424 WeakPolarHBondContact CA-O 3.27Å; G382-T424 VanDerWaalsContact CA-OG1 3.25Å; G382-T424 WeakPolarHBondContact CA-OG1 3.45Å; G382-E426 WeakPolarHBondContact CA-OE1 3.43Å
383H98.9Very high98.7Very high2 Ų29.9 Ų9.91%0.0096%0.057CC..  trans-152.1167.5-167.753.583.6000112.6D300 V389 H390 R412 M423 T424 E426D300-H383 IonicContact OD2-CE1 2.86Å; D300-H383 PolarHBondContact OD2-CE1 3.38Å; D300-H383 VanDerWaalsContact OD2-CE1 3.28Å; D300-H383 IonicContact OD2-NE2 3.75Å; D300-H383 PolarHBondContact OD2-NE2 3.02Å; H383-V389 PolarHBondContact CE1-O 3.42Å; H383-V389 PolarHBondContact ND1-O 3.05Å; H383-H390 AromaticContact CD2-CD2 3.5Å; H383-H390 PolarHBondContact CD2-CD2 2.97Å; H383-H390 VanDerWaalsContact CD2-CD2 3.5Å; H383-H390 AromaticContact CD2-NE2 3.88Å; H383-H390 AromaticContact CE1-CD2 3.52Å; H383-H390 AromaticContact CG-CD2 3.63Å; H383-H390 AromaticContact ND1-CD2 3.65Å; H383-H390 AromaticContact NE2-CD2 3.41Å; H383-H390 PolarHBondContact NE2-CD2 3.35Å; H383-H390 AromaticContact NE2-NE2 3.7Å; H383-R412 HydrophobicContact CB-CB 3.65Å; H383-R412 HydrophobicContact CB-CG 3.96Å; H383-M423 CarbonylContact O-C 3.55Å; H383-M423 VanDerWaalsContact O-CA 3.26Å; H383-M423 WeakPolarHBondContact O-CA 3.22Å; H383-T424 PolarHBondContact CD2-OG1 3.49Å; H383-T424 WeakPolarHBondContact CE1-CG2 3.48Å; H383-T424 PolarHBondContact N-OG1 3.24Å; H383-T424 PolarHBondContact NE2-OG1 2.82Å; H383-T424 PolarHBondContact O-N 3.11Å; H383-E426 IonicContact CD2-OE1 2.75Å; H383-E426 PolarHBondContact CD2-OE1 2.97Å; H383-E426 IonicContact NE2-OE1 3.12Å
384L98.9Very high98.7Very high3 Ų39.9 Ų9.92%0.0166%0.056CC..BIsolated β-bridgetrans-64.5144.8168.8-69.7158.4000109.4V198 V389 D391 V392 M421 V422 M423V198-L384 HydrophobicContact CG1-CD2 4.21Å; V198-L384 HydrophobicContact CG2-CD1 4.22Å; L384-V389 VanDerWaalsContact O-O 3.07Å; L384-D391 HydrophobicContact CB-CB 3.9Å; L384-D391 WeakPolarHBondContact O-CB 3.46Å; L384-D391 PolarHBondContact O-N 3.32Å; L384-V392 WeakPolarHBondContact CD1-O 3.29Å; L384-M421 HydrophobicContact CD2-CB 4.32Å; L384-M421 HydrophobicContact CD2-CG 4.26Å; L384-M421 HydrophobicContact CD2-SD 4.45Å; L384-V422 WeakPolarHBondContact CA-O 3.4Å; L384-M423 HydrophobicContact CB-SD 4.46Å; L384-M423 HydrophobicContact CD2-SD 3.49Å; L384-M423 WeakPolarHBondContact CD2-SD 3.35Å; L384-M423 HydrophobicContact CG-SD 3.86Å
385L98.9Very high98.7Very high0 Ų010.8 Ų10.80%06%0.058CC..  trans-129142178.317968.4000109.9K200 D300 V389 V422 T424 N468K200-L385 WeakPolarHBondContact CE-O 3.39Å; K200-L385 PolarHBondContact NZ-O 2.93Å; D300-L385 HydrophobicContact CB-CD1 4.26Å; L385-V389 HydrophobicContact CD1-CG2 4.32Å; L385-V389 WeakPolarHBondContact CD1-O 3.32Å; L385-V422 HydrophobicContact CB-CG1 4.01Å; L385-V422 HydrophobicContact CD2-CG1 4.13Å; L385-V422 HydrophobicContact CG-CG1 4.38Å; L385-V422 PolarHBondContact N-O 3.45Å; L385-V422 WeakPolarHBondContact O-CB 3.46Å; L385-T424 HydrophobicContact CB-CG2 4.43Å; L385-N468 HydrophobicContact CD2-CB 4.11Å; L385-N468 VanDerWaalsContact CD2-CG 3.44Å; L385-N468 WeakPolarHBondContact CD2-OD1 3.36Å
386G98.8Very high98.5Very high1 Ų111.1 Ų11.11%0.016%0.06CC..SBendtrans-176.6-123.7-179.800000112.3S298 D388 D391S298-G386 WeakPolarHBondContact CB-O 3.44Å; S298-G386 PolarHBondContact N-O 2.84Å; G386-D388 PolarHBondContact N-O 3.3Å; G386-D388 VanDerWaalsContact N-O 3.11Å; G386-D388 PolarHBondContact O-N 2.95Å; G386-D391 WeakPolarHBondContact CA-OD2 3.3Å
387C98.7Very high98.2Very high2 Ų219.2 Ų19.21%0.01410%0.103CC..SBendtrans-66.7-29.9174-570000111.8R79 C296R79-C387 PolarHBondContact NH2-O 3.2Å; C296-C387 CarbonylContact O-C 3.59Å; C296-C387 WeakPolarHBondContact O-CA 3.25Å
388D98.8Very high98Very high41 Ų4124.1 Ų24.122%0.21913%0.13CC..SBendtrans-107.1149.7170.1-57.1-52.9000108.9S82 R197 G386 D391S82-D388 WeakPolarHBondContact CB-OD1 3.4Å; S82-D388 PolarHBondContact OG-OD1 2.91Å; R197-D388 IonicContact CZ-OD2 3.27Å; R197-D388 IonicContact NH1-OD2 2.84Å; R197-D388 PolarHBondContact NH1-OD2 3.04Å; R197-D388 IonicContact NH2-OD2 2.84Å; R197-D388 PolarHBondContact NH2-OD2 3.09Å; G386-D388 PolarHBondContact N-O 3.3Å; G386-D388 VanDerWaalsContact N-O 3.11Å; G386-D388 PolarHBondContact O-N 2.95Å; D388-D391 PolarHBondContact O-N 3.43Å
389V98.8Very high97.8Very high22 Ų2224 Ų2413%0.13313%0.129CC..SBendtrans-59.6-52.2174.864.30000110.9Y254 D300 H383 L384 L385 D391Y254-V389 HydrophobicContact CD1-CB 4.12Å; Y254-V389 HydrophobicContact CD1-CG1 4.31Å; Y254-V389 HydrophobicContact CD1-CG2 3.62Å; Y254-V389 HydrophobicContact CE1-CG2 3.89Å; D300-V389 HydrophobicContact CB-CG2 3.97Å; D300-V389 WeakPolarHBondContact OD2-CG2 3.31Å; H383-V389 PolarHBondContact CE1-O 3.42Å; H383-V389 PolarHBondContact ND1-O 3.05Å; L384-V389 VanDerWaalsContact O-O 3.07Å; L385-V389 HydrophobicContact CD1-CG2 4.32Å; L385-V389 WeakPolarHBondContact CD1-O 3.32Å; V389-D391 PolarHBondContact O-N 3.32Å
390H98.8Very high97.7Very high49 Ų4926.2 Ų26.223%0.22715%0.145CC..SBendtrans-90.285.7164.8-60.7138.8000108.5H383 R412H383-H390 AromaticContact CD2-CD2 3.5Å; H383-H390 PolarHBondContact CD2-CD2 2.97Å; H383-H390 VanDerWaalsContact CD2-CD2 3.5Å; H383-H390 AromaticContact CD2-NE2 3.88Å; H383-H390 AromaticContact CE1-CD2 3.52Å; H383-H390 AromaticContact CG-CD2 3.63Å; H383-H390 AromaticContact ND1-CD2 3.65Å; H383-H390 AromaticContact NE2-CD2 3.41Å; H383-H390 PolarHBondContact NE2-CD2 3.35Å; H383-H390 AromaticContact NE2-NE2 3.7Å; H390-R412 WeakPolarHBondContact CD2-CD 3.48Å; H390-R412 PolarHBondContact CD2-NE 3.36Å; H390-R412 VanDerWaalsContact CE1-CZ 3.44Å; H390-R412 PolarHBondContact CE1-NE 2.89Å; H390-R412 PolarHBondContact CE1-NH2 3.03Å; H390-R412 PolarHBondContact NE2-NE 2.93Å; H390-R412 PolarHBondContact NE2-NH2 2.79Å
391D98.8Very high97.6Very high5 Ų531.1 Ų31.13%0.02718%0.178CC..  trans-71.2156.2-172.7-159.318.9000113R197 K200 L384 G386 D388 V389R197-D391 IonicContact CZ-OD1 2.84Å; R197-D391 IonicContact NE-OD1 3.68Å; R197-D391 IonicContact NH2-OD1 3.55Å; R197-D391 PolarHBondContact NH2-OD1 2.8Å; K200-D391 IonicContact NZ-OD2 3.48Å; K200-D391 PolarHBondContact NZ-OD2 3.39Å; L384-D391 HydrophobicContact CB-CB 3.9Å; L384-D391 WeakPolarHBondContact O-CB 3.46Å; L384-D391 PolarHBondContact O-N 3.32Å; G386-D391 WeakPolarHBondContact CA-OD2 3.3Å; D388-D391 PolarHBondContact O-N 3.43Å; V389-D391 PolarHBondContact O-N 3.32Å
392V98.6Very high97.6Very high7 Ų735.6 Ų35.64%0.04220%0.195CC..SBendtrans-71159.3-172.7-63.80000112.8F83 V194 R197 V198 L384F83-V392 HydrophobicContact CE1-CG2 4.17Å; F83-V392 HydrophobicContact CE2-CG1 4.34Å; F83-V392 HydrophobicContact CZ-CB 4.33Å; F83-V392 HydrophobicContact CZ-CG1 3.83Å; F83-V392 HydrophobicContact CZ-CG2 4.16Å; V194-V392 HydrophobicContact CB-CG2 4.3Å; V194-V392 HydrophobicContact CG1-CB 3.96Å; V194-V392 HydrophobicContact CG1-CG2 3.88Å; V194-V392 HydrophobicContact CG2-CB 4.17Å; V194-V392 HydrophobicContact CG2-CG2 4.09Å; R197-V392 HydrophobicContact CB-CG2 3.82Å; R197-V392 HydrophobicContact CG-CG2 4.47Å; V198-V392 WeakPolarHBondContact CG2-O 3.24Å; L384-V392 WeakPolarHBondContact CD1-O 3.29Å
393G98.1Very high97.5Very high4 Ų437.2 Ų37.24%0.04121%0.207CC..  trans9310168.800000115.3Y395 R415G393-Y395 VanDerWaalsContact C-N 3.28Å; G393-Y395 PolarHBondContact O-N 2.86Å; G393-R415 WeakPolarHBondContact O-CD 3.45Å; G393-R415 PolarHBondContact O-NH1 3.47Å
394G98.2Very high97.5Very high1 Ų142.4 Ų42.41%0.0124%0.243CC..SBendtrans-60.8-34.6174.300000114R412 T413G394-R412 VanDerWaalsContact CA-O 3.29Å; G394-R412 WeakPolarHBondContact CA-O 3.38Å; G394-T413 WeakPolarHBondContact O-CA 3.34Å; G394-T413 PolarHBondContact O-OG1 3.39Å
395Y98.2Very high97.4Very high28 Ų2846.2 Ų46.211%0.1126%0.263CS..SBendtrans-135.792.9175.2-65.6-77.8000111.8T165 G393 T399 P400 R402 L411 R412 T413 A414T165-Y395 WeakPolarHBondContact CG2-O 3.36Å; G393-Y395 VanDerWaalsContact C-N 3.28Å; G393-Y395 PolarHBondContact O-N 2.86Å; Y395-T399 WeakPolarHBondContact CA-OG1 3.21Å; Y395-P400 WeakPolarHBondContact CD1-O 3.32Å; Y395-P400 WeakPolarHBondContact CE1-O 3.14Å; Y395-R402 HydrophobicContact CD1-CB 4.11Å; Y395-R402 VanDerWaalsContact CE1-CA 3.42Å; Y395-R402 HydrophobicContact CE1-CB 3.58Å; Y395-R402 HydrophobicContact CE1-CG 4.28Å; Y395-R402 HydrophobicContact CE2-CB 4.27Å; Y395-R402 HydrophobicContact CE2-CG 4.27Å; Y395-L411 WeakPolarHBondContact CE2-O 3.42Å; Y395-L411 PolarHBondContact OH-O 3.25Å; Y395-L411 VanDerWaalsContact OH-O 3.1Å; Y395-R412 WeakPolarHBondContact CD2-O 3.5Å; Y395-R412 VanDerWaalsContact CE2-C 3.41Å; Y395-R412 VanDerWaalsContact CE2-O 3.28Å; Y395-R412 WeakPolarHBondContact CE2-O 3.37Å; Y395-T413 PolarHBondContact OH-O 2.72Å; Y395-A414 HydrophobicContact CE1-CB 3.66Å
396L95.5Very high97.4Very high18 Ų1849.3 Ų49.39%0.09428%0.283CS..  trans-99.1166.8166.5-63.9176000110.5V194 D398 T399V194-L396 HydrophobicContact CB-CD2 4.31Å; V194-L396 HydrophobicContact CG1-CD1 4.07Å; V194-L396 HydrophobicContact CG1-CD2 3.82Å; V194-L396 HydrophobicContact CG1-CG 4.25Å; L396-D398 WeakPolarHBondContact CB-OD1 3.34Å; L396-D398 PolarHBondContact O-N 3.33Å; L396-D398 VanDerWaalsContact O-N 3.09Å; L396-T399 HydrophobicContact CB-CG2 4.02Å; L396-T399 PolarHBondContact N-OG1 2.91Å; L396-T399 PolarHBondContact O-N 3.48Å; L396-T399 PolarHBondContact O-OG1 3.19Å
397N91.9Very high97.3Very high172 Ų17249.4 Ų49.492%0.9228%0.284SS*.THydrogen-bonded Turntrans-59.2-22.8-179.3-70.1-12.5000114.1
398D93.5Very high97.2Very high104 Ų10449.6 Ų49.656%0.55629%0.285SS*.THydrogen-bonded Turntrans-99.59.6178.761.3-31.2000113.3H191 L396H191-D398 IonicContact CD2-OD1 2.75Å; H191-D398 IonicContact CE1-OD1 3.22Å; H191-D398 IonicContact CE1-OD2 2.99Å; H191-D398 VanDerWaalsContact NE2-CG 3.34Å; H191-D398 IonicContact NE2-OD1 3.91Å; H191-D398 PolarHBondContact NE2-OD1 3.01Å; H191-D398 IonicContact NE2-OD2 3.73Å; H191-D398 PolarHBondContact NE2-OD2 3.18Å; L396-D398 WeakPolarHBondContact CB-OD1 3.34Å; L396-D398 PolarHBondContact O-N 3.33Å; L396-D398 VanDerWaalsContact O-N 3.09Å
399T95.7Very high97.2Very high17 Ų1752.6 Ų52.610%0.10430%0.296CS..SBendtrans-107.7159.6175.764.60000111.5Y395 L396 S401 R415Y395-T399 WeakPolarHBondContact CA-OG1 3.21Å; L396-T399 HydrophobicContact CB-CG2 4.02Å; L396-T399 PolarHBondContact N-OG1 2.91Å; L396-T399 PolarHBondContact O-N 3.48Å; L396-T399 PolarHBondContact O-OG1 3.19Å; T399-S401 PolarHBondContact O-N 3.19Å; T399-R415 HydrophobicContact CG2-CG 3.73Å; T399-R415 VanDerWaalsContact CG2-CZ 3.43Å
400P96.9Very high97.2Very high68 Ų6855 Ų5544%0.44231%0.308SS..PPolyproline II helixtrans-56.9139.3175-26.437000112.6Y395 A414Y395-P400 WeakPolarHBondContact CD1-O 3.32Å; Y395-P400 WeakPolarHBondContact CE1-O 3.14Å; P400-A414 HydrophobicContact CB-CB 4.07Å; P400-A414 WeakPolarHBondContact CB-O 3.31Å; P400-A414 VanDerWaalsContact CG-O 3.3Å; P400-A414 WeakPolarHBondContact CG-O 3.45Å
401S96.6Very high97.2Very high109 Ų10952.7 Ų52.776%0.76230%0.298SS*.PPolyproline II helixtrans-65.4147.8179.7-60.40000112.4T399 S403T399-S401 PolarHBondContact O-N 3.19Å; S401-S403 PolarHBondContact O-N 3.34Å
402R97.8Very high97.2Very high93 Ų9355.2 Ų55.235%0.35131%0.307SS..PPolyproline II helixtrans-60.6131.4173.6-172.8-174.8-69.9-86.41.6110.9T165 Y395 K409 L411T165-R402 PolarHBondContact O-NH2 3.49Å; Y395-R402 HydrophobicContact CD1-CB 4.11Å; Y395-R402 VanDerWaalsContact CE1-CA 3.42Å; Y395-R402 HydrophobicContact CE1-CB 3.58Å; Y395-R402 HydrophobicContact CE1-CG 4.28Å; Y395-R402 HydrophobicContact CE2-CB 4.27Å; Y395-R402 HydrophobicContact CE2-CG 4.27Å; R402-K409 WeakPolarHBondContact CD-O 3.23Å; R402-K409 PolarHBondContact NH1-O 2.8Å; R402-L411 PolarHBondContact NH1-O 3Å
403S97.8Very high97.2Very high36 Ų3655 Ų5525%0.25231%0.305SS..PPolyproline II helixtrans-66.5151.3174.8-178.80000111.6S401 L405 K409S401-S403 PolarHBondContact O-N 3.34Å; S403-L405 PolarHBondContact OG-N 3.04Å; S403-K409 WeakPolarHBondContact O-CA 3.49Å; S403-K409 VanDerWaalsContact O-CB 3.22Å; S403-K409 WeakPolarHBondContact O-CB 3.38Å
404S97.7Very high97.2Very high111 Ų11154.9 Ų54.978%0.77630%0.304SS*.  trans-95.3-6.2171.859.60000113.5
405L98.1Very high97.2Very high83 Ų8356.1 Ų56.144%0.43531%0.309SS..SBendtrans-72.9149.7-175.5-63.1175.6000112.1S403 L408 K409S403-L405 PolarHBondContact OG-N 3.04Å; L405-L408 HydrophobicContact CB-CB 4.43Å; L405-L408 HydrophobicContact CB-CD1 4.22Å; L405-L408 HydrophobicContact CD1-CD1 4.11Å; L405-L408 PolarHBondContact O-N 3.27Å; L405-K409 WeakPolarHBondContact O-CB 3.46Å; L405-K409 WeakPolarHBondContact O-CG 3.47Å; L405-K409 PolarHBondContact O-N 3.02Å
406P97.7Very high97.2Very high65 Ų6559 Ų5942%0.42233%0.325SS..THydrogen-bonded Turntrans-52.4140.5173.5-26.234.3000112.8R371 A374 L408R371-P406 HydrophobicContact CB-CB 4.31Å; R371-P406 HydrophobicContact CB-CG 4.44Å; R371-P406 PolarHBondContact NE-O 2.64Å; R371-P406 VanDerWaalsContact NE-O 3.12Å; R371-P406 PolarHBondContact NH2-O 2.84Å; A374-P406 VanDerWaalsContact CB-C 3.45Å; A374-P406 HydrophobicContact CB-CB 3.62Å; P406-L408 PolarHBondContact O-N 2.98Å
407G96.3Very high97.4Very high3 Ų358.3 Ų58.33%0.03132%0.322CS..THydrogen-bonded Turntrans77.8-65.8-171.400000111.4K409 N410G407-K409 VanDerWaalsContact C-N 3.27Å; G407-K409 PolarHBondContact O-N 3.21Å; G407-K409 VanDerWaalsContact O-N 3.15Å; G407-N410 WeakPolarHBondContact O-CB 3.46Å; G407-N410 PolarHBondContact O-N 2.98Å
408L98.4Very high97.7Very high5 Ų554.5 Ų54.53%0.02630%0.299CS..G310 helixtrans-57.9-33.5-175.6-59.1-178.2000114.4V340 H343 Q344 L405 P406 N410 L411V340-L408 HydrophobicContact CG1-CD1 4.17Å; V340-L408 HydrophobicContact CG1-CD2 4.05Å; H343-L408 HydrophobicContact CB-CD2 4.29Å; H343-L408 WeakPolarHBondContact CD2-CD2 3.47Å; Q344-L408 HydrophobicContact CG-CD2 4.22Å; L405-L408 HydrophobicContact CB-CB 4.43Å; L405-L408 HydrophobicContact CB-CD1 4.22Å; L405-L408 HydrophobicContact CD1-CD1 4.11Å; L405-L408 PolarHBondContact O-N 3.27Å; P406-L408 PolarHBondContact O-N 2.98Å; L408-N410 PolarHBondContact O-N 3.34Å; L408-L411 HydrophobicContact CB-CD1 4.47Å; L408-L411 HydrophobicContact CD2-CD1 3.93Å; L408-L411 WeakPolarHBondContact O-CB 3.38Å; L408-L411 PolarHBondContact O-N 2.79Å; L408-L411 VanDerWaalsContact O-N 3.14Å
409K98.4Very high98Very high105 Ų10550.4 Ų50.446%0.45728%0.279SS..G310 helixtrans-60.6-23.5176.568.7179-173.3174.90113.8R402 S403 L405 G407R402-K409 WeakPolarHBondContact CD-O 3.23Å; R402-K409 PolarHBondContact NH1-O 2.8Å; S403-K409 WeakPolarHBondContact O-CA 3.49Å; S403-K409 VanDerWaalsContact O-CB 3.22Å; S403-K409 WeakPolarHBondContact O-CB 3.38Å; L405-K409 WeakPolarHBondContact O-CB 3.46Å; L405-K409 WeakPolarHBondContact O-CG 3.47Å; L405-K409 PolarHBondContact O-N 3.02Å; G407-K409 VanDerWaalsContact C-N 3.27Å; G407-K409 PolarHBondContact O-N 3.21Å; G407-K409 VanDerWaalsContact O-N 3.15Å
410N98.4Very high98.1Very high72 Ų7251.8 Ų51.839%0.38529%0.285SS..G310 helixtrans-93.4-0.4-178.6-62.1-33.3000112.9P378 G407 L408P378-N410 PolarHBondContact O-ND2 2.81Å; G407-N410 WeakPolarHBondContact O-CB 3.46Å; G407-N410 PolarHBondContact O-N 2.98Å; L408-N410 PolarHBondContact O-N 3.34Å
411L98.8Very high98.2Very high1 Ų148.6 Ų48.61%0.00527%0.265CS..  trans-61.1135169.4-75.1168.8000110.4V340 H343 L381 Y395 R402 L408 T413V340-L411 HydrophobicContact CG2-CD1 4.14Å; H343-L411 HydrophobicContact CB-CD1 4.11Å; H343-L411 HydrophobicContact CB-CD2 3.94Å; H343-L411 HydrophobicContact CB-CG 4.49Å; L381-L411 HydrophobicContact CB-CD2 4.19Å; Y395-L411 WeakPolarHBondContact CE2-O 3.42Å; Y395-L411 PolarHBondContact OH-O 3.25Å; Y395-L411 VanDerWaalsContact OH-O 3.1Å; R402-L411 PolarHBondContact NH1-O 3Å; L408-L411 HydrophobicContact CB-CD1 4.47Å; L408-L411 HydrophobicContact CD2-CD1 3.93Å; L408-L411 WeakPolarHBondContact O-CB 3.38Å; L408-L411 PolarHBondContact O-N 2.79Å; L408-L411 VanDerWaalsContact O-N 3.14Å; L411-T413 VanDerWaalsContact C-N 3.29Å; L411-T413 WeakPolarHBondContact CB-O 3.26Å
412R98.7Very high98.3Very high57 Ų5743.4 Ų43.422%0.21523%0.228CC..SBendtrans-84.1-7.1177.5-56.1-166-178.7-81.23.7113.3D166 H383 H390 G394 Y395D166-R412 VanDerWaalsContact OD1-CD 3.31Å; D166-R412 WeakPolarHBondContact OD1-CD 3.48Å; D166-R412 WeakPolarHBondContact OD1-CG 3.23Å; D166-R412 IonicContact OD1-CZ 3.92Å; D166-R412 IonicContact OD1-NE 3.73Å; D166-R412 IonicContact OD1-NH1 3.48Å; D166-R412 PolarHBondContact OD1-NH1 3.25Å; H383-R412 HydrophobicContact CB-CB 3.65Å; H383-R412 HydrophobicContact CB-CG 3.96Å; H390-R412 WeakPolarHBondContact CD2-CD 3.48Å; H390-R412 PolarHBondContact CD2-NE 3.36Å; H390-R412 VanDerWaalsContact CE1-CZ 3.44Å; H390-R412 PolarHBondContact CE1-NE 2.89Å; H390-R412 PolarHBondContact CE1-NH2 3.03Å; H390-R412 PolarHBondContact NE2-NE 2.93Å; H390-R412 PolarHBondContact NE2-NH2 2.79Å; G394-R412 VanDerWaalsContact CA-O 3.29Å; G394-R412 WeakPolarHBondContact CA-O 3.38Å; Y395-R412 WeakPolarHBondContact CD2-O 3.5Å; Y395-R412 VanDerWaalsContact CE2-C 3.41Å; Y395-R412 VanDerWaalsContact CE2-O 3.28Å; Y395-R412 WeakPolarHBondContact CE2-O 3.37Å
413T98.7Very high98.4Very high2 Ų239 Ų391%0.01221%0.212CC..  trans-149.3154.9169.8-171.70000111.2W339 G394 Y395 L411 R415 M423W339-T413 HydrophobicContact CB-CG2 4.4Å; W339-T413 VanDerWaalsContact CD1-CG2 3.47Å; W339-T413 VanDerWaalsContact CD1-O 3.3Å; W339-T413 HydrophobicContact CD2-CG2 4.46Å; W339-T413 HydrophobicContact CG-CG2 3.87Å; G394-T413 WeakPolarHBondContact O-CA 3.34Å; G394-T413 PolarHBondContact O-OG1 3.39Å; Y395-T413 PolarHBondContact OH-O 2.72Å; L411-T413 VanDerWaalsContact C-N 3.29Å; L411-T413 WeakPolarHBondContact CB-O 3.26Å; T413-R415 WeakPolarHBondContact OG1-CB 3.3Å; T413-R415 WeakPolarHBondContact OG1-CD 3.28Å; T413-R415 WeakPolarHBondContact OG1-CG 3.32Å; T413-R415 PolarHBondContact OG1-N 3.26Å; T413-M423 HydrophobicContact CG2-CE 3.77Å
414A98.5Very high98.4Very high3 Ų337.3 Ų37.33%0.02520%0.2CC..  trans-122.521.4167.800000111.4V340 Y395 P400V340-A414 HydrophobicContact CG2-CB 3.73Å; Y395-A414 HydrophobicContact CE1-CB 3.66Å; P400-A414 HydrophobicContact CB-CB 4.07Å; P400-A414 WeakPolarHBondContact CB-O 3.31Å; P400-A414 VanDerWaalsContact CG-O 3.3Å; P400-A414 WeakPolarHBondContact CG-O 3.45Å
415R98.4Very high98.5Very high27 Ų2732 Ų3210%0.10216%0.163CC..PPolyproline II helixtrans-71.1156.6-176-67.9175.184.1116.69.9111.4W339 G393 T399 T413W339-R415 WeakPolarHBondContact CB-O 3.21Å; W339-R415 PolarHBondContact N-O 3.36Å; G393-R415 WeakPolarHBondContact O-CD 3.45Å; G393-R415 PolarHBondContact O-NH1 3.47Å; T399-R415 HydrophobicContact CG2-CG 3.73Å; T399-R415 VanDerWaalsContact CG2-CZ 3.43Å; T413-R415 WeakPolarHBondContact OG1-CB 3.3Å; T413-R415 WeakPolarHBondContact OG1-CD 3.28Å; T413-R415 WeakPolarHBondContact OG1-CG 3.32Å; T413-R415 PolarHBondContact OG1-N 3.26Å
416L98.4Very high98.5Very high88 Ų8829.1 Ų29.146%0.46115%0.147SC..BIsolated β-bridgetrans-73.8138155.5-57-176.9000108.5A337 D338A337-L416 CarbonylContact O-C 3.46Å; A337-L416 WeakPolarHBondContact O-CA 3.34Å; D338-L416 HydrophobicContact CB-CD2 3.69Å
417L98.7Very high98.6Very high3 Ų326 Ų262%0.01613%0.127CC..PPolyproline II helixtrans-66.9144.8179.4-63.1-171.9000111.2I333 P335 G336 A337 W339 L342 M421 M423 V471I333-L417 HydrophobicContact CB-CD1 4.46Å; I333-L417 HydrophobicContact CG1-CD1 4.3Å; I333-L417 HydrophobicContact CG2-CD1 3.82Å; P335-L417 CarbonylContact C-O 3.54Å; P335-L417 WeakPolarHBondContact CA-O 3.1Å; G336-L417 PolarHBondContact N-O 3.29Å; A337-L417 HydrophobicContact CB-CD1 4.2Å; A337-L417 HydrophobicContact CB-CG 4.42Å; A337-L417 PolarHBondContact O-N 2.9Å; W339-L417 HydrophobicContact CE3-CD1 4.07Å; W339-L417 HydrophobicContact CE3-CD2 3.76Å; W339-L417 HydrophobicContact CE3-CG 4.23Å; W339-L417 HydrophobicContact CZ3-CD1 4.15Å; W339-L417 HydrophobicContact CZ3-CD2 4.26Å; L342-L417 HydrophobicContact CD1-CD1 4.04Å; L417-M421 HydrophobicContact CD2-SD 4.34Å; L417-M423 HydrophobicContact CD2-CE 4.35Å; L417-M423 HydrophobicContact CD2-CG 4.1Å; L417-M423 HydrophobicContact CD2-SD 4.29Å; L417-V471 HydrophobicContact CB-CG1 4.34Å; L417-V471 HydrophobicContact CB-CG2 4.25Å; L417-V471 HydrophobicContact CD1-CG2 4.08Å
418Q98.7Very high98.7Very high93 Ų9325.9 Ų25.944%0.43513%0.126SC..  trans-131.6151.8177-63179-14.500108.8I199 M421 V471I199-Q418 HydrophobicContact CD1-CB 4.11Å; Q418-M421 HydrophobicContact CB-CE 3.87Å; Q418-M421 HydrophobicContact CB-CG 4.31Å; Q418-M421 HydrophobicContact CB-SD 4.13Å; Q418-M421 HydrophobicContact CG-CE 3.9Å; Q418-M421 PolarHBondContact N-SD 3.01Å; Q418-M421 VanDerWaalsContact N-SD 3.37Å; Q418-M421 WeakPolarHBondContact O-CB 3.32Å; Q418-M421 WeakPolarHBondContact O-CG 3.49Å; Q418-M421 PolarHBondContact O-N 3.35Å; Q418-M421 VanDerWaalsContact O-N 3.14Å; Q418-V471 VanDerWaalsContact O-CB 3.32Å; Q418-V471 WeakPolarHBondContact O-CB 3.41Å; Q418-V471 WeakPolarHBondContact O-CG1 3.14Å
419A98.7Very high98.7Very high17 Ų1725.7 Ų25.714%0.1413%0.125CC..THydrogen-bonded Turntrans-53.2143.5174.600000111.1P335 M421 V471 E473P335-A419 HydrophobicContact CG-CB 4.41Å; A419-M421 PolarHBondContact O-N 2.94Å; A419-V471 CarbonylContact C-O 3.48Å; A419-V471 WeakPolarHBondContact CA-O 3.47Å; A419-E473 WeakPolarHBondContact CB-OE1 3.35Å
420N98.8Very high98.7Very high46 Ų4620.7 Ų20.725%0.24610%0.103CC..THydrogen-bonded Turntrans63.211.7-175.4-55.1-23.9000116I199 K200 V471I199-N420 HydrophobicContact CG2-CB 3.87Å; K200-N420 PolarHBondContact N-O 3.49Å; K200-N420 WeakPolarHBondContact O-CB 3.34Å; N420-V471 PolarHBondContact N-O 2.81Å
421M98.9Very high98.7Very high1 Ų117.5 Ų17.51%0.0059%0.086CC..  trans-68.2136.8156.4-71.9-179.3174.600109V198 I199 L384 L417 Q418 A419 V471V198-M421 HydrophobicContact CG1-CE 3.53Å; V198-M421 HydrophobicContact CG1-CG 4Å; V198-M421 HydrophobicContact CG1-SD 4.42Å; I199-M421 HydrophobicContact CD1-CE 4.24Å; I199-M421 HydrophobicContact CD1-CG 3.85Å; L384-M421 HydrophobicContact CD2-CB 4.32Å; L384-M421 HydrophobicContact CD2-CG 4.26Å; L384-M421 HydrophobicContact CD2-SD 4.45Å; L417-M421 HydrophobicContact CD2-SD 4.34Å; Q418-M421 HydrophobicContact CB-CE 3.87Å; Q418-M421 HydrophobicContact CB-CG 4.31Å; Q418-M421 HydrophobicContact CB-SD 4.13Å; Q418-M421 HydrophobicContact CG-CE 3.9Å; Q418-M421 PolarHBondContact N-SD 3.01Å; Q418-M421 VanDerWaalsContact N-SD 3.37Å; Q418-M421 WeakPolarHBondContact O-CB 3.32Å; Q418-M421 WeakPolarHBondContact O-CG 3.49Å; Q418-M421 PolarHBondContact O-N 3.35Å; Q418-M421 VanDerWaalsContact O-N 3.14Å; A419-M421 PolarHBondContact O-N 2.94Å; M421-V471 HydrophobicContact CB-CG2 4.16Å; M421-V471 PolarHBondContact O-N 3.42Å
422V98.9Very high98.7Very high0 Ų019.1 Ų19.10%09%0.094CC..EExtended strand (participates in β ladder)trans-106.1126170.2-176.20000107.6K200 L205 I208 L384 L385 I469 I470 L479K200-V422 HydrophobicContact CB-CG2 4.41Å; K200-V422 HydrophobicContact CD-CG2 3.96Å; K200-V422 HydrophobicContact CG-CG2 3.91Å; L205-V422 HydrophobicContact CD2-CG2 3.56Å; I208-V422 HydrophobicContact CD1-CG2 3.98Å; I208-V422 HydrophobicContact CG2-CG1 4.08Å; L384-V422 WeakPolarHBondContact CA-O 3.4Å; L385-V422 HydrophobicContact CB-CG1 4.01Å; L385-V422 HydrophobicContact CD2-CG1 4.13Å; L385-V422 HydrophobicContact CG-CG1 4.38Å; L385-V422 PolarHBondContact N-O 3.45Å; L385-V422 WeakPolarHBondContact O-CB 3.46Å; V422-I469 CarbonylContact C-O 3.57Å; V422-I469 VanDerWaalsContact CA-O 3.25Å; V422-I469 WeakPolarHBondContact CA-O 3.37Å; V422-I469 WeakPolarHBondContact CG1-O 3.4Å; V422-I470 HydrophobicContact CG2-CG1 4.23Å; V422-L479 HydrophobicContact CG1-CD1 4.45Å
423M98.9Very high98.7Very high1 Ų119.7 Ų19.71%0.00510%0.099CC..EExtended strand (participates in β ladder)trans-126.7147.6-174.3-59.1-62.3-66.400111.1W339 H383 L384 T413 L417 N468 I469 V471W339-M423 HydrophobicContact CD2-CE 3.78Å; W339-M423 HydrophobicContact CE3-CE 3.95Å; W339-M423 HydrophobicContact CG-CE 4.49Å; W339-M423 HydrophobicContact CH2-CB 4.11Å; W339-M423 HydrophobicContact CH2-CE 3.78Å; W339-M423 HydrophobicContact CZ2-CE 3.58Å; W339-M423 HydrophobicContact CZ3-CB 4.42Å; W339-M423 HydrophobicContact CZ3-CE 3.96Å; W339-M423 HydrophobicContact CZ3-CG 4.41Å; H383-M423 CarbonylContact O-C 3.55Å; H383-M423 VanDerWaalsContact O-CA 3.26Å; H383-M423 WeakPolarHBondContact O-CA 3.22Å; L384-M423 HydrophobicContact CB-SD 4.46Å; L384-M423 HydrophobicContact CD2-SD 3.49Å; L384-M423 WeakPolarHBondContact CD2-SD 3.35Å; L384-M423 HydrophobicContact CG-SD 3.86Å; T413-M423 HydrophobicContact CG2-CE 3.77Å; L417-M423 HydrophobicContact CD2-CE 4.35Å; L417-M423 HydrophobicContact CD2-CG 4.1Å; L417-M423 HydrophobicContact CD2-SD 4.29Å; M423-N468 WeakPolarHBondContact O-CA 3.47Å; M423-I469 HydrophobicContact CB-CD1 3.78Å; M423-I469 HydrophobicContact CB-CG1 4.07Å; M423-I469 HydrophobicContact CG-CD1 4.15Å; M423-I469 PolarHBondContact N-O 2.75Å; M423-I469 PolarHBondContact O-N 3.22Å; M423-V471 HydrophobicContact CG-CG2 4.46Å
424T98.9Very high98.6Very high0 Ų029.4 Ų29.40%014%0.135CC..EExtended strand (participates in β ladder)trans-83.2143.9157.365.80000109.9D300 W339 G382 H383 L385 E466 D467D300-T424 HydrophobicContact CB-CG2 3.94Å; W339-T424 VanDerWaalsContact CH2-O 3.27Å; W339-T424 WeakPolarHBondContact CH2-O 3.2Å; W339-T424 WeakPolarHBondContact CZ2-O 3.15Å; G382-T424 WeakPolarHBondContact CA-O 3.27Å; G382-T424 VanDerWaalsContact CA-OG1 3.25Å; G382-T424 WeakPolarHBondContact CA-OG1 3.45Å; H383-T424 PolarHBondContact CD2-OG1 3.49Å; H383-T424 WeakPolarHBondContact CE1-CG2 3.48Å; H383-T424 PolarHBondContact N-OG1 3.24Å; H383-T424 PolarHBondContact NE2-OG1 2.82Å; H383-T424 PolarHBondContact O-N 3.11Å; L385-T424 HydrophobicContact CB-CG2 4.43Å; T424-E466 WeakPolarHBondContact CB-OE1 3.24Å; T424-E466 WeakPolarHBondContact CG2-OE1 3.32Å; T424-D467 CarbonylContact C-O 3.57Å; T424-D467 WeakPolarHBondContact CA-O 3.47Å
425V98.9Very high98.6Very high0 Ų030.9 Ų30.90%014%0.143CC..EExtended strand (participates in β ladder)trans-123.997.1170.5179.20000106.5V329 L330 I333 W339 P427 E466 D467 I469V329-V425 HydrophobicContact CB-CG1 4.13Å; V329-V425 HydrophobicContact CG1-CG1 3.64Å; V329-V425 HydrophobicContact CG1-CG2 4.4Å; L330-V425 HydrophobicContact CD2-CB 4.37Å; L330-V425 HydrophobicContact CD2-CG1 4.44Å; L330-V425 HydrophobicContact CD2-CG2 4.04Å; L330-V425 HydrophobicContact CG-CG1 4.36Å; I333-V425 HydrophobicContact CD1-CG2 3.53Å; W339-V425 HydrophobicContact CH2-CG2 4.23Å; V425-P427 VanDerWaalsContact C-CD 3.45Å; V425-E466 VanDerWaalsContact O-CA 3.3Å; V425-E466 WeakPolarHBondContact O-CA 3.42Å; V425-D467 PolarHBondContact N-O 2.98Å; V425-D467 PolarHBondContact O-N 3.22Å; V425-I469 HydrophobicContact CG2-CG1 4.09Å; V425-I469 HydrophobicContact CG2-CG2 4.49Å
426E98.9Very high98.6Very high23 Ų2329.8 Ų29.811%0.10714%0.139CC..  trans-126.444.6-163.758.1160.3144.100114H379 L381 G382 H383 G428 R464 I465 E466H379-E426 PolarHBondContact CE1-O 3.46Å; H379-E426 IonicContact CE1-OE2 3.38Å; H379-E426 IonicContact ND1-OE2 3.13Å; L381-E426 WeakPolarHBondContact O-CG 3.34Å; L381-E426 PolarHBondContact O-N 3.36Å; G382-E426 WeakPolarHBondContact CA-OE1 3.43Å; H383-E426 IonicContact CD2-OE1 2.75Å; H383-E426 PolarHBondContact CD2-OE1 2.97Å; H383-E426 IonicContact NE2-OE1 3.12Å; E426-G428 PolarHBondContact O-N 3.09Å; E426-R464 HydrophobicContact CB-CG 4.39Å; E426-I465 CarbonylContact C-O 3.49Å; E426-I465 VanDerWaalsContact CA-O 3.3Å; E426-I465 WeakPolarHBondContact CA-O 3.1Å; E426-E466 HydrophobicContact CB-CB 3.57Å; E426-E466 HydrophobicContact CB-CG 3.66Å
427P98.9Very high98.5Very high0 Ų028.8 Ų28.80%013%0.134CC..  trans-56.1149.2178.827.9-35.2000111.3V322 A325 A346 M377 L381 V425 I465V322-P427 HydrophobicContact CG1-CB 4.44Å; V322-P427 HydrophobicContact CG1-CG 4.3Å; V322-P427 WeakPolarHBondContact CG1-O 3.41Å; A325-P427 HydrophobicContact CB-CB 4.02Å; A325-P427 HydrophobicContact CB-CG 4.27Å; A346-P427 HydrophobicContact CB-CB 4.18Å; M377-P427 HydrophobicContact SD-CB 4.09Å; L381-P427 HydrophobicContact CD1-CB 4.03Å; L381-P427 HydrophobicContact CD1-CG 4.38Å; V425-P427 VanDerWaalsContact C-CD 3.45Å; P427-I465 WeakPolarHBondContact CD-O 3.37Å; P427-I465 PolarHBondContact O-N 2.91Å
428G98.9Very high98.4Very high0 Ų034 Ų340%016%0.159CC..EExtended strand (participates in β ladder)trans-150.9151.6179.100000113I350 M377 E426 V463I350-G428 WeakPolarHBondContact CD1-O 3.24Å; M377-G428 WeakPolarHBondContact CB-O 3.32Å; M377-G428 VanDerWaalsContact CG-O 3.24Å; M377-G428 WeakPolarHBondContact CG-O 3.39Å; E426-G428 PolarHBondContact O-N 3.09Å; G428-V463 CarbonylContact C-O 3.59Å; G428-V463 WeakPolarHBondContact CA-O 3.46Å
429C98.9Very high98.4Very high0 Ų029.6 Ų29.60%014%0.138CC..EExtended strand (participates in β ladder)trans-126.6114.4177.1-177.40000109.1I318 V322 I350 F376 G462 V463I318-C429 HydrophobicContact CG2-CB 4.04Å; V322-C429 HydrophobicContact CG2-CB 3.52Å; I350-C429 HydrophobicContact CG2-CB 4.18Å; F376-C429 CarbonylContact O-C 3.58Å; F376-C429 WeakPolarHBondContact O-CA 3.43Å; C429-G462 CarbonylContact O-C 3.58Å; C429-G462 WeakPolarHBondContact O-CA 3.5Å; C429-V463 PolarHBondContact N-O 2.91Å; C429-V463 PolarHBondContact O-N 3.13Å
430Y98.8Very high98.4Very high1 Ų129.3 Ų29.30%0.00413%0.134CC..EExtended strand (participates in β ladder)trans-124146.9-174.6-42-92.1000111.5C264 L267 L287 F376 H379 I432 R464C264-Y430 VanDerWaalsContact O-CD1 3.3Å; C264-Y430 WeakPolarHBondContact O-CD1 3.27Å; L267-Y430 HydrophobicContact CD2-CD1 4.01Å; L267-Y430 HydrophobicContact CD2-CD2 4.06Å; L267-Y430 HydrophobicContact CD2-CE1 3.69Å; L267-Y430 HydrophobicContact CD2-CE2 3.8Å; L267-Y430 HydrophobicContact CD2-CG 4.18Å; L287-Y430 HydrophobicContact CD1-CE1 3.96Å; F376-Y430 VanDerWaalsContact O-CD2 3.23Å; F376-Y430 WeakPolarHBondContact O-CD2 3.23Å; F376-Y430 PolarHBondContact O-N 2.7Å; H379-Y430 AromaticContact CD2-CE2 3.43Å; H379-Y430 VanDerWaalsContact CD2-CE2 3.43Å; H379-Y430 WeakPolarHBondContact CD2-CE2 3.1Å; H379-Y430 AromaticContact CD2-CZ 3.81Å; H379-Y430 PolarHBondContact CD2-OH 3.4Å; H379-Y430 AromaticContact NE2-CE2 3.14Å; H379-Y430 WeakPolarHBondContact NE2-CE2 3.5Å; H379-Y430 AromaticContact NE2-CZ 3.38Å; H379-Y430 PolarHBondContact NE2-OH 3.39Å; Y430-I432 HydrophobicContact CG-CD1 4.49Å; Y430-R464 HydrophobicContact CE1-CB 4.49Å; Y430-R464 WeakPolarHBondContact OH-CB 3.42Å; Y430-R464 WeakPolarHBondContact OH-CD 3.44Å; Y430-R464 PolarHBondContact OH-NH1 3.24Å
431F98.5Very high98.3Very high4 Ų431.9 Ų31.92%0.01816%0.155CC..  trans-104.769.8173.3-66-90.3000109.5I318 L359 F376 E433 I454 F457 F460 G461I318-F431 HydrophobicContact CD1-CE2 3.65Å; I318-F431 HydrophobicContact CD1-CZ 3.59Å; I318-F431 HydrophobicContact CG1-CE2 3.9Å; I318-F431 HydrophobicContact CG1-CZ 4.3Å; I318-F431 HydrophobicContact CG2-CE2 4.26Å; L359-F431 HydrophobicContact CD2-CE1 4.11Å; L359-F431 HydrophobicContact CD2-CZ 3.91Å; F376-F431 HydrophobicContact CD1-CE1 4.49Å; F376-F431 HydrophobicContact CE1-CD1 4.39Å; F376-F431 HydrophobicContact CE1-CE1 4.03Å; F431-E433 PolarHBondContact O-N 3.26Å; F431-I454 HydrophobicContact CD1-CG1 4.39Å; F431-I454 HydrophobicContact CE1-CD1 4.48Å; F431-I454 HydrophobicContact CE1-CG1 4.05Å; F431-F457 WeakPolarHBondContact CB-O 3.38Å; F431-F457 HydrophobicContact CD1-CB 3.55Å; F431-F457 HydrophobicContact CD2-CB 4.13Å; F431-F457 HydrophobicContact CE1-CB 3.42Å; F431-F457 VanDerWaalsContact CE1-CB 3.42Å; F431-F457 HydrophobicContact CE1-CD1 4.41Å; F431-F457 AromaticContact CE1-CG 3.98Å; F431-F457 HydrophobicContact CE1-CG 3.98Å; F431-F457 HydrophobicContact CE2-CB 4.02Å; F431-F457 AromaticContact CE2-CD1 3.87Å; F431-F457 HydrophobicContact CE2-CD1 3.87Å; F431-F457 HydrophobicContact CE2-CG 4.24Å; F431-F457 HydrophobicContact CG-CB 3.91Å; F431-F457 HydrophobicContact CZ-CB 3.67Å; F431-F457 AromaticContact CZ-CD1 3.79Å; F431-F457 HydrophobicContact CZ-CD1 3.79Å; F431-F457 AromaticContact CZ-CG 3.8Å; F431-F457 HydrophobicContact CZ-CG 3.8Å; F431-F460 HydrophobicContact CD2-CB 4.06Å; F431-F460 AromaticContact CD2-CD1 3.86Å; F431-F460 HydrophobicContact CD2-CD1 3.86Å; F431-F460 HydrophobicContact CD2-CG 4.23Å; F431-F460 HydrophobicContact CE2-CD1 4.13Å; F431-G461 PolarHBondContact N-O 2.97Å
432I98.4Very high98.3Very high35 Ų3533.3 Ų33.318%0.17917%0.166CC..  trans-78.4113.2-179-65.1161.1000109.4A265 P378 Y430 R434 L435 L436A265-I432 HydrophobicContact CB-CG1 3.97Å; A265-I432 WeakPolarHBondContact O-CG1 3.41Å; P378-I432 HydrophobicContact CG-CD1 3.72Å; Y430-I432 HydrophobicContact CG-CD1 4.49Å; I432-R434 VanDerWaalsContact C-N 3.27Å; I432-R434 HydrophobicContact CG2-CB 4.46Å; I432-R434 PolarHBondContact O-N 2.94Å; I432-R434 VanDerWaalsContact O-N 3.1Å; I432-L435 HydrophobicContact CB-CB 4.31Å; I432-L435 HydrophobicContact CB-CD1 4.17Å; I432-L435 HydrophobicContact CB-CG 4.25Å; I432-L435 HydrophobicContact CD1-CD1 3.92Å; I432-L435 HydrophobicContact CG2-CB 4.4Å; I432-L435 HydrophobicContact CG2-CD1 4.26Å; I432-L435 HydrophobicContact CG2-CG 4.02Å; I432-L435 PolarHBondContact O-N 3.34Å; I432-L436 PolarHBondContact O-N 2.98Å
433E97.4Very high98.1Very high69 Ų6940.5 Ų40.532%0.32220%0.204SC..Hα-helixtrans-45.6-47.2-176-73.2-67.5145.800113.6F431 L435 N437 R458F431-E433 PolarHBondContact O-N 3.26Å; E433-L435 PolarHBondContact O-N 3.48Å; E433-N437 VanDerWaalsContact O-CB 3.25Å; E433-N437 WeakPolarHBondContact O-CB 3.36Å; E433-N437 PolarHBondContact O-N 3.49Å; E433-N437 PolarHBondContact O-ND2 2.84Å; E433-N437 VanDerWaalsContact O-ND2 3.11Å; E433-R458 IonicContact OE1-NH1 3.6Å; E433-R458 IonicContact OE2-CZ 3.67Å; E433-R458 IonicContact OE2-NH1 3.84Å; E433-R458 PolarHBondContact OE2-NH1 3.42Å
434R97.5Very high98.1Very high206 Ų20645.5 Ų45.578%0.77723%0.23SC*.Hα-helixtrans-61-45.5179.2179.3178.3173.4173.7-0.1112.6I432 Q438I432-R434 VanDerWaalsContact C-N 3.27Å; I432-R434 HydrophobicContact CG2-CB 4.46Å; I432-R434 PolarHBondContact O-N 2.94Å; I432-R434 VanDerWaalsContact O-N 3.1Å; R434-Q438 WeakPolarHBondContact O-CB 3.18Å; R434-Q438 PolarHBondContact O-N 3.48Å; R434-Q438 VanDerWaalsContact O-N 3.08Å
435L98Very high98Very high35 Ų3546.3 Ų46.318%0.18323%0.234CC..Hα-helixtrans-74.5-39.9-177.2-62.9-179.8000111.1I375 P378 I432 E433 Q438 A439I375-L435 HydrophobicContact CD1-CB 4.44Å; I375-L435 HydrophobicContact CG2-CB 4.22Å; P378-L435 HydrophobicContact CB-CD1 3.71Å; P378-L435 HydrophobicContact CG-CD1 3.89Å; I432-L435 HydrophobicContact CB-CB 4.31Å; I432-L435 HydrophobicContact CB-CD1 4.17Å; I432-L435 HydrophobicContact CB-CG 4.25Å; I432-L435 HydrophobicContact CD1-CD1 3.92Å; I432-L435 HydrophobicContact CG2-CB 4.4Å; I432-L435 HydrophobicContact CG2-CD1 4.26Å; I432-L435 HydrophobicContact CG2-CG 4.02Å; I432-L435 PolarHBondContact O-N 3.34Å; E433-L435 PolarHBondContact O-N 3.48Å; L435-Q438 WeakPolarHBondContact O-CB 3.26Å; L435-Q438 PolarHBondContact O-N 2.84Å; L435-A439 PolarHBondContact O-N 3Å
436L97.6Very high98Very high4 Ų448.2 Ų48.22%0.02125%0.247CC..Hα-helixtrans-62.3-45.6175.6-177.558.8000111.3I432 Q438 A439 L440 I454 R458I432-L436 PolarHBondContact O-N 2.98Å; L436-Q438 VanDerWaalsContact C-N 3.34Å; L436-Q438 PolarHBondContact O-N 3.1Å; L436-A439 PolarHBondContact O-N 3.42Å; L436-L440 HydrophobicContact CD1-CD1 4.15Å; L436-L440 HydrophobicContact CD1-CG 4.28Å; L436-L440 HydrophobicContact CG-CD1 3.98Å; L436-L440 WeakPolarHBondContact O-CB 3.36Å; L436-L440 WeakPolarHBondContact O-CG 3.14Å; L436-L440 PolarHBondContact O-N 3.39Å; L436-I454 HydrophobicContact CD1-CD1 3.49Å; L436-I454 VanDerWaalsContact CD1-CD1 3.49Å; L436-I454 HydrophobicContact CD1-CG1 3.99Å; L436-I454 HydrophobicContact CD1-CG2 4.44Å; L436-R458 HydrophobicContact CD2-CG 4.16Å
437N97.9Very high97.9Very high67 Ų6752.8 Ų52.836%0.35827%0.267SS..Hα-helixtrans-62.5-40.8175.6-71.4-23.6000112E433 L440 S441 R458E433-N437 VanDerWaalsContact O-CB 3.25Å; E433-N437 WeakPolarHBondContact O-CB 3.36Å; E433-N437 PolarHBondContact O-N 3.49Å; E433-N437 PolarHBondContact O-ND2 2.84Å; E433-N437 VanDerWaalsContact O-ND2 3.11Å; N437-L440 PolarHBondContact O-N 2.84Å; N437-S441 WeakPolarHBondContact O-CB 3.26Å; N437-S441 PolarHBondContact O-N 3.41Å; N437-S441 PolarHBondContact O-OG 2.9Å; N437-R458 PolarHBondContact OD1-NH1 2.89Å; N437-R458 PolarHBondContact OD1-NH2 3.41Å
438Q97.1Very high97.9Very high113 Ų11353 Ų5353%0.52827%0.267SS..Hα-helixtrans-59.9-45174.5178.5-176.6-27.100111.6R434 L435 L436 S441 S442R434-Q438 WeakPolarHBondContact O-CB 3.18Å; R434-Q438 PolarHBondContact O-N 3.48Å; R434-Q438 VanDerWaalsContact O-N 3.08Å; L435-Q438 WeakPolarHBondContact O-CB 3.26Å; L435-Q438 PolarHBondContact O-N 2.84Å; L436-Q438 VanDerWaalsContact C-N 3.34Å; L436-Q438 PolarHBondContact O-N 3.1Å; Q438-S441 PolarHBondContact O-N 3.04Å; Q438-S442 WeakPolarHBondContact O-CB 3.35Å; Q438-S442 PolarHBondContact O-N 3.41Å
439A98Very high97.9Very high0 Ų053.4 Ų53.40%027%0.27CS..Hα-helixtrans-66.2-44.517900000112.1I375 L435 L436 S441 S442 L445 S446 I449I375-A439 HydrophobicContact CD1-CB 4.05Å; I375-A439 HydrophobicContact CG1-CB 3.97Å; I375-A439 HydrophobicContact CG2-CB 4.02Å; L435-A439 PolarHBondContact O-N 3Å; L436-A439 PolarHBondContact O-N 3.42Å; A439-S441 PolarHBondContact O-N 2.88Å; A439-S442 PolarHBondContact O-N 2.61Å; A439-L445 HydrophobicContact CB-CB 4.23Å; A439-L445 HydrophobicContact CB-CD1 4.14Å; A439-S446 PolarHBondContact O-N 2.85Å; A439-I449 HydrophobicContact CB-CD1 3.64Å
440L97.6Very high97.9Very high11 Ų1155.4 Ų55.46%0.05828%0.28CS..Hα-helixtrans-66.2-19.9177.8-73.9172.1000114.1L436 N437 I449 R451L436-L440 HydrophobicContact CD1-CD1 4.15Å; L436-L440 HydrophobicContact CD1-CG 4.28Å; L436-L440 HydrophobicContact CG-CD1 3.98Å; L436-L440 WeakPolarHBondContact O-CB 3.36Å; L436-L440 WeakPolarHBondContact O-CG 3.14Å; L436-L440 PolarHBondContact O-N 3.39Å; N437-L440 PolarHBondContact O-N 2.84Å; L440-I449 HydrophobicContact CD2-CB 4.27Å; L440-I449 HydrophobicContact CD2-CD1 4.42Å; L440-I449 HydrophobicContact CD2-CG2 3.71Å; L440-R451 HydrophobicContact CD2-CB 4.35Å; L440-R451 HydrophobicContact CD2-CG 4.33Å; L440-R451 PolarHBondContact O-NH2 2.96Å
441S97.8Very high97.8Very high99 Ų9962.1 Ų62.169%0.69231%0.306SS*.THydrogen-bonded Turntrans-98.4-4.2177.9-50.90000113.1N437 Q438 A439N437-S441 WeakPolarHBondContact O-CB 3.26Å; N437-S441 PolarHBondContact O-N 3.41Å; N437-S441 PolarHBondContact O-OG 2.9Å; Q438-S441 PolarHBondContact O-N 3.04Å; A439-S441 PolarHBondContact O-N 2.88Å
442S97.9Very high97.6Very high32 Ų3265.9 Ų65.922%0.22433%0.333CS..  trans-93.6126.7-179175.30000110.9Q438 A439 I444 L445 S446Q438-S442 WeakPolarHBondContact O-CB 3.35Å; Q438-S442 PolarHBondContact O-N 3.41Å; A439-S442 PolarHBondContact O-N 2.61Å; S442-I444 PolarHBondContact O-N 3.35Å; S442-I444 VanDerWaalsContact O-N 3.14Å; S442-I444 PolarHBondContact OG-N 2.93Å; S442-L445 PolarHBondContact O-N 3.04Å; S442-L445 PolarHBondContact OG-N 2.9Å; S442-S446 WeakPolarHBondContact O-CB 3.41Å; S442-S446 PolarHBondContact O-N 2.77Å; S442-S446 PolarHBondContact O-OG 2.94Å
443D96.2Very high97.6Very high151 Ų15167.4 Ų67.481%0.80734%0.339SS*.THydrogen-bonded Turntrans-61-22.6173.9-63-26.4000112.9
444I97.1Very high97.6Very high106 Ų10664.1 Ų64.154%0.54432%0.323SS..THydrogen-bonded Turntrans-82.6-41.5-179.9-60173.9000111.2S442 F448S442-I444 PolarHBondContact O-N 3.35Å; S442-I444 VanDerWaalsContact O-N 3.14Å; S442-I444 PolarHBondContact OG-N 2.93Å; I444-F448 WeakPolarHBondContact O-CE2 3.15Å
445L98.2Very high97.5Very high17 Ų1757.7 Ų57.79%0.08930%0.302CS..THydrogen-bonded Turntrans-97.4-35.6-170.6-59.7178.2000113.2S370 L372 I375 A439 S442 K447 F448S370-L445 WeakPolarHBondContact O-CD2 3.39Å; L372-L445 HydrophobicContact CB-CD2 4.35Å; L372-L445 HydrophobicContact CD1-CB 4.32Å; L372-L445 HydrophobicContact CD1-CD2 4.16Å; I375-L445 HydrophobicContact CD1-CD1 4.17Å; I375-L445 HydrophobicContact CG1-CD1 4.23Å; A439-L445 HydrophobicContact CB-CB 4.23Å; A439-L445 HydrophobicContact CB-CD1 4.14Å; S442-L445 PolarHBondContact O-N 3.04Å; S442-L445 PolarHBondContact OG-N 2.9Å; L445-K447 PolarHBondContact O-N 3.05Å; L445-K447 VanDerWaalsContact O-N 3.14Å; L445-F448 PolarHBondContact O-N 3.47Å
446S98Very high97.4Very high40 Ų4062.4 Ų62.428%0.2832%0.318SS..G310 helixtrans-58.8-30.6-173.859.70000113.2A439 S442 F448 I449A439-S446 PolarHBondContact O-N 2.85Å; S442-S446 WeakPolarHBondContact O-CB 3.41Å; S442-S446 PolarHBondContact O-N 2.77Å; S442-S446 PolarHBondContact O-OG 2.94Å; S446-F448 PolarHBondContact O-N 2.69Å; S446-F448 VanDerWaalsContact O-N 3.14Å; S446-I449 PolarHBondContact O-N 2.85Å; S446-I449 VanDerWaalsContact O-N 3.13Å
447K98Very high97.4Very high118 Ų11862.3 Ų62.351%0.51332%0.317SS..G310 helixtrans-60.7-20.7176.571.3173.4-166.9155.70114.3E366 L445E366-K447 IonicContact OE2-NZ 3.04Å; E366-K447 PolarHBondContact OE2-NZ 2.92Å; L445-K447 PolarHBondContact O-N 3.05Å; L445-K447 VanDerWaalsContact O-N 3.14Å
448F98.6Very high97.3Very high4 Ų461.9 Ų61.92%0.01831%0.31CS..G310 helixtrans-95.4-1.3-179.6-58.5-63000113.5L360 L361 E366 M367 L372 I444 L445 S446L360-F448 CarbonylContact C-O 3.47Å; L360-F448 WeakPolarHBondContact CA-O 3.26Å; L360-F448 WeakPolarHBondContact CB-O 3.26Å; L360-F448 WeakPolarHBondContact CD2-O 3.39Å; L361-F448 PolarHBondContact N-O 2.9Å; L361-F448 WeakPolarHBondContact O-CA 3.34Å; L361-F448 WeakPolarHBondContact O-CD1 3.48Å; E366-F448 HydrophobicContact CB-CE1 3.74Å; E366-F448 HydrophobicContact CB-CZ 3.65Å; M367-F448 HydrophobicContact CE-CB 4.21Å; M367-F448 HydrophobicContact CE-CD1 4.18Å; M367-F448 HydrophobicContact CG-CB 4.1Å; M367-F448 HydrophobicContact CG-CD1 3.67Å; M367-F448 HydrophobicContact CG-CD2 4.27Å; M367-F448 HydrophobicContact CG-CE1 4.06Å; M367-F448 HydrophobicContact CG-CG 3.78Å; M367-F448 HydrophobicContact CG-CZ 4.5Å; L372-F448 HydrophobicContact CD2-CB 3.68Å; L372-F448 HydrophobicContact CD2-CD2 4.31Å; L372-F448 HydrophobicContact CD2-CG 4.27Å; I444-F448 WeakPolarHBondContact O-CE2 3.15Å; L445-F448 PolarHBondContact O-N 3.47Å; S446-F448 PolarHBondContact O-N 2.69Å; S446-F448 VanDerWaalsContact O-N 3.14Å
449I98.4Very high97.2Very high10 Ų1064 Ų645%0.05132%0.318CS..BIsolated β-bridgetrans-114.9122.2-171.7-62.3172.6000109.1L360 L372 A439 L440 S446 R451 I454L360-I449 HydrophobicContact CD2-CG1 4.03Å; L372-I449 HydrophobicContact CD1-CD1 4.33Å; A439-I449 HydrophobicContact CB-CD1 3.64Å; L440-I449 HydrophobicContact CD2-CB 4.27Å; L440-I449 HydrophobicContact CD2-CD1 4.42Å; L440-I449 HydrophobicContact CD2-CG2 3.71Å; S446-I449 PolarHBondContact O-N 2.85Å; S446-I449 VanDerWaalsContact O-N 3.13Å; I449-R451 PolarHBondContact O-N 3Å; I449-I454 HydrophobicContact CG2-CB 4.03Å; I449-I454 HydrophobicContact CG2-CD1 3.61Å; I449-I454 HydrophobicContact CG2-CG1 4.42Å; I449-I454 HydrophobicContact CG2-CG2 3.62Å
450D98.1Very high97.1Very high41 Ų4165.4 Ų65.422%0.21932%0.324CS..  trans-74.699.4166.3-171.3-37.6000108.4L359 L361 S452 Q453 I454L359-D450 PolarHBondContact O-N 3.12Å; L361-D450 HydrophobicContact CD1-CB 4.1Å; L361-D450 HydrophobicContact CD2-CB 4.38Å; L361-D450 HydrophobicContact CG-CB 4.1Å; D450-S452 PolarHBondContact O-N 3.16Å; D450-S452 WeakPolarHBondContact OD1-CA 3.44Å; D450-S452 WeakPolarHBondContact OD1-CB 3.48Å; D450-S452 PolarHBondContact OD1-N 3.11Å; D450-S452 PolarHBondContact OD1-OG 2.83Å; D450-Q453 HydrophobicContact CB-CB 4.16Å; D450-Q453 HydrophobicContact CB-CG 4.2Å; D450-Q453 PolarHBondContact O-N 3.25Å; D450-Q453 PolarHBondContact OD1-N 2.87Å; D450-I454 WeakPolarHBondContact O-CB 3.4Å; D450-I454 WeakPolarHBondContact O-CG2 3.27Å; D450-I454 PolarHBondContact O-N 3.27Å
451R96.9Very high97.2Very high143 Ų14365 Ų6554%0.5432%0.322SS..Hα-helixtrans-56.3-36.5-179.2-176.7178.2-78.1-133.41.3111.8L440 I449 E455L440-R451 HydrophobicContact CD2-CB 4.35Å; L440-R451 HydrophobicContact CD2-CG 4.33Å; L440-R451 PolarHBondContact O-NH2 2.96Å; I449-R451 PolarHBondContact O-N 3Å; R451-E455 HydrophobicContact CG-CG 4.2Å; R451-E455 WeakPolarHBondContact O-CB 3.4Å; R451-E455 WeakPolarHBondContact O-CG 3.38Å; R451-E455 PolarHBondContact O-N 2.82Å
452S95.8Very high97.2Very high83 Ų8360.2 Ų60.258%0.5829%0.289SS*.Hα-helixtrans-68.8-40.1-177.4740000112D450D450-S452 PolarHBondContact O-N 3.16Å; D450-S452 WeakPolarHBondContact OD1-CA 3.44Å; D450-S452 WeakPolarHBondContact OD1-CB 3.48Å; D450-S452 PolarHBondContact OD1-N 3.11Å; D450-S452 PolarHBondContact OD1-OG 2.83Å
453Q97.5Very high97.2Very high66 Ų6658.7 Ų58.731%0.30828%0.278SS..Hα-helixtrans-78.3-43-178.6-61.3-52.6-55.800111.7G358 D450 E455 R456G358-Q453 WeakPolarHBondContact O-CB 3.48Å; G358-Q453 WeakPolarHBondContact O-CG 3.17Å; D450-Q453 HydrophobicContact CB-CB 4.16Å; D450-Q453 HydrophobicContact CB-CG 4.2Å; D450-Q453 PolarHBondContact O-N 3.25Å; D450-Q453 PolarHBondContact OD1-N 2.87Å; Q453-E455 VanDerWaalsContact C-N 3.28Å; Q453-E455 PolarHBondContact O-N 3.35Å; Q453-R456 WeakPolarHBondContact O-CB 3.43Å; Q453-R456 PolarHBondContact O-N 3.07Å
454I97.1Very high97.4Very high0 Ų051.8 Ų51.80%024%0.241CC..Hα-helixtrans-68-28.4-175.5-155.2160.9000112.9F376 F431 L436 I449 D450 R456 F457F376-I454 HydrophobicContact CE1-CD1 3.94Å; F376-I454 HydrophobicContact CZ-CD1 3.76Å; F431-I454 HydrophobicContact CD1-CG1 4.39Å; F431-I454 HydrophobicContact CE1-CD1 4.48Å; F431-I454 HydrophobicContact CE1-CG1 4.05Å; L436-I454 HydrophobicContact CD1-CD1 3.49Å; L436-I454 VanDerWaalsContact CD1-CD1 3.49Å; L436-I454 HydrophobicContact CD1-CG1 3.99Å; L436-I454 HydrophobicContact CD1-CG2 4.44Å; I449-I454 HydrophobicContact CG2-CB 4.03Å; I449-I454 HydrophobicContact CG2-CD1 3.61Å; I449-I454 HydrophobicContact CG2-CG1 4.42Å; I449-I454 HydrophobicContact CG2-CG2 3.62Å; D450-I454 WeakPolarHBondContact O-CB 3.4Å; D450-I454 WeakPolarHBondContact O-CG2 3.27Å; D450-I454 PolarHBondContact O-N 3.27Å; I454-R456 PolarHBondContact O-N 3.4Å; I454-F457 PolarHBondContact O-N 2.87Å
455E96.7Very high97.5Very high72 Ų7246.8 Ų46.834%0.33622%0.215SC..G310 helixtrans-62.6-26.6178.8-74.6-74.6158.600112.2R451 Q453 F457 R458R451-E455 HydrophobicContact CG-CG 4.2Å; R451-E455 WeakPolarHBondContact O-CB 3.4Å; R451-E455 WeakPolarHBondContact O-CG 3.38Å; R451-E455 PolarHBondContact O-N 2.82Å; Q453-E455 VanDerWaalsContact C-N 3.28Å; Q453-E455 PolarHBondContact O-N 3.35Å; E455-F457 PolarHBondContact O-N 3.25Å; E455-R458 PolarHBondContact O-N 2.87Å; E455-R458 IonicContact OE1-CZ 3.14Å; E455-R458 IonicContact OE1-NE 2.72Å; E455-R458 PolarHBondContact OE1-NE 2.87Å; E455-R458 VanDerWaalsContact OE1-NE 3.14Å; E455-R458 IonicContact OE1-NH2 3.2Å; E455-R458 PolarHBondContact OE1-NH2 3.31Å; E455-R458 VanDerWaalsContact OE2-CD 3.25Å; E455-R458 WeakPolarHBondContact OE2-CD 3.27Å; E455-R458 IonicContact OE2-CZ 2.69Å; E455-R458 IonicContact OE2-NE 3.87Å; E455-R458 PolarHBondContact OE2-NE 3.31Å; E455-R458 IonicContact OE2-NH2 3.73Å
456R96Very high97.5Very high134 Ų13446 Ų4651%0.50621%0.211SC..G310 helixtrans-61.8-27.4172.3-173.7170.977.1-144.6-2.2112.8D314 Q453 I454D314-R456 IonicContact OD1-CZ 3.54Å; D314-R456 IonicContact OD1-NE 2.83Å; D314-R456 PolarHBondContact OD1-NE 2.77Å; D314-R456 VanDerWaalsContact OD1-NE 3.11Å; D314-R456 IonicContact OD1-NH2 3.92Å; D314-R456 PolarHBondContact OD1-NH2 2.72Å; D314-R456 WeakPolarHBondContact OD2-CD 3.38Å; D314-R456 IonicContact OD2-CZ 2.8Å; D314-R456 IonicContact OD2-NE 3.58Å; D314-R456 PolarHBondContact OD2-NE 2.91Å; D314-R456 IonicContact OD2-NH2 2.74Å; Q453-R456 WeakPolarHBondContact O-CB 3.43Å; Q453-R456 PolarHBondContact O-N 3.07Å; I454-R456 PolarHBondContact O-N 3.4Å
457F97.3Very high97.5Very high1 Ų144.1 Ų44.10%0.00420%0.198CC..G310 helixtrans-93.92.6-178.3-69.2-95.6000113.5D314 L317 I318 L359 F431 I454 E455 K459 F460D314-F457 HydrophobicContact CB-CE1 3.73Å; D314-F457 HydrophobicContact CB-CZ 3.8Å; D314-F457 VanDerWaalsContact CG-CZ 3.48Å; D314-F457 VanDerWaalsContact OD1-CZ 3.27Å; D314-F457 WeakPolarHBondContact OD1-CZ 3.38Å; L317-F457 HydrophobicContact CD2-CZ 4.04Å; I318-F457 HydrophobicContact CD1-CD1 4.04Å; I318-F457 HydrophobicContact CD1-CE1 3.76Å; I318-F457 HydrophobicContact CD1-CZ 4.44Å; I318-F457 HydrophobicContact CG1-CD1 3.88Å; I318-F457 HydrophobicContact CG1-CE1 3.54Å; L359-F457 HydrophobicContact CD1-CE2 3.86Å; L359-F457 HydrophobicContact CD1-CZ 4.33Å; L359-F457 HydrophobicContact CD2-CD2 3.7Å; L359-F457 HydrophobicContact CD2-CE2 3.72Å; L359-F457 HydrophobicContact CD2-CG 4.13Å; L359-F457 HydrophobicContact CD2-CZ 4.16Å; L359-F457 HydrophobicContact CG-CD2 4.17Å; L359-F457 HydrophobicContact CG-CE2 4Å; F431-F457 WeakPolarHBondContact CB-O 3.38Å; F431-F457 HydrophobicContact CD1-CB 3.55Å; F431-F457 HydrophobicContact CD2-CB 4.13Å; F431-F457 HydrophobicContact CE1-CB 3.42Å; F431-F457 VanDerWaalsContact CE1-CB 3.42Å; F431-F457 HydrophobicContact CE1-CD1 4.41Å; F431-F457 AromaticContact CE1-CG 3.98Å; F431-F457 HydrophobicContact CE1-CG 3.98Å; F431-F457 HydrophobicContact CE2-CB 4.02Å; F431-F457 AromaticContact CE2-CD1 3.87Å; F431-F457 HydrophobicContact CE2-CD1 3.87Å; F431-F457 HydrophobicContact CE2-CG 4.24Å; F431-F457 HydrophobicContact CG-CB 3.91Å; F431-F457 HydrophobicContact CZ-CB 3.67Å; F431-F457 AromaticContact CZ-CD1 3.79Å; F431-F457 HydrophobicContact CZ-CD1 3.79Å; F431-F457 AromaticContact CZ-CG 3.8Å; F431-F457 HydrophobicContact CZ-CG 3.8Å; I454-F457 PolarHBondContact O-N 2.87Å; E455-F457 PolarHBondContact O-N 3.25Å; F457-K459 PolarHBondContact O-N 3.02Å; F457-F460 HydrophobicContact CB-CB 4.32Å; F457-F460 HydrophobicContact CD1-CB 4.36Å; F457-F460 AromaticContact CD1-CD2 3.93Å; F457-F460 HydrophobicContact CD1-CD2 3.93Å; F457-F460 HydrophobicContact CD1-CE2 4.47Å; F457-F460 HydrophobicContact CD1-CG 4.13Å; F457-F460 HydrophobicContact CE1-CD2 4.35Å; F457-F460 HydrophobicContact CE1-CE2 4.5Å; F457-F460 WeakPolarHBondContact O-CB 3.34Å; F457-F460 PolarHBondContact O-N 3.47Å
458R95.3Very high97.6Very high58 Ų5838.5 Ų38.522%0.21917%0.173CC..THydrogen-bonded Turntrans-57.3136.1168.3-74.9-157.1-173.1-99-3.5110E433 L436 N437 E455 F460E433-R458 IonicContact OE1-NH1 3.6Å; E433-R458 IonicContact OE2-CZ 3.67Å; E433-R458 IonicContact OE2-NH1 3.84Å; E433-R458 PolarHBondContact OE2-NH1 3.42Å; L436-R458 HydrophobicContact CD2-CG 4.16Å; N437-R458 PolarHBondContact OD1-NH1 2.89Å; N437-R458 PolarHBondContact OD1-NH2 3.41Å; E455-R458 PolarHBondContact O-N 2.87Å; E455-R458 IonicContact OE1-CZ 3.14Å; E455-R458 IonicContact OE1-NE 2.72Å; E455-R458 PolarHBondContact OE1-NE 2.87Å; E455-R458 VanDerWaalsContact OE1-NE 3.14Å; E455-R458 IonicContact OE1-NH2 3.2Å; E455-R458 PolarHBondContact OE1-NH2 3.31Å; E455-R458 VanDerWaalsContact OE2-CD 3.25Å; E455-R458 WeakPolarHBondContact OE2-CD 3.27Å; E455-R458 IonicContact OE2-CZ 2.69Å; E455-R458 IonicContact OE2-NE 3.87Å; E455-R458 PolarHBondContact OE2-NE 3.31Å; E455-R458 IonicContact OE2-NH2 3.73Å; R458-F460 PolarHBondContact O-N 3.19Å; R458-F460 VanDerWaalsContact O-N 3.16Å
459K94.7Very high97.6Very high157 Ų15738.3 Ų38.368%0.68317%0.173SC*.THydrogen-bonded Turntrans59.914.5-175.4-49.9177.4179.31790115.1C262 F457 G461C262-K459 HydrophobicContact CB-CB 4.29Å; F457-K459 PolarHBondContact O-N 3.02Å; K459-G461 PolarHBondContact O-N 3.36Å
460F97Very high97.6Very high31 Ų3137.9 Ų37.914%0.13617%0.17CC..  trans-57.9-34.6168.9177.2-90.3000111.1M285 Q315 I318 F431 F457 R458 V463M285-F460 HydrophobicContact CG-CE1 4.48Å; M285-F460 HydrophobicContact CG-CE2 4.49Å; M285-F460 HydrophobicContact CG-CZ 4.03Å; Q315-F460 HydrophobicContact CB-CE2 4.43Å; Q315-F460 HydrophobicContact CG-CE2 3.81Å; Q315-F460 HydrophobicContact CG-CZ 4.22Å; I318-F460 HydrophobicContact CB-CE1 3.96Å; I318-F460 HydrophobicContact CB-CZ 3.84Å; I318-F460 HydrophobicContact CG1-CE1 4.09Å; I318-F460 HydrophobicContact CG1-CE2 4.34Å; I318-F460 HydrophobicContact CG1-CZ 3.93Å; I318-F460 HydrophobicContact CG2-CE1 3.81Å; I318-F460 HydrophobicContact CG2-CZ 4.21Å; F431-F460 HydrophobicContact CD2-CB 4.06Å; F431-F460 AromaticContact CD2-CD1 3.86Å; F431-F460 HydrophobicContact CD2-CD1 3.86Å; F431-F460 HydrophobicContact CD2-CG 4.23Å; F431-F460 HydrophobicContact CE2-CD1 4.13Å; F457-F460 HydrophobicContact CB-CB 4.32Å; F457-F460 HydrophobicContact CD1-CB 4.36Å; F457-F460 AromaticContact CD1-CD2 3.93Å; F457-F460 HydrophobicContact CD1-CD2 3.93Å; F457-F460 HydrophobicContact CD1-CE2 4.47Å; F457-F460 HydrophobicContact CD1-CG 4.13Å; F457-F460 HydrophobicContact CE1-CD2 4.35Å; F457-F460 HydrophobicContact CE1-CE2 4.5Å; F457-F460 WeakPolarHBondContact O-CB 3.34Å; F457-F460 PolarHBondContact O-N 3.47Å; R458-F460 PolarHBondContact O-N 3.19Å; R458-F460 VanDerWaalsContact O-N 3.16Å; F460-V463 HydrophobicContact CE1-CG2 4.23Å
461G98.2Very high97.7Very high1 Ų136 Ų361%0.0116%0.16CC..  trans95.6-115.2-171.900000109.6G261 F431 K459G261-G461 VanDerWaalsContact O-CA 3.3Å; G261-G461 WeakPolarHBondContact O-CA 3.49Å; F431-G461 PolarHBondContact N-O 2.97Å; K459-G461 PolarHBondContact O-N 3.36Å
462G98.6Very high97.8Very high0 Ų031 Ų310%015%0.146CC..EExtended strand (participates in β ladder)trans-175.5174.717600000112.3C264 C429C264-G462 WeakPolarHBondContact CB-O 3.34Å; C429-G462 CarbonylContact O-C 3.58Å; C429-G462 WeakPolarHBondContact O-CA 3.5Å
463V98.9Very high97.9Very high0 Ų034 Ų340%015%0.151CC..EExtended strand (participates in β ladder)trans-124.7135.9173.7171.10000107.8M285 I318 Y319 V322 G428 C429 F460 I465M285-V463 HydrophobicContact CE-CG2 3.99Å; I318-V463 HydrophobicContact CG2-CB 4.28Å; I318-V463 HydrophobicContact CG2-CG2 4.05Å; Y319-V463 HydrophobicContact CD2-CG1 3.85Å; Y319-V463 HydrophobicContact CD2-CG2 4.5Å; Y319-V463 HydrophobicContact CE2-CG1 4.38Å; V322-V463 HydrophobicContact CB-CG1 3.89Å; V322-V463 HydrophobicContact CG1-CG1 4.14Å; V322-V463 HydrophobicContact CG2-CB 4.02Å; V322-V463 HydrophobicContact CG2-CG1 3.9Å; G428-V463 CarbonylContact C-O 3.59Å; G428-V463 WeakPolarHBondContact CA-O 3.46Å; C429-V463 PolarHBondContact N-O 2.91Å; C429-V463 PolarHBondContact O-N 3.13Å; F460-V463 HydrophobicContact CE1-CG2 4.23Å; V463-I465 HydrophobicContact CG1-CG1 4.35Å
464R98.9Very high97.9Very high6 Ų637 Ų372%0.02317%0.174CC..EExtended strand (participates in β ladder)trans-130138164.9178.6167.459.6-107.515.4108.9L267 L287 D289 T302 S304 E426 Y430L267-R464 PolarHBondContact O-NH2 2.99Å; L287-R464 HydrophobicContact CD1-CB 3.8Å; L287-R464 HydrophobicContact CG-CB 4.25Å; D289-R464 IonicContact OD2-CZ 3.26Å; D289-R464 IonicContact OD2-NE 2.66Å; D289-R464 PolarHBondContact OD2-NE 2.95Å; D289-R464 IonicContact OD2-NH2 2.8Å; D289-R464 PolarHBondContact OD2-NH2 3.41Å; T302-R464 HydrophobicContact CG2-CB 3.83Å; T302-R464 HydrophobicContact CG2-CG 3.93Å; T302-R464 WeakPolarHBondContact CG2-O 3.49Å; T302-R464 PolarHBondContact OG1-NE 3.42Å; T302-R464 VanDerWaalsContact OG1-NE 3.12Å; S304-R464 PolarHBondContact OG-N 3.12Å; S304-R464 PolarHBondContact OG-O 3.27Å; E426-R464 HydrophobicContact CB-CG 4.39Å; Y430-R464 HydrophobicContact CE1-CB 4.49Å; Y430-R464 WeakPolarHBondContact OH-CB 3.42Å; Y430-R464 WeakPolarHBondContact OH-CD 3.44Å; Y430-R464 PolarHBondContact OH-NH1 3.24Å
465I98.9Very high98Very high0 Ų037.7 Ų37.70%018%0.181CC..  trans-122.4115.8172.6-66.1175.9000105.7Y319 V322 L323 E426 P427 V463Y319-I465 HydrophobicContact CE1-CD1 4.21Å; Y319-I465 HydrophobicContact CE2-CD1 3.93Å; Y319-I465 HydrophobicContact CE2-CG1 4.26Å; V322-I465 HydrophobicContact CB-CD1 4.4Å; V322-I465 HydrophobicContact CG1-CB 4.01Å; V322-I465 HydrophobicContact CG1-CD1 4.09Å; V322-I465 HydrophobicContact CG1-CG1 3.91Å; L323-I465 HydrophobicContact CB-CD1 3.85Å; L323-I465 HydrophobicContact CD1-CD1 4.09Å; E426-I465 CarbonylContact C-O 3.49Å; E426-I465 VanDerWaalsContact CA-O 3.3Å; E426-I465 WeakPolarHBondContact CA-O 3.1Å; P427-I465 WeakPolarHBondContact CD-O 3.37Å; P427-I465 PolarHBondContact O-N 2.91Å; V463-I465 HydrophobicContact CG1-CG1 4.35Å
466E98.9Very high98.1Very high1 Ų137.2 Ų37.21%0.00518%0.178CC..BIsolated β-bridgetrans-124.1118.9-177.2170.8168.9-140.100111.6T302 T424 V425 E426 R484T302-E466 PolarHBondContact O-N 2.94Å; T302-E466 PolarHBondContact OG1-OE2 2.95Å; T424-E466 WeakPolarHBondContact CB-OE1 3.24Å; T424-E466 WeakPolarHBondContact CG2-OE1 3.32Å; V425-E466 VanDerWaalsContact O-CA 3.3Å; V425-E466 WeakPolarHBondContact O-CA 3.42Å; E426-E466 HydrophobicContact CB-CB 3.57Å; E426-E466 HydrophobicContact CB-CG 3.66Å; E466-R484 PolarHBondContact O-NH2 2.72Å
467D98.9Very high98.2Very high1 Ų134 Ų341%0.00517%0.169CC..EExtended strand (participates in β ladder)trans-111.8145.8176.1-74.3-43.8000109.4R327 T424 V425 L478 T480 R484R327-D467 IonicContact NH1-OD2 3.55Å; R327-D467 PolarHBondContact NH1-OD2 3.42Å; R327-D467 VanDerWaalsContact NH1-OD2 3.07Å; T424-D467 CarbonylContact C-O 3.57Å; T424-D467 WeakPolarHBondContact CA-O 3.47Å; V425-D467 PolarHBondContact N-O 2.98Å; V425-D467 PolarHBondContact O-N 3.22Å; D467-L478 HydrophobicContact CB-CD1 3.6Å; D467-T480 WeakPolarHBondContact OD1-CB 3.44Å; D467-T480 WeakPolarHBondContact OD1-CG2 3.41Å; D467-R484 IonicContact OD1-CZ 3.86Å; D467-R484 VanDerWaalsContact OD1-CZ 3.26Å; D467-R484 IonicContact OD1-NE 2.71Å; D467-R484 PolarHBondContact OD1-NE 3.34Å; D467-R484 IonicContact OD1-NH2 3.7Å; D467-R484 PolarHBondContact OD1-NH2 3.07Å; D467-R484 IonicContact OD2-NE 3.31Å
468N98.9Very high98.3Very high0 Ų037.4 Ų37.40%019%0.187CC..EExtended strand (participates in β ladder)trans-98.8136.7167.6-60.2170.7000109.3N212 D300 L385 M423 L479 T480N212-N468 PolarHBondContact ND2-OD1 3.43Å; N212-N468 WeakPolarHBondContact OD1-CB 3.48Å; N212-N468 PolarHBondContact OD1-OD1 3.28Å; N212-N468 VanDerWaalsContact OD1-OD1 3.13Å; D300-N468 PolarHBondContact N-OD1 3.36Å; D300-N468 VanDerWaalsContact N-OD1 3.09Å; D300-N468 VanDerWaalsContact O-CG 3.3Å; D300-N468 PolarHBondContact O-ND2 2.89Å; D300-N468 PolarHBondContact O-OD1 3.13Å; L385-N468 HydrophobicContact CD2-CB 4.11Å; L385-N468 VanDerWaalsContact CD2-CG 3.44Å; L385-N468 WeakPolarHBondContact CD2-OD1 3.36Å; M423-N468 WeakPolarHBondContact O-CA 3.47Å; N468-L479 HydrophobicContact CB-CB 4.22Å; N468-L479 HydrophobicContact CB-CD1 4.25Å; N468-L479 WeakPolarHBondContact O-CB 3.47Å; N468-L479 PolarHBondContact O-N 3.31Å; N468-T480 PolarHBondContact N-OG1 2.67Å
469I98.9Very high98.4Very high0 Ų035.4 Ų35.40%018%0.181CC..EExtended strand (participates in β ladder)trans-129.7153.8178.564.482.7000111.5L330 I333 V422 M423 V425 V471 H476 E477 L478L330-I469 HydrophobicContact CD2-CG2 3.53Å; I333-I469 HydrophobicContact CD1-CD1 4.13Å; I333-I469 HydrophobicContact CD1-CG1 3.91Å; I333-I469 HydrophobicContact CG2-CD1 3.95Å; V422-I469 CarbonylContact C-O 3.57Å; V422-I469 VanDerWaalsContact CA-O 3.25Å; V422-I469 WeakPolarHBondContact CA-O 3.37Å; V422-I469 WeakPolarHBondContact CG1-O 3.4Å; M423-I469 HydrophobicContact CB-CD1 3.78Å; M423-I469 HydrophobicContact CB-CG1 4.07Å; M423-I469 HydrophobicContact CG-CD1 4.15Å; M423-I469 PolarHBondContact N-O 2.75Å; M423-I469 PolarHBondContact O-N 3.22Å; V425-I469 HydrophobicContact CG2-CG1 4.09Å; V425-I469 HydrophobicContact CG2-CG2 4.49Å; I469-V471 HydrophobicContact CD1-CG2 3.64Å; I469-H476 HydrophobicContact CB-CB 4.28Å; I469-H476 HydrophobicContact CD1-CB 4.42Å; I469-E477 CarbonylContact C-O 3.59Å; I469-E477 WeakPolarHBondContact CA-O 3.46Å; I469-E477 WeakPolarHBondContact CB-O 3.37Å; I469-L478 HydrophobicContact CG2-CD1 3.99Å
470I98.9Very high98.6Very high1 Ų128.3 Ų28.31%0.00515%0.15CC..EExtended strand (participates in β ladder)trans-103.6126.8161.2-52.4169.5000106.7L205 V422 T472 H476 E477 L479L205-I470 HydrophobicContact CB-CD1 4.11Å; L205-I470 HydrophobicContact CD1-CD1 4.15Å; L205-I470 HydrophobicContact CD1-CG2 4.01Å; L205-I470 HydrophobicContact CD2-CD1 3.65Å; L205-I470 HydrophobicContact CD2-CG1 3.87Å; L205-I470 HydrophobicContact CD2-CG2 3.92Å; L205-I470 HydrophobicContact CG-CD1 4.16Å; V422-I470 HydrophobicContact CG2-CG1 4.23Å; I470-T472 PolarHBondContact O-N 2.96Å; I470-H476 CarbonylContact O-C 3.56Å; I470-H476 WeakPolarHBondContact O-CA 3.35Å; I470-H476 WeakPolarHBondContact O-CB 3.48Å; I470-E477 HydrophobicContact CB-CB 4.24Å; I470-E477 PolarHBondContact N-O 3.28Å; I470-E477 PolarHBondContact O-N 2.9Å; I470-L479 HydrophobicContact CD1-CD1 4.25Å; I470-L479 HydrophobicContact CD1-CD2 3.66Å; I470-L479 HydrophobicContact CD1-CG 4.31Å; I470-L479 HydrophobicContact CG1-CD1 3.85Å; I470-L479 HydrophobicContact CG1-CD2 3.92Å; I470-L479 HydrophobicContact CG1-CG 4.02Å
471V98.9Very high98.7Very high0 Ų031.6 Ų31.60%017%0.169CC..EExtended strand (participates in β ladder)trans-71.1120.8169.4-1770000107.9I333 P335 L417 Q418 A419 N420 M421 M423 I469I333-V471 HydrophobicContact CG2-CG2 4.02Å; P335-V471 HydrophobicContact CG-CG1 4.1Å; L417-V471 HydrophobicContact CB-CG1 4.34Å; L417-V471 HydrophobicContact CB-CG2 4.25Å; L417-V471 HydrophobicContact CD1-CG2 4.08Å; Q418-V471 VanDerWaalsContact O-CB 3.32Å; Q418-V471 WeakPolarHBondContact O-CB 3.41Å; Q418-V471 WeakPolarHBondContact O-CG1 3.14Å; A419-V471 CarbonylContact C-O 3.48Å; A419-V471 WeakPolarHBondContact CA-O 3.47Å; N420-V471 PolarHBondContact N-O 2.81Å; M421-V471 HydrophobicContact CB-CG2 4.16Å; M421-V471 PolarHBondContact O-N 3.42Å; M423-V471 HydrophobicContact CG-CG2 4.46Å; I469-V471 HydrophobicContact CD1-CG2 3.64Å
472T98.7Very high98.7Very high40 Ų4032.2 Ų32.225%0.24517%0.173CC..  trans-95.4179.8177.566.70000110.2P335 I470 T474 G475 H476 E477P335-T472 WeakPolarHBondContact CD-O 3.47Å; P335-T472 WeakPolarHBondContact CG-O 3.46Å; I470-T472 PolarHBondContact O-N 2.96Å; T472-T474 PolarHBondContact O-N 3.05Å; T472-G475 PolarHBondContact N-O 2.76Å; T472-G475 PolarHBondContact OG1-N 3.17Å; T472-G475 VanDerWaalsContact OG1-N 3.08Å; T472-G475 PolarHBondContact OG1-O 2.79Å; T472-H476 PolarHBondContact OG1-N 2.87Å; T472-E477 HydrophobicContact CG2-CB 4.06Å
473E98.2Very high98.7Very high146 Ų14632.9 Ų32.968%0.68218%0.177SC*.SBendtrans-62.8-23.6177.7-64.2-59.7153.600114A419A419-E473 WeakPolarHBondContact CB-OE1 3.35Å
474T98Very high98.7Very high129 Ų12933.1 Ų33.179%0.79118%0.178SC*.SBendtrans-127.3-4.8-174.456.70000114.3T472T472-T474 PolarHBondContact O-N 3.05Å
475G98.6Very high98.7Very high14 Ų1434.9 Ų34.914%0.14419%0.189CC..SBendtrans-178.8-126.8-174.100000112I333 T472I333-G475 CarbonylContact O-C 3.6Å; I333-G475 VanDerWaalsContact O-C 3.24Å; I333-G475 WeakPolarHBondContact O-CA 3.46Å; T472-G475 PolarHBondContact N-O 2.76Å; T472-G475 PolarHBondContact OG1-N 3.17Å; T472-G475 VanDerWaalsContact OG1-N 3.08Å; T472-G475 PolarHBondContact OG1-O 2.79Å
476H98.8Very high98.7Very high62 Ų6235.2 Ų35.229%0.28719%0.191SC..EExtended strand (participates in β ladder)trans-142.1158.8174.266.5-81.2000112.6L330 I333 I469 I470 T472L330-H476 PolarHBondContact O-CE1 3.1Å; L330-H476 PolarHBondContact O-ND1 2.93Å; L330-H476 VanDerWaalsContact O-ND1 3.07Å; I333-H476 HydrophobicContact CB-CB 4.22Å; I333-H476 HydrophobicContact CG2-CB 3.69Å; I469-H476 HydrophobicContact CB-CB 4.28Å; I469-H476 HydrophobicContact CD1-CB 4.42Å; I470-H476 CarbonylContact O-C 3.56Å; I470-H476 WeakPolarHBondContact O-CA 3.35Å; I470-H476 WeakPolarHBondContact O-CB 3.48Å; T472-H476 PolarHBondContact OG1-N 2.87Å
477E98.8Very high98.6Very high66 Ų6641.5 Ų41.531%0.30822%0.221SC..EExtended strand (participates in β ladder)trans-105.5124.2162.9178.9-173159.300107.6R209 I469 I470 T472 L479R209-E477 IonicContact CZ-OE1 2.73Å; R209-E477 IonicContact CZ-OE2 2.68Å; R209-E477 IonicContact NE-OE1 3.41Å; R209-E477 PolarHBondContact NE-OE1 3.01Å; R209-E477 IonicContact NE-OE2 3.19Å; R209-E477 IonicContact NH2-OE1 3.54Å; R209-E477 IonicContact NH2-OE2 2.85Å; R209-E477 PolarHBondContact NH2-OE2 3.27Å; I469-E477 CarbonylContact C-O 3.59Å; I469-E477 WeakPolarHBondContact CA-O 3.46Å; I469-E477 WeakPolarHBondContact CB-O 3.37Å; I470-E477 HydrophobicContact CB-CB 4.24Å; I470-E477 PolarHBondContact N-O 3.28Å; I470-E477 PolarHBondContact O-N 2.9Å; T472-E477 HydrophobicContact CG2-CB 4.06Å; E477-L479 HydrophobicContact CG-CD2 4.27Å
478L98.8Very high98.6Very high73 Ų7346.1 Ų46.138%0.38224%0.242SC..EExtended strand (participates in β ladder)trans-82.4120.8173.5178.564.5000109.5D467 I469D467-L478 HydrophobicContact CB-CD1 3.6Å; I469-L478 HydrophobicContact CG2-CD1 3.99Å
479L98.8Very high98.6Very high16 Ų1646.1 Ų46.18%0.08424%0.242CC..  trans-90.1-31.8-179.3-60.1-176000113I208 R209 N212 V422 N468 I470 E477I208-L479 HydrophobicContact CG2-CD1 3.67Å; R209-L479 HydrophobicContact CG-CD2 3.67Å; N212-L479 HydrophobicContact CB-CB 3.77Å; V422-L479 HydrophobicContact CG1-CD1 4.45Å; N468-L479 HydrophobicContact CB-CB 4.22Å; N468-L479 HydrophobicContact CB-CD1 4.25Å; N468-L479 WeakPolarHBondContact O-CB 3.47Å; N468-L479 PolarHBondContact O-N 3.31Å; I470-L479 HydrophobicContact CD1-CD1 4.25Å; I470-L479 HydrophobicContact CD1-CD2 3.66Å; I470-L479 HydrophobicContact CD1-CG 4.31Å; I470-L479 HydrophobicContact CG1-CD1 3.85Å; I470-L479 HydrophobicContact CG1-CD2 3.92Å; I470-L479 HydrophobicContact CG1-CG 4.02Å; E477-L479 HydrophobicContact CG-CD2 4.27Å
480T98.7Very high98.5Very high8 Ų848.6 Ų48.65%0.04925%0.254CS..  trans-79.2128.8-175.3-55.80000110.8N212 I301 D467 N468 V482N212-T480 PolarHBondContact OD1-OG1 3.45Å; N212-T480 VanDerWaalsContact OD1-OG1 3.13Å; I301-T480 HydrophobicContact CD1-CG2 3.94Å; I301-T480 HydrophobicContact CG1-CG2 4.01Å; I301-T480 HydrophobicContact CG2-CG2 3.77Å; D467-T480 WeakPolarHBondContact OD1-CB 3.44Å; D467-T480 WeakPolarHBondContact OD1-CG2 3.41Å; N468-T480 PolarHBondContact N-OG1 2.67Å; T480-V482 HydrophobicContact CG2-CG1 4.33Å; T480-V482 HydrophobicContact CG2-CG2 4.01Å
481D98.5Very high98.5Very high100 Ų10051.3 Ų51.354%0.53528%0.276SS..  trans-123.579.7-175.4173.931.5000109.6S216 R220S216-D481 WeakPolarHBondContact CB-O 3.34Å; S216-D481 PolarHBondContact OG-N 3.26Å; R220-D481 IonicContact CZ-OD2 3.62Å; R220-D481 PolarHBondContact NH1-O 2.91Å; R220-D481 IonicContact NH1-OD1 3.7Å; R220-D481 IonicContact NH1-OD2 3.28Å; R220-D481 PolarHBondContact NH1-OD2 3.32Å; R220-D481 IonicContact NH2-OD2 3.38Å
482V98.7Very high98.4Very high14 Ų1455 Ų559%0.08529%0.29CS..SBendtrans-136.3157.6178.4-59.40000109.9H219 R220 T480 R484H219-V482 HydrophobicContact CB-CG1 4Å; R220-V482 HydrophobicContact CG-CG1 4.38Å; T480-V482 HydrophobicContact CG2-CG1 4.33Å; T480-V482 HydrophobicContact CG2-CG2 4.01Å; V482-R484 HydrophobicContact CG2-CG 4.35Å; V482-R484 WeakPolarHBondContact O-CG 3.36Å; V482-R484 PolarHBondContact O-N 3.39Å
483P98.3Very high98.3Very high13 Ų1354.1 Ų54.18%0.08428%0.283CS..  trans-55.7132.3170.9-26.635.7000111.6M223 E488 I489 W492M223-P483 HydrophobicContact SD-CG 4.22Å; P483-E488 HydrophobicContact CB-CB 3.91Å; P483-I489 HydrophobicContact CB-CG1 3.73Å; P483-W492 HydrophobicContact CB-CB 4.37Å; P483-W492 HydrophobicContact CG-CB 3.73Å; P483-W492 HydrophobicContact CG-CD2 4.09Å; P483-W492 HydrophobicContact CG-CG 3.66Å
484R98.5Very high98.1Very high5 Ų551.6 Ų51.62%0.01928%0.282CS..  trans-130.3-27.5-175.2-69.7-68.7-170.7-145.33.1114.3T302 Y319 L323 R327 E466 D467 V482 E488T302-R484 PolarHBondContact O-NH1 3.15Å; Y319-R484 VanDerWaalsContact CE1-O 3.25Å; Y319-R484 WeakPolarHBondContact CE1-O 3.34Å; Y319-R484 PolarHBondContact OH-O 2.92Å; L323-R484 HydrophobicContact CD1-CB 4.23Å; L323-R484 WeakPolarHBondContact CD2-O 3.33Å; R327-R484 VanDerWaalsContact NH2-CB 3.26Å; R327-R484 VanDerWaalsContact NH2-CG 3.34Å; E466-R484 PolarHBondContact O-NH2 2.72Å; D467-R484 IonicContact OD1-CZ 3.86Å; D467-R484 VanDerWaalsContact OD1-CZ 3.26Å; D467-R484 IonicContact OD1-NE 2.71Å; D467-R484 PolarHBondContact OD1-NE 3.34Å; D467-R484 IonicContact OD1-NH2 3.7Å; D467-R484 PolarHBondContact OD1-NH2 3.07Å; D467-R484 IonicContact OD2-NE 3.31Å; V482-R484 HydrophobicContact CG2-CG 4.35Å; V482-R484 WeakPolarHBondContact O-CG 3.36Å; V482-R484 PolarHBondContact O-N 3.39Å; R484-E488 PolarHBondContact N-OE2 3.28Å
485T98.6Very high97.5Very high43 Ų4347.8 Ų47.826%0.26426%0.261SS..SBendtrans-80.5159.9168.987.60000110.4E487 E488 I489T485-E487 VanDerWaalsContact CB-OE2 3.27Å; T485-E487 WeakPolarHBondContact CB-OE2 3.41Å; T485-E487 PolarHBondContact O-N 3.12Å; T485-E487 PolarHBondContact OG1-N 3.12Å; T485-E487 PolarHBondContact OG1-OE2 3.21Å; T485-E488 HydrophobicContact CG2-CG 4.3Å; T485-E488 PolarHBondContact N-OE2 3.27Å; T485-E488 PolarHBondContact O-N 3.37Å; T485-E488 WeakPolarHBondContact OG1-CG 3.42Å; T485-E488 PolarHBondContact OG1-N 3.04Å; T485-E488 VanDerWaalsContact OG1-N 3.08Å; T485-I489 WeakPolarHBondContact O-CG1 3.37Å; T485-I489 PolarHBondContact O-N 2.97Å
486I98.5Very high96.2Very high8 Ų856.4 Ų56.44%0.04129%0.294CS..Hα-helixtrans-56-45.5173.4-73.1160.3000109.7F311 K316 Y319 N320 E488 I489 E490F311-I486 HydrophobicContact CD2-CB 4.4Å; F311-I486 HydrophobicContact CD2-CG1 4.23Å; F311-I486 HydrophobicContact CD2-CG2 3.8Å; F311-I486 HydrophobicContact CE2-CB 4.45Å; F311-I486 HydrophobicContact CE2-CG1 4.24Å; F311-I486 HydrophobicContact CE2-CG2 4.28Å; F311-I486 HydrophobicContact CG-CG1 4.37Å; F311-I486 HydrophobicContact CG-CG2 4.33Å; F311-I486 HydrophobicContact CZ-CG1 4.39Å; K316-I486 HydrophobicContact CB-CD1 3.87Å; K316-I486 HydrophobicContact CD-CD1 4.25Å; K316-I486 HydrophobicContact CG-CD1 3.72Å; Y319-I486 HydrophobicContact CD1-CD1 4.39Å; Y319-I486 HydrophobicContact CD1-CG1 3.83Å; Y319-I486 HydrophobicContact CE1-CG1 4.28Å; N320-I486 WeakPolarHBondContact ND2-CD1 3.45Å; N320-I486 WeakPolarHBondContact OD1-CD1 3.32Å; I486-E488 PolarHBondContact O-N 3.39Å; I486-I489 PolarHBondContact O-N 3.37Å; I486-E490 HydrophobicContact CG2-CG 4.24Å; I486-E490 WeakPolarHBondContact O-CB 3.38Å; I486-E490 WeakPolarHBondContact O-CG 3.37Å; I486-E490 PolarHBondContact O-N 3.49Å
487E98.3Very high94.7Very high133 Ų13357.3 Ų57.362%0.62130%0.301SS*.Hα-helixtrans-62.8-43.2-179.7-57.272.5-15800111.5T485 A491T485-E487 VanDerWaalsContact CB-OE2 3.27Å; T485-E487 WeakPolarHBondContact CB-OE2 3.41Å; T485-E487 PolarHBondContact O-N 3.12Å; T485-E487 PolarHBondContact OG1-N 3.12Å; T485-E487 PolarHBondContact OG1-OE2 3.21Å; E487-A491 WeakPolarHBondContact O-CB 3.21Å; E487-A491 PolarHBondContact O-N 3.32Å
488E98.4Very high92.6Very high97 Ų9761.3 Ų61.345%0.45332%0.32SS..Hα-helixtrans-62.5-43.8176.5-70.1172.5163.900111.5P483 R484 T485 I486 W492P483-E488 HydrophobicContact CB-CB 3.91Å; R484-E488 PolarHBondContact N-OE2 3.28Å; T485-E488 HydrophobicContact CG2-CG 4.3Å; T485-E488 PolarHBondContact N-OE2 3.27Å; T485-E488 PolarHBondContact O-N 3.37Å; T485-E488 WeakPolarHBondContact OG1-CG 3.42Å; T485-E488 PolarHBondContact OG1-N 3.04Å; T485-E488 VanDerWaalsContact OG1-N 3.08Å; I486-E488 PolarHBondContact O-N 3.39Å; E488-W492 WeakPolarHBondContact O-CB 3.37Å; E488-W492 PolarHBondContact O-N 3.22Å
489I98.4Very high90Very high1 Ų164 Ų641%0.00534%0.343CS..Hα-helixtrans-66.7-50.7179.7-71.2170.1000111F305 F311 Y319 P483 T485 I486 A491 W492 M493F305-I489 HydrophobicContact CB-CG2 3.71Å; F311-I489 HydrophobicContact CE2-CB 4.05Å; F311-I489 HydrophobicContact CE2-CD1 4.39Å; F311-I489 HydrophobicContact CE2-CG2 3.74Å; F311-I489 HydrophobicContact CZ-CD1 4.03Å; F311-I489 HydrophobicContact CZ-CG2 4.19Å; Y319-I489 HydrophobicContact CE1-CD1 4.29Å; Y319-I489 HydrophobicContact CE2-CD1 4Å; Y319-I489 WeakPolarHBondContact OH-CD1 3.41Å; P483-I489 HydrophobicContact CB-CG1 3.73Å; T485-I489 WeakPolarHBondContact O-CG1 3.37Å; T485-I489 PolarHBondContact O-N 2.97Å; I486-I489 PolarHBondContact O-N 3.37Å; I489-A491 VanDerWaalsContact C-N 3.33Å; I489-A491 PolarHBondContact O-N 2.91Å; I489-W492 PolarHBondContact O-N 2.78Å; I489-M493 HydrophobicContact CG2-CG 4.39Å; I489-M493 HydrophobicContact CG2-SD 3.95Å; I489-M493 WeakPolarHBondContact O-CB 3.44Å; I489-M493 WeakPolarHBondContact O-CG 3.17Å; I489-M493 PolarHBondContact O-N 3.08Å
490E97.9Very high87.2Confident51 Ų5168.8 Ų68.824%0.23837%0.369CS..Hα-helixtrans-62.8-40.5-179.9-66.4-172.7164.200111.2G309 F311 I486 S494G309-E490 WeakPolarHBondContact O-CG 3.46Å; F311-E490 HydrophobicContact CD2-CG 3.94Å; F311-E490 HydrophobicContact CE2-CG 4.37Å; F311-E490 PolarHBondContact N-OE1 3.14Å; I486-E490 HydrophobicContact CG2-CG 4.24Å; I486-E490 WeakPolarHBondContact O-CB 3.38Å; I486-E490 WeakPolarHBondContact O-CG 3.37Å; I486-E490 PolarHBondContact O-N 3.49Å; E490-S494 VanDerWaalsContact O-CB 3.29Å; E490-S494 WeakPolarHBondContact O-CB 3.32Å; E490-S494 PolarHBondContact O-N 3.2Å; E490-S494 VanDerWaalsContact O-N 3.09Å; E490-S494 PolarHBondContact O-OG 3.33Å
491A97.3Very high84.2Confident58 Ų5872.1 Ų72.148%0.47941%0.405SS..Hα-helixtrans-65-43.9174.500000112E487 I489 S494 S495E487-A491 WeakPolarHBondContact O-CB 3.21Å; E487-A491 PolarHBondContact O-N 3.32Å; I489-A491 VanDerWaalsContact C-N 3.33Å; I489-A491 PolarHBondContact O-N 2.91Å; A491-S494 PolarHBondContact O-N 3.36Å; A491-S494 PolarHBondContact O-OG 2.8Å; A491-S494 VanDerWaalsContact O-OG 3.13Å; A491-S495 PolarHBondContact O-N 2.66Å; A491-S495 VanDerWaalsContact O-N 3.13Å
492W97Very high80.9Confident79 Ų7976 Ų7630%0.29942%0.419SS..Hα-helixtrans-63.7-47.1179.5-173.5-100.7000111.7R220 P483 E488 I489 S494 S495R220-W492 HydrophobicContact CB-CZ2 3.63Å; R220-W492 HydrophobicContact CG-CZ2 4.13Å; R220-W492 PolarHBondContact O-NE1 2.85Å; P483-W492 HydrophobicContact CB-CB 4.37Å; P483-W492 HydrophobicContact CG-CB 3.73Å; P483-W492 HydrophobicContact CG-CD2 4.09Å; P483-W492 HydrophobicContact CG-CG 3.66Å; E488-W492 WeakPolarHBondContact O-CB 3.37Å; E488-W492 PolarHBondContact O-N 3.22Å; I489-W492 PolarHBondContact O-N 2.78Å; W492-S494 VanDerWaalsContact C-N 3.34Å; W492-S494 PolarHBondContact O-N 3.25Å; W492-S495 PolarHBondContact O-N 3.29Å; W492-S495 PolarHBondContact O-OG 2.95Å
493M96.5Very high77.9Confident20 Ų2085.7 Ų85.710%0.09947%0.469CS..Hα-helixtrans-68.5-30.1-178.5-70.9-172.575.800113.3M223 F305 P306 I489M223-M493 HydrophobicContact CB-CG 4.17Å; M223-M493 VanDerWaalsContact O-CE 3.26Å; M223-M493 WeakPolarHBondContact O-CE 3.47Å; F305-M493 HydrophobicContact CB-SD 4.13Å; F305-M493 HydrophobicContact CD2-CE 3.67Å; F305-M493 HydrophobicContact CD2-SD 3.66Å; F305-M493 HydrophobicContact CE2-CE 3.98Å; F305-M493 HydrophobicContact CE2-SD 4.42Å; F305-M493 HydrophobicContact CG-SD 4.17Å; P306-M493 WeakPolarHBondContact O-CE 2.96Å; I489-M493 HydrophobicContact CG2-CG 4.39Å; I489-M493 HydrophobicContact CG2-SD 3.95Å; I489-M493 WeakPolarHBondContact O-CB 3.44Å; I489-M493 WeakPolarHBondContact O-CG 3.17Å; I489-M493 PolarHBondContact O-N 3.08Å
494S94Very high76.9Confident94 Ų9489.3 Ų89.366%0.65749%0.488SS*.Hα-helixtrans-83.3-20.517860.60000113.9E490 A491 W492E490-S494 VanDerWaalsContact O-CB 3.29Å; E490-S494 WeakPolarHBondContact O-CB 3.32Å; E490-S494 PolarHBondContact O-N 3.2Å; E490-S494 VanDerWaalsContact O-N 3.09Å; E490-S494 PolarHBondContact O-OG 3.33Å; A491-S494 PolarHBondContact O-N 3.36Å; A491-S494 PolarHBondContact O-OG 2.8Å; A491-S494 VanDerWaalsContact O-OG 3.13Å; W492-S494 VanDerWaalsContact C-N 3.34Å; W492-S494 PolarHBondContact O-N 3.25Å
495S86.9Confident75.8Confident49 Ų4993.7 Ų93.734%0.34351%0.513SS..SBendtrans-64.6135.4178.372.40000111.9R224 A491 W492 L497R224-S495 PolarHBondContact NE-O 2.98Å; R224-S495 PolarHBondContact NE-OG 2.73Å; R224-S495 VanDerWaalsContact NH2-C 3.27Å; R224-S495 PolarHBondContact NH2-O 3.05Å; R224-S495 PolarHBondContact NH2-OG 3.26Å; A491-S495 PolarHBondContact O-N 2.66Å; A491-S495 VanDerWaalsContact O-N 3.13Å; W492-S495 PolarHBondContact O-N 3.29Å; W492-S495 PolarHBondContact O-OG 2.95Å; S495-L497 PolarHBondContact O-N 2.88Å
496K71.2Confident74.5Confident194 Ų19496.6 Ų96.684%0.84353%0.527SS*.  trans-64.6126.2177.4-72.2-174.2179.1-179.40111.2R224 E498R224-K496 PolarHBondContact NH2-O 2.95Å; K496-E498 PolarHBondContact O-N 3.46Å
497L67.1Low73.1Confident81 Ų81101.8 Ų101.842%0.42456%0.555SS.*  trans-52.4109.6171.2-79.6158.6000107.6R224 S495 C499R224-L497 HydrophobicContact CB-CD1 4.32Å; R224-L497 HydrophobicContact CB-CD2 3.85Å; R224-L497 HydrophobicContact CB-CG 4.06Å; R224-L497 VanDerWaalsContact NH2-CA 3.26Å; S495-L497 PolarHBondContact O-N 2.88Å; L497-C499 PolarHBondContact O-N 3.08Å; L497-C499 VanDerWaalsContact O-N 3.08Å
498E54.4Low71.5Confident151 Ų15199.8 Ų99.871%0.70655%0.551SS**  trans-65.1114.8171.8-72.5-168.5-178.300106.8K496 N500K496-E498 PolarHBondContact O-N 3.46Å; E498-N500 HydrophobicContact CB-CB 4.45Å; E498-N500 PolarHBondContact O-N 3Å; E498-N500 PolarHBondContact OE2-ND2 3.49Å
499C44.1Very low69.7Low129 Ų129100 Ų10087%0.87256%0.558SS**  trans-70.562167.3-66.80000109.5L497L497-C499 PolarHBondContact O-N 3.08Å; L497-C499 VanDerWaalsContact O-N 3.08Å
500N39.8Very low67.7Low117 Ų117107.1 Ų107.163%0.62660%0.597SS**  trans-120.3103.3175.8-76.5-27000108.7E498 H502E498-N500 HydrophobicContact CB-CB 4.45Å; E498-N500 PolarHBondContact O-N 3Å; E498-N500 PolarHBondContact OE2-ND2 3.49Å; N500-H502 PolarHBondContact O-N 3.08Å
501G35.8Very low65.4Low78 Ų78111.4 Ų111.480%0.80463%0.625SS**  trans-71.247.1-179.100000115.2
502H29.4Very low62.7Low182 Ų182115.8 Ų115.884%0.84364%0.637SS**  trans-142.394.9175-70.4-40.9000111.2N500N500-H502 PolarHBondContact O-N 3.08Å
503L36.4Very low59.6Low216 Ų216119.2 Ų119.2100%1.13167%0.668SS**  trans-136.20159-82171.9000109.1

Retrieved 503 of 503 residues in 176.6 ms (Link to these results)

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