A0A096LP04_HUMAN Loading...

F-box and WD repeat domain containing 5

AlphaFold DB , UniProt , Accession A0A096LP04, Species HUMAN (Homo sapiens, Human), Gene FBXW5, Length 117 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
1M38.2Very low63.3Low245 Ų245122.4 Ų122.4100%1.20773%0.727SS**  090.80-148.7167.8-172.600103.7E3M1-E3 PolarHBondContact O-N 2.77Å
2D42.8Very low65.9Low171 Ų171118.9 Ų118.991%0.91471%0.714SS**  trans-87.9105-170.4-144.85.3000105.6G4D2-G4 PolarHBondContact O-N 3.49Å; D2-G4 VanDerWaalsContact O-N 3.13Å
3E43.4Very low68.1Low187 Ų187115.8 Ų115.887%0.87469%0.69SS**  trans-66.4113.8179.8-72.1-164.4140.200108.3M1 G5M1-E3 PolarHBondContact O-N 2.77Å; E3-G5 PolarHBondContact O-N 3.35Å
4G48.3Very low70.1Confident82 Ų82107.6 Ų107.685%0.84564%0.641SS**  trans-63.974.3175.900000112.2D2 T6D2-G4 PolarHBondContact O-N 3.49Å; D2-G4 VanDerWaalsContact O-N 3.13Å; G4-T6 PolarHBondContact O-N 2.74Å
5G53.5Low71.9Confident65 Ų65104.3 Ų104.367%0.6761%0.614SS**  trans-65.6119.1163.600000108.4E3E3-G5 PolarHBondContact O-N 3.35Å
6T58.4Low73.4Confident107 Ų107106.3 Ų106.366%0.65662%0.615SS**  trans-43134.6166.546.20000109.5G4 L8G4-T6 PolarHBondContact O-N 2.74Å; T6-L8 VanDerWaalsContact C-N 3.34Å; T6-L8 PolarHBondContact O-N 3.48Å
7P60.6Low74.8Confident135 Ų135104.6 Ų104.688%0.87760%0.603SS**  trans-63.298.9178.225.7-32.2000108.4L9P7-L9 PolarHBondContact O-N 3.13Å
8L75Confident76.1Confident122 Ų12298.9 Ų98.964%0.63957%0.57SS**PPolyproline II helixtrans-69.4130.3173.1-72.3166.4000107T6T6-L8 VanDerWaalsContact C-N 3.34Å; T6-L8 PolarHBondContact O-N 3.48Å
9L88Confident77.1Confident70 Ų7096.4 Ų96.437%0.36655%0.554SS.*PPolyproline II helixtrans-56129.3173.9-16977.3000108.2P7 L13 V14 I17 Q35P7-L9 PolarHBondContact O-N 3.13Å; L9-L13 HydrophobicContact CD1-CB 4.02Å; L9-L13 HydrophobicContact CD1-CD1 3.67Å; L9-L13 HydrophobicContact CD2-CB 3.79Å; L9-L13 HydrophobicContact CG-CB 3.73Å; L9-L13 HydrophobicContact CG-CD1 4.23Å; L9-V14 HydrophobicContact CB-CG2 4.23Å; L9-V14 HydrophobicContact CD2-CG2 3.8Å; L9-V14 HydrophobicContact CG-CG2 4.29Å; L9-I17 HydrophobicContact CD2-CD1 3.61Å; L9-Q35 PolarHBondContact O-NE2 3.47Å
10P93.6Very high78.1Confident71 Ų7195.5 Ų95.546%0.46155%0.553SS.*PPolyproline II helixtrans-55.5146.7177.1-27.333.3000113S12 L13 V14P10-S12 PolarHBondContact O-N 3.48Å; P10-S12 VanDerWaalsContact O-N 3.13Å; P10-L13 PolarHBondContact O-N 3.4Å; P10-V14 PolarHBondContact O-N 3.38Å; P10-V14 VanDerWaalsContact O-N 3.15Å
11D94.1Very high79Confident91 Ų9193.3 Ų93.349%0.48754%0.539SS..Hα-helixtrans-54.7-35.4-178.5-69.2-4.9000112.9L13 V14 Y15 Q35 V39D11-L13 VanDerWaalsContact C-N 3.31Å; D11-L13 PolarHBondContact O-N 2.95Å; D11-V14 PolarHBondContact O-N 2.61Å; D11-Y15 VanDerWaalsContact O-CB 3.28Å; D11-Y15 WeakPolarHBondContact O-CB 3.49Å; D11-Y15 PolarHBondContact O-N 3Å; D11-Q35 VanDerWaalsContact OD1-CG 3.24Å; D11-Q35 WeakPolarHBondContact OD1-CG 3.46Å; D11-Q35 PolarHBondContact OD1-NE2 3.04Å; D11-V39 HydrophobicContact CB-CG2 3.97Å
12S94.6Very high81.7Confident81 Ų8182.9 Ų82.957%0.56649%0.494SS*.Hα-helixtrans-63.6-34.2177.656.40000113.3P10 Q16P10-S12 PolarHBondContact O-N 3.48Å; P10-S12 VanDerWaalsContact O-N 3.13Å; S12-Q16 WeakPolarHBondContact O-CG 3.43Å; S12-Q16 PolarHBondContact O-N 3.11Å; S12-Q16 VanDerWaalsContact O-N 3.11Å
13L95.3Very high84.3Confident78 Ų7875.6 Ų75.641%0.40846%0.457SS..Hα-helixtrans-78.7-39.3176.5-67-176.3000111L9 P10 D11 Y15 Q16 I17L9-L13 HydrophobicContact CD1-CB 4.02Å; L9-L13 HydrophobicContact CD1-CD1 3.67Å; L9-L13 HydrophobicContact CD2-CB 3.79Å; L9-L13 HydrophobicContact CG-CB 3.73Å; L9-L13 HydrophobicContact CG-CD1 4.23Å; P10-L13 PolarHBondContact O-N 3.4Å; D11-L13 VanDerWaalsContact C-N 3.31Å; D11-L13 PolarHBondContact O-N 2.95Å; L13-Y15 VanDerWaalsContact C-N 3.26Å; L13-Y15 PolarHBondContact O-N 3.02Å; L13-Q16 PolarHBondContact O-N 3.18Å; L13-I17 VanDerWaalsContact O-CG1 3.3Å; L13-I17 WeakPolarHBondContact O-CG1 3.27Å; L13-I17 PolarHBondContact O-N 3.34Å
14V95.6Very high86.8Confident1 Ų170 Ų701%0.00644%0.442CS..Hα-helixtrans-57.5-44.5171.1-178.90000109.9L9 P10 D11 Q16 I17 F18 W36 V39L9-V14 HydrophobicContact CB-CG2 4.23Å; L9-V14 HydrophobicContact CD2-CG2 3.8Å; L9-V14 HydrophobicContact CG-CG2 4.29Å; P10-V14 PolarHBondContact O-N 3.38Å; P10-V14 VanDerWaalsContact O-N 3.15Å; D11-V14 PolarHBondContact O-N 2.61Å; V14-Q16 PolarHBondContact O-N 3.17Å; V14-I17 WeakPolarHBondContact O-CB 3.49Å; V14-I17 PolarHBondContact O-N 3.24Å; V14-F18 HydrophobicContact CG1-CD1 4.23Å; V14-F18 HydrophobicContact CG1-CD2 4.26Å; V14-F18 HydrophobicContact CG1-CE1 3.82Å; V14-F18 HydrophobicContact CG1-CE2 3.85Å; V14-F18 HydrophobicContact CG1-CG 4.43Å; V14-F18 HydrophobicContact CG1-CZ 3.62Å; V14-F18 WeakPolarHBondContact O-CD1 3.3Å; V14-F18 WeakPolarHBondContact O-CG 3.41Å; V14-F18 PolarHBondContact O-N 3.42Å; V14-W36 HydrophobicContact CG1-CG 4.35Å; V14-V39 HydrophobicContact CB-CG1 4.2Å; V14-V39 HydrophobicContact CB-CG2 4.27Å; V14-V39 HydrophobicContact CG1-CB 3.98Å; V14-V39 HydrophobicContact CG1-CG1 3.85Å; V14-V39 HydrophobicContact CG1-CG2 4.17Å
15Y96.7Very high89.1Confident58 Ų5870.5 Ų70.523%0.22743%0.425CS..Hα-helixtrans-58.6-47.4176.6173.6-92000112D11 L13 I17 F18 L19 D42 F44 L45D11-Y15 VanDerWaalsContact O-CB 3.28Å; D11-Y15 WeakPolarHBondContact O-CB 3.49Å; D11-Y15 PolarHBondContact O-N 3Å; L13-Y15 VanDerWaalsContact C-N 3.26Å; L13-Y15 PolarHBondContact O-N 3.02Å; Y15-I17 VanDerWaalsContact C-N 3.33Å; Y15-I17 PolarHBondContact O-N 2.96Å; Y15-F18 PolarHBondContact O-N 3.15Å; Y15-L19 HydrophobicContact CD1-CD1 3.97Å; Y15-L19 HydrophobicContact CD1-CG 4.29Å; Y15-L19 HydrophobicContact CE1-CD1 3.32Å; Y15-L19 HydrophobicContact CE1-CD2 4.43Å; Y15-L19 HydrophobicContact CE1-CG 3.84Å; Y15-L19 PolarHBondContact O-N 3.34Å; Y15-D42 WeakPolarHBondContact CE2-OD1 3.33Å; Y15-F44 HydrophobicContact CE2-CB 4.43Å; Y15-L45 HydrophobicContact CD2-CB 4.17Å; Y15-L45 HydrophobicContact CD2-CD1 4.24Å; Y15-L45 HydrophobicContact CE2-CB 3.69Å; Y15-L45 HydrophobicContact CE2-CG 4.5Å
16Q96.9Very high91.2Very high136 Ų13667.4 Ų67.464%0.63639%0.393SS*.Hα-helixtrans-63.4-37.8177.1-75.7-154.9-900113S12 L13 V14 L19S12-Q16 WeakPolarHBondContact O-CG 3.43Å; S12-Q16 PolarHBondContact O-N 3.11Å; S12-Q16 VanDerWaalsContact O-N 3.11Å; L13-Q16 PolarHBondContact O-N 3.18Å; V14-Q16 PolarHBondContact O-N 3.17Å; Q16-L19 PolarHBondContact O-N 2.88Å
17I96.4Very high93Very high79 Ų7965.2 Ų65.241%0.40538%0.377SS..Hα-helixtrans-61.5-48.8173-67.1165.1000109.1L9 L13 V14 Y15 L19 S20L9-I17 HydrophobicContact CD2-CD1 3.61Å; L13-I17 VanDerWaalsContact O-CG1 3.3Å; L13-I17 WeakPolarHBondContact O-CG1 3.27Å; L13-I17 PolarHBondContact O-N 3.34Å; V14-I17 WeakPolarHBondContact O-CB 3.49Å; V14-I17 PolarHBondContact O-N 3.24Å; Y15-I17 VanDerWaalsContact C-N 3.33Å; Y15-I17 PolarHBondContact O-N 2.96Å; I17-L19 VanDerWaalsContact C-N 3.31Å; I17-L19 PolarHBondContact O-N 3.43Å; I17-S20 WeakPolarHBondContact O-CB 3.28Å; I17-S20 PolarHBondContact O-N 2.72Å; I17-S20 PolarHBondContact O-OG 3.26Å
18F97.6Very high94.8Very high2 Ų261.5 Ų61.51%0.00936%0.358CS..Hα-helixtrans-64.6-32.5-178-71.53.3000113.4V14 Y15 S20 L21 V26 A29 W36 V39 L45V14-F18 HydrophobicContact CG1-CD1 4.23Å; V14-F18 HydrophobicContact CG1-CD2 4.26Å; V14-F18 HydrophobicContact CG1-CE1 3.82Å; V14-F18 HydrophobicContact CG1-CE2 3.85Å; V14-F18 HydrophobicContact CG1-CG 4.43Å; V14-F18 HydrophobicContact CG1-CZ 3.62Å; V14-F18 WeakPolarHBondContact O-CD1 3.3Å; V14-F18 WeakPolarHBondContact O-CG 3.41Å; V14-F18 PolarHBondContact O-N 3.42Å; Y15-F18 PolarHBondContact O-N 3.15Å; F18-S20 PolarHBondContact O-N 2.89Å; F18-L21 HydrophobicContact CD1-CD1 3.92Å; F18-L21 HydrophobicContact CE1-CD1 4.49Å; F18-L21 WeakPolarHBondContact O-CB 3.31Å; F18-L21 PolarHBondContact O-N 3.13Å; F18-V26 HydrophobicContact CB-CG2 4.04Å; F18-V26 HydrophobicContact CD2-CG1 4.07Å; F18-V26 HydrophobicContact CG-CG1 4.47Å; F18-V26 HydrophobicContact CG-CG2 4.45Å; F18-V26 WeakPolarHBondContact O-CG2 3.34Å; F18-A29 HydrophobicContact CE1-CB 3.66Å; F18-A29 HydrophobicContact CZ-CB 3.69Å; F18-W36 HydrophobicContact CE1-CD2 4.27Å; F18-W36 HydrophobicContact CE1-CE3 4.02Å; F18-W36 HydrophobicContact CE1-CZ3 4.32Å; F18-W36 HydrophobicContact CZ-CB 4Å; F18-W36 AromaticContact CZ-CD2 3.92Å; F18-W36 HydrophobicContact CZ-CD2 3.92Å; F18-W36 AromaticContact CZ-CE3 3.85Å; F18-W36 HydrophobicContact CZ-CE3 3.85Å; F18-W36 HydrophobicContact CZ-CG 4.02Å; F18-V39 HydrophobicContact CD2-CB 4.4Å; F18-V39 HydrophobicContact CD2-CG1 3.89Å; F18-V39 HydrophobicContact CE2-CB 4.2Å; F18-V39 HydrophobicContact CE2-CG1 4.16Å; F18-L45 HydrophobicContact CB-CD1 3.5Å; F18-L45 HydrophobicContact CD2-CD1 3.96Å; F18-L45 HydrophobicContact CG-CD1 4.27Å
19L96.6Very high95.8Very high51 Ų5156.3 Ų56.327%0.26733%0.333SS..Hα-helixtrans-59.5-25.4172.3-78.5-179.2000113.4Y15 Q16 I17 E48 R52Y15-L19 HydrophobicContact CD1-CD1 3.97Å; Y15-L19 HydrophobicContact CD1-CG 4.29Å; Y15-L19 HydrophobicContact CE1-CD1 3.32Å; Y15-L19 HydrophobicContact CE1-CD2 4.43Å; Y15-L19 HydrophobicContact CE1-CG 3.84Å; Y15-L19 PolarHBondContact O-N 3.34Å; Q16-L19 PolarHBondContact O-N 2.88Å; I17-L19 VanDerWaalsContact C-N 3.31Å; I17-L19 PolarHBondContact O-N 3.43Å; L19-E48 HydrophobicContact CD2-CB 3.81Å; L19-E48 HydrophobicContact CD2-CG 4.16Å; L19-R52 PolarHBondContact O-NH1 2.74Å
20S96.1Very high96.2Very high77 Ų7753.1 Ų53.154%0.53832%0.317SS..Hα-helixtrans-80-21.1176.774.80000113.1I17 F18 R52I17-S20 WeakPolarHBondContact O-CB 3.28Å; I17-S20 PolarHBondContact O-N 2.72Å; I17-S20 PolarHBondContact O-OG 3.26Å; F18-S20 PolarHBondContact O-N 2.89Å; S20-R52 PolarHBondContact O-NH1 3.48Å
21L96.8Very high96.4Very high51 Ų5157 Ų5727%0.26733%0.333SS..SBendtrans-85.5163.6-173.6-60.8-178.8000113.7F18 D25 V26 Q49F18-L21 HydrophobicContact CD1-CD1 3.92Å; F18-L21 HydrophobicContact CE1-CD1 4.49Å; F18-L21 WeakPolarHBondContact O-CB 3.31Å; F18-L21 PolarHBondContact O-N 3.13Å; L21-D25 HydrophobicContact CB-CB 4.08Å; L21-D25 HydrophobicContact CD1-CB 4.42Å; L21-V26 HydrophobicContact CB-CG2 3.85Å; L21-Q49 PolarHBondContact O-NE2 3.12Å
22G96.2Very high96.5Very high25 Ų2557.5 Ų57.526%0.25834%0.339SS..  trans-76.1161.8169.300000112.4A24 D25 V26G22-A24 VanDerWaalsContact C-N 3.32Å; G22-A24 PolarHBondContact O-N 3.15Å; G22-D25 PolarHBondContact O-N 3.34Å; G22-D25 VanDerWaalsContact O-N 3.15Å; G22-V26 WeakPolarHBondContact O-CG2 3.45Å; G22-V26 PolarHBondContact O-N 2.91Å
23P95.8Very high96.5Very high19 Ų1956.1 Ų56.112%0.12333%0.329CS..Hα-helixtrans-61.8-40-175.3-13.323.5000112.3V26 L27 W46 Q49 Y53 F73P23-V26 PolarHBondContact O-N 2.92Å; P23-L27 WeakPolarHBondContact O-CG 3.46Å; P23-L27 PolarHBondContact O-N 2.83Å; P23-L27 VanDerWaalsContact O-N 3.12Å; P23-W46 HydrophobicContact CB-CH2 4.17Å; P23-W46 HydrophobicContact CB-CZ3 3.99Å; P23-Q49 HydrophobicContact CB-CG 4.04Å; P23-Q49 HydrophobicContact CG-CG 3.77Å; P23-Y53 HydrophobicContact CG-CD2 3.66Å; P23-Y53 HydrophobicContact CG-CE2 4.14Å; P23-Y53 HydrophobicContact CG-CG 4.29Å; P23-F73 HydrophobicContact CB-CE1 4.02Å; P23-F73 HydrophobicContact CB-CZ 3.79Å; P23-F73 HydrophobicContact CG-CE1 4.26Å; P23-F73 HydrophobicContact CG-CE2 4.26Å; P23-F73 HydrophobicContact CG-CZ 3.57Å
24A95.6Very high96.4Very high68 Ų6862.9 Ų62.956%0.56235%0.349SS*.Hα-helixtrans-64.1-40.8176.500000112.1G22 L27 A28G22-A24 VanDerWaalsContact C-N 3.32Å; G22-A24 PolarHBondContact O-N 3.15Å; A24-L27 PolarHBondContact O-N 3.32Å; A24-A28 WeakPolarHBondContact O-CB 3.46Å; A24-A28 PolarHBondContact O-N 3.33Å
25D97.6Very high96.3Very high93 Ų9364.8 Ų64.850%0.49736%0.358SS..Hα-helixtrans-68.3-38.8179-59-41.5000111.7L21 G22 L27 A28 A29L21-D25 HydrophobicContact CB-CB 4.08Å; L21-D25 HydrophobicContact CD1-CB 4.42Å; G22-D25 PolarHBondContact O-N 3.34Å; G22-D25 VanDerWaalsContact O-N 3.15Å; D25-L27 VanDerWaalsContact C-N 3.32Å; D25-L27 PolarHBondContact O-N 3.44Å; D25-A28 PolarHBondContact O-N 3.12Å; D25-A29 VanDerWaalsContact O-CB 3.27Å; D25-A29 WeakPolarHBondContact O-CB 3.42Å; D25-A29 PolarHBondContact O-N 3.45Å
26V97.4Very high96.3Very high0 Ų066 Ų660%036%0.362CS..Hα-helixtrans-60.2-44.2173.4171.60000110.8F18 L21 G22 P23 A29 G30 L45 W46F18-V26 HydrophobicContact CB-CG2 4.04Å; F18-V26 HydrophobicContact CD2-CG1 4.07Å; F18-V26 HydrophobicContact CG-CG1 4.47Å; F18-V26 HydrophobicContact CG-CG2 4.45Å; F18-V26 WeakPolarHBondContact O-CG2 3.34Å; L21-V26 HydrophobicContact CB-CG2 3.85Å; G22-V26 WeakPolarHBondContact O-CG2 3.45Å; G22-V26 PolarHBondContact O-N 2.91Å; P23-V26 PolarHBondContact O-N 2.92Å; V26-A29 PolarHBondContact O-N 2.98Å; V26-G30 PolarHBondContact O-N 3.48Å; V26-L45 HydrophobicContact CG1-CD1 4.38Å; V26-L45 HydrophobicContact CG1-CD2 3.89Å; V26-W46 HydrophobicContact CG1-CZ2 4.41Å
27L96.4Very high96.3Very high61 Ų6164.6 Ų64.632%0.31936%0.355SS..Hα-helixtrans-64.4-43.9177-72.4174.7000111.8P23 A24 D25 G30 L31 W46 Y70P23-L27 WeakPolarHBondContact O-CG 3.46Å; P23-L27 PolarHBondContact O-N 2.83Å; P23-L27 VanDerWaalsContact O-N 3.12Å; A24-L27 PolarHBondContact O-N 3.32Å; D25-L27 VanDerWaalsContact C-N 3.32Å; D25-L27 PolarHBondContact O-N 3.44Å; L27-G30 PolarHBondContact O-N 2.91Å; L27-L31 PolarHBondContact O-N 2.84Å; L27-W46 HydrophobicContact CD1-CH2 4.12Å; L27-W46 HydrophobicContact CD2-CH2 4.09Å; L27-W46 HydrophobicContact CD2-CZ2 3.7Å; L27-W46 HydrophobicContact CG-CH2 3.88Å; L27-W46 HydrophobicContact CG-CZ2 3.93Å; L27-Y70 HydrophobicContact CD2-CE2 4.01Å
28A97.9Very high96.3Very high58 Ų5863.9 Ų63.948%0.47936%0.361SS..Hα-helixtrans-61.8-44.5176.800000111.6A24 D25 G30 L31A24-A28 WeakPolarHBondContact O-CB 3.46Å; A24-A28 PolarHBondContact O-N 3.33Å; D25-A28 PolarHBondContact O-N 3.12Å; A28-G30 VanDerWaalsContact C-N 3.31Å; A28-G30 PolarHBondContact O-N 3.24Å; A28-L31 WeakPolarHBondContact O-CB 3.24Å; A28-L31 PolarHBondContact O-N 2.82Å; A28-L31 VanDerWaalsContact O-N 3.16Å
29A96.9Very high96.2Very high13 Ų1364.3 Ų64.311%0.10736%0.364CS..Hα-helixtrans-60-40.6174.300000111.5F18 D25 V26 L31 V32 W36F18-A29 HydrophobicContact CE1-CB 3.66Å; F18-A29 HydrophobicContact CZ-CB 3.69Å; D25-A29 VanDerWaalsContact O-CB 3.27Å; D25-A29 WeakPolarHBondContact O-CB 3.42Å; D25-A29 PolarHBondContact O-N 3.45Å; V26-A29 PolarHBondContact O-N 2.98Å; A29-L31 PolarHBondContact O-N 3.42Å; A29-V32 WeakPolarHBondContact O-CB 3.2Å; A29-V32 VanDerWaalsContact O-CG2 3.31Å; A29-V32 WeakPolarHBondContact O-CG2 3.49Å; A29-V32 PolarHBondContact O-N 3.48Å; A29-W36 HydrophobicContact CB-CE3 3.69Å; A29-W36 HydrophobicContact CB-CZ3 3.86Å
30G96.5Very high96.2Very high3 Ų362 Ų623%0.03135%0.352CS..Hα-helixtrans-58.4-19.7176.500000115V26 L27 A28 V32 Q37V26-G30 PolarHBondContact O-N 3.48Å; L27-G30 PolarHBondContact O-N 2.91Å; A28-G30 VanDerWaalsContact C-N 3.31Å; A28-G30 PolarHBondContact O-N 3.24Å; G30-V32 VanDerWaalsContact C-N 3.34Å; G30-Q37 VanDerWaalsContact O-CA 3.24Å; G30-Q37 WeakPolarHBondContact O-CA 3.38Å; G30-Q37 VanDerWaalsContact O-CB 3.23Å; G30-Q37 WeakPolarHBondContact O-CB 3.41Å; G30-Q37 PolarHBondContact O-N 3.03Å
31L97.3Very high96.2Very high152 Ų15264.3 Ų64.380%0.79635%0.349SS*.THydrogen-bonded Turntrans-83.8-6177.8-58.7176.8000113.7L27 A28 A29L27-L31 PolarHBondContact O-N 2.84Å; A28-L31 WeakPolarHBondContact O-CB 3.24Å; A28-L31 PolarHBondContact O-N 2.82Å; A28-L31 VanDerWaalsContact O-N 3.16Å; A29-L31 PolarHBondContact O-N 3.42Å
32V95.9Very high96.2Very high102 Ų10264.4 Ų64.462%0.61835%0.35SS*.SBendtrans-76.5-48.1-173.4176.60000112.4A29 G30 W36A29-V32 WeakPolarHBondContact O-CB 3.2Å; A29-V32 VanDerWaalsContact O-CG2 3.31Å; A29-V32 WeakPolarHBondContact O-CG2 3.49Å; A29-V32 PolarHBondContact O-N 3.48Å; G30-V32 VanDerWaalsContact C-N 3.34Å; V32-W36 HydrophobicContact CB-CE3 4.1Å; V32-W36 HydrophobicContact CG2-CE3 4.17Å; V32-W36 HydrophobicContact CG2-CZ3 4.38Å
33C94Very high96.2Very high52 Ų5266.3 Ų66.335%0.35135%0.352SS..  trans-155.1166.9-178.776.40000112.1Q35 W36 Q37C33-Q35 VanDerWaalsContact C-N 3.29Å; C33-Q35 PolarHBondContact O-N 2.86Å; C33-W36 PolarHBondContact O-N 3.18Å; C33-W36 VanDerWaalsContact SG-CD1 3.51Å; C33-W36 PolarHBondContact SG-N 3.03Å; C33-Q37 WeakPolarHBondContact O-CB 3.49Å; C33-Q37 PolarHBondContact O-N 3.06Å
34R93.9Very high96.2Very high220 Ų22070.9 Ų70.983%0.8337%0.37SS*.Hα-helixtrans-58.4-37.8-178.2-70.5-174.4179.61730.4113.5A38R34-A38 PolarHBondContact O-N 3.44Å
35Q94.7Very high96.3Very high41 Ų4167.7 Ų67.719%0.19234%0.344CS..Hα-helixtrans-65.6-49.3178.8-171.8-173.715.800110.7L9 D11 C33 Q37 A38 V39L9-Q35 PolarHBondContact O-NE2 3.47Å; D11-Q35 VanDerWaalsContact OD1-CG 3.24Å; D11-Q35 WeakPolarHBondContact OD1-CG 3.46Å; D11-Q35 PolarHBondContact OD1-NE2 3.04Å; C33-Q35 VanDerWaalsContact C-N 3.29Å; C33-Q35 PolarHBondContact O-N 2.86Å; Q35-Q37 VanDerWaalsContact C-N 3.31Å; Q35-Q37 PolarHBondContact O-N 3.16Å; Q35-A38 WeakPolarHBondContact O-CB 3.23Å; Q35-A38 PolarHBondContact O-N 3.42Å; Q35-V39 WeakPolarHBondContact O-CG2 3.31Å; Q35-V39 PolarHBondContact O-N 3.24Å
36W96Very high96.2Very high84 Ų8463.3 Ų63.332%0.31832%0.32SS..Hα-helixtrans-66.3-36.3179.2-74.329.9000111.3V14 F18 A29 V32 C33 A38 V39 S40V14-W36 HydrophobicContact CG1-CG 4.35Å; F18-W36 HydrophobicContact CE1-CD2 4.27Å; F18-W36 HydrophobicContact CE1-CE3 4.02Å; F18-W36 HydrophobicContact CE1-CZ3 4.32Å; F18-W36 HydrophobicContact CZ-CB 4Å; F18-W36 AromaticContact CZ-CD2 3.92Å; F18-W36 HydrophobicContact CZ-CD2 3.92Å; F18-W36 AromaticContact CZ-CE3 3.85Å; F18-W36 HydrophobicContact CZ-CE3 3.85Å; F18-W36 HydrophobicContact CZ-CG 4.02Å; A29-W36 HydrophobicContact CB-CE3 3.69Å; A29-W36 HydrophobicContact CB-CZ3 3.86Å; V32-W36 HydrophobicContact CB-CE3 4.1Å; V32-W36 HydrophobicContact CG2-CE3 4.17Å; V32-W36 HydrophobicContact CG2-CZ3 4.38Å; C33-W36 PolarHBondContact O-N 3.18Å; C33-W36 VanDerWaalsContact SG-CD1 3.51Å; C33-W36 PolarHBondContact SG-N 3.03Å; W36-A38 VanDerWaalsContact C-N 3.34Å; W36-A38 PolarHBondContact O-N 3.29Å; W36-V39 PolarHBondContact O-N 2.93Å; W36-S40 WeakPolarHBondContact O-CB 3.5Å; W36-S40 PolarHBondContact O-N 3.47Å; W36-S40 PolarHBondContact O-OG 3.21Å
37Q96.9Very high96.2Very high106 Ų10667.3 Ų67.350%0.49534%0.335SS..Hα-helixtrans-57.6-47.6172.1-168.7-17719.500111.2G30 C33 Q35 S40 R41G30-Q37 VanDerWaalsContact O-CA 3.24Å; G30-Q37 WeakPolarHBondContact O-CA 3.38Å; G30-Q37 VanDerWaalsContact O-CB 3.23Å; G30-Q37 WeakPolarHBondContact O-CB 3.41Å; G30-Q37 PolarHBondContact O-N 3.03Å; C33-Q37 WeakPolarHBondContact O-CB 3.49Å; C33-Q37 PolarHBondContact O-N 3.06Å; Q35-Q37 VanDerWaalsContact C-N 3.31Å; Q35-Q37 PolarHBondContact O-N 3.16Å; Q37-S40 PolarHBondContact O-N 2.68Å; Q37-S40 PolarHBondContact O-OG 2.92Å; Q37-R41 VanDerWaalsContact O-CG 3.31Å; Q37-R41 WeakPolarHBondContact O-CG 3.27Å; Q37-R41 PolarHBondContact O-N 3.05Å
38A95.8Very high96.2Very high64 Ų6466.1 Ų66.153%0.52933%0.328SS..Hα-helixtrans-62.1-48.4179.300000111.6R34 Q35 W36 S40 R41R34-A38 PolarHBondContact O-N 3.44Å; Q35-A38 WeakPolarHBondContact O-CB 3.23Å; Q35-A38 PolarHBondContact O-N 3.42Å; W36-A38 VanDerWaalsContact C-N 3.34Å; W36-A38 PolarHBondContact O-N 3.29Å; A38-S40 PolarHBondContact O-N 3.06Å; A38-R41 PolarHBondContact O-N 3.43Å
39V96.6Very high96.1Very high11 Ų1163.7 Ų63.77%0.06731%0.307CS..Hα-helixtrans-67-37179.9-179.80000112.1D11 V14 F18 Q35 W36 R41 D42D11-V39 HydrophobicContact CB-CG2 3.97Å; V14-V39 HydrophobicContact CB-CG1 4.2Å; V14-V39 HydrophobicContact CB-CG2 4.27Å; V14-V39 HydrophobicContact CG1-CB 3.98Å; V14-V39 HydrophobicContact CG1-CG1 3.85Å; V14-V39 HydrophobicContact CG1-CG2 4.17Å; F18-V39 HydrophobicContact CD2-CB 4.4Å; F18-V39 HydrophobicContact CD2-CG1 3.89Å; F18-V39 HydrophobicContact CE2-CB 4.2Å; F18-V39 HydrophobicContact CE2-CG1 4.16Å; Q35-V39 WeakPolarHBondContact O-CG2 3.31Å; Q35-V39 PolarHBondContact O-N 3.24Å; W36-V39 PolarHBondContact O-N 2.93Å; V39-R41 PolarHBondContact O-N 3.43Å; V39-R41 VanDerWaalsContact O-N 3.12Å; V39-D42 VanDerWaalsContact O-CB 3.31Å; V39-D42 WeakPolarHBondContact O-CB 3.4Å; V39-D42 PolarHBondContact O-N 3.48Å
40S96.9Very high96Very high3 Ų363.6 Ų63.62%0.02130%0.304CS..Hα-helixtrans-64.9-14176.873.60000113.6W36 Q37 A38 W46W36-S40 WeakPolarHBondContact O-CB 3.5Å; W36-S40 PolarHBondContact O-N 3.47Å; W36-S40 PolarHBondContact O-OG 3.21Å; Q37-S40 PolarHBondContact O-N 2.68Å; Q37-S40 PolarHBondContact O-OG 2.92Å; A38-S40 PolarHBondContact O-N 3.06Å; S40-W46 PolarHBondContact O-NE1 3.01Å
41R95.3Very high96Very high125 Ų12564.5 Ų64.547%0.47231%0.307SS..THydrogen-bonded Turntrans-105.811.6-179.5-66.1-73.2179.5171.5-4.9112.3Q37 A38 V39 Y70Q37-R41 VanDerWaalsContact O-CG 3.31Å; Q37-R41 WeakPolarHBondContact O-CG 3.27Å; Q37-R41 PolarHBondContact O-N 3.05Å; A38-R41 PolarHBondContact O-N 3.43Å; V39-R41 PolarHBondContact O-N 3.43Å; V39-R41 VanDerWaalsContact O-N 3.12Å; R41-Y70 PolarHBondContact NH1-OH 3.08Å
42D96.8Very high95.8Very high52 Ų5264.5 Ų64.528%0.27830%0.296SS..  trans-69.2136179.9-179.3-95.3000112.8Y15 V39 F44 L45 W46Y15-D42 WeakPolarHBondContact CE2-OD1 3.33Å; V39-D42 VanDerWaalsContact O-CB 3.31Å; V39-D42 WeakPolarHBondContact O-CB 3.4Å; V39-D42 PolarHBondContact O-N 3.48Å; D42-F44 PolarHBondContact O-N 3.02Å; D42-F44 WeakPolarHBondContact OD1-CA 3.39Å; D42-F44 WeakPolarHBondContact OD1-CB 3.09Å; D42-F44 PolarHBondContact OD1-N 2.98Å; D42-L45 HydrophobicContact CB-CB 4.02Å; D42-L45 WeakPolarHBondContact O-CB 3.4Å; D42-L45 PolarHBondContact O-N 3.42Å; D42-L45 PolarHBondContact OD1-N 2.96Å; D42-W46 VanDerWaalsContact O-CD1 3.27Å; D42-W46 PolarHBondContact O-N 2.88Å
43E95.8Very high95.8Very high66 Ų6664.9 Ų64.931%0.30829%0.287SS..Hα-helixtrans-65.8-38.8-177.3-80.4-62.9101.800113.2L45 W46 R47 R62 S68 W69E43-L45 VanDerWaalsContact C-N 3.35Å; E43-W46 PolarHBondContact O-N 3.5Å; E43-R47 WeakPolarHBondContact O-CB 3.47Å; E43-R47 PolarHBondContact O-N 3.46Å; E43-R62 IonicContact OE2-NH1 2.78Å; E43-S68 WeakPolarHBondContact OE1-CB 3.41Å; E43-S68 WeakPolarHBondContact OE2-CA 3.38Å; E43-W69 PolarHBondContact OE1-N 3.49Å; E43-W69 PolarHBondContact OE2-N 3.37Å
44F95.8Very high95.7Very high115 Ų11565.4 Ų65.450%0.50428%0.282SS..Hα-helixtrans-72.1-35.9-179-61.5-78.1000110.8Y15 D42 R47 E48Y15-F44 HydrophobicContact CE2-CB 4.43Å; D42-F44 PolarHBondContact O-N 3.02Å; D42-F44 WeakPolarHBondContact OD1-CA 3.39Å; D42-F44 WeakPolarHBondContact OD1-CB 3.09Å; D42-F44 PolarHBondContact OD1-N 2.98Å; F44-R47 PolarHBondContact O-N 3.23Å; F44-E48 WeakPolarHBondContact O-CG 3.41Å; F44-E48 PolarHBondContact O-N 2.85Å
45L97.3Very high95.8Very high0 Ų063.4 Ų63.40%028%0.282CS..Hα-helixtrans-57-53.9172.6-173.8152.5000110.5Y15 F18 V26 D42 E43 R47 E48 Q49Y15-L45 HydrophobicContact CD2-CB 4.17Å; Y15-L45 HydrophobicContact CD2-CD1 4.24Å; Y15-L45 HydrophobicContact CE2-CB 3.69Å; Y15-L45 HydrophobicContact CE2-CG 4.5Å; F18-L45 HydrophobicContact CB-CD1 3.5Å; F18-L45 HydrophobicContact CD2-CD1 3.96Å; F18-L45 HydrophobicContact CG-CD1 4.27Å; V26-L45 HydrophobicContact CG1-CD1 4.38Å; V26-L45 HydrophobicContact CG1-CD2 3.89Å; D42-L45 HydrophobicContact CB-CB 4.02Å; D42-L45 WeakPolarHBondContact O-CB 3.4Å; D42-L45 PolarHBondContact O-N 3.42Å; D42-L45 PolarHBondContact OD1-N 2.96Å; E43-L45 VanDerWaalsContact C-N 3.35Å; L45-R47 VanDerWaalsContact C-N 3.3Å; L45-R47 PolarHBondContact O-N 3.42Å; L45-E48 PolarHBondContact O-N 3.49Å; L45-Q49 WeakPolarHBondContact O-CB 3.31Å; L45-Q49 PolarHBondContact O-N 3.38Å
46W97.1Very high95.6Very high2 Ų264 Ų641%0.00829%0.289CS..Hα-helixtrans-68.4-28.8-178-77.1102.6000113.2P23 V26 L27 S40 D42 E43 Q49 F50 W69 Y70 F73P23-W46 HydrophobicContact CB-CH2 4.17Å; P23-W46 HydrophobicContact CB-CZ3 3.99Å; V26-W46 HydrophobicContact CG1-CZ2 4.41Å; L27-W46 HydrophobicContact CD1-CH2 4.12Å; L27-W46 HydrophobicContact CD2-CH2 4.09Å; L27-W46 HydrophobicContact CD2-CZ2 3.7Å; L27-W46 HydrophobicContact CG-CH2 3.88Å; L27-W46 HydrophobicContact CG-CZ2 3.93Å; S40-W46 PolarHBondContact O-NE1 3.01Å; D42-W46 VanDerWaalsContact O-CD1 3.27Å; D42-W46 PolarHBondContact O-N 2.88Å; E43-W46 PolarHBondContact O-N 3.5Å; W46-Q49 HydrophobicContact CE3-CB 4.39Å; W46-Q49 PolarHBondContact O-N 3.17Å; W46-F50 VanDerWaalsContact O-CB 3.27Å; W46-F50 WeakPolarHBondContact O-CB 3.24Å; W46-F50 PolarHBondContact O-N 2.71Å; W46-W69 HydrophobicContact CB-CB 3.89Å; W46-Y70 AromaticContact CD1-CD2 3.97Å; W46-Y70 AromaticContact CD2-CD2 3.63Å; W46-Y70 HydrophobicContact CD2-CD2 3.63Å; W46-Y70 HydrophobicContact CD2-CE2 4.49Å; W46-Y70 HydrophobicContact CD2-CG 4.48Å; W46-Y70 AromaticContact CE2-CD2 3.34Å; W46-Y70 AromaticContact CE2-CE2 3.94Å; W46-Y70 HydrophobicContact CE3-CD2 4.12Å; W46-Y70 HydrophobicContact CG-CD2 4.05Å; W46-Y70 HydrophobicContact CH2-CD2 4.11Å; W46-Y70 HydrophobicContact CH2-CE2 4.03Å; W46-Y70 AromaticContact CZ2-CD2 3.63Å; W46-Y70 HydrophobicContact CZ2-CD2 3.63Å; W46-Y70 AromaticContact CZ2-CE2 3.71Å; W46-Y70 HydrophobicContact CZ2-CE2 3.71Å; W46-Y70 HydrophobicContact CZ3-CD2 4.32Å; W46-Y70 AromaticContact NE1-CD2 3.55Å; W46-F73 HydrophobicContact CE3-CB 4Å; W46-F73 HydrophobicContact CE3-CD1 4.18Å; W46-F73 HydrophobicContact CE3-CD2 4.05Å; W46-F73 AromaticContact CE3-CG 3.8Å; W46-F73 HydrophobicContact CE3-CG 3.8Å; W46-F73 HydrophobicContact CZ3-CB 4.37Å; W46-F73 AromaticContact CZ3-CD1 3.71Å; W46-F73 HydrophobicContact CZ3-CD1 3.71Å; W46-F73 HydrophobicContact CZ3-CD2 4.21Å; W46-F73 HydrophobicContact CZ3-CE1 4.07Å; W46-F73 AromaticContact CZ3-CG 3.83Å; W46-F73 HydrophobicContact CZ3-CG 3.83Å; W46-F73 HydrophobicContact CZ3-CZ 4.47Å
47R96.1Very high95.5Very high83 Ų8362.7 Ų62.731%0.31330%0.296SS..Hα-helixtrans-61.9-51169.5-175.8-178.875.8-172.51.7112.1E43 F44 L45 Q49 F50 Y51 W69E43-R47 WeakPolarHBondContact O-CB 3.47Å; E43-R47 PolarHBondContact O-N 3.46Å; F44-R47 PolarHBondContact O-N 3.23Å; L45-R47 VanDerWaalsContact C-N 3.3Å; L45-R47 PolarHBondContact O-N 3.42Å; R47-Q49 VanDerWaalsContact C-N 3.27Å; R47-Q49 PolarHBondContact O-N 3.41Å; R47-F50 WeakPolarHBondContact O-CB 3.31Å; R47-F50 PolarHBondContact O-N 2.85Å; R47-Y51 HydrophobicContact CG-CD2 3.98Å; R47-Y51 HydrophobicContact CG-CE2 3.58Å; R47-Y51 WeakPolarHBondContact O-CD2 3.4Å; R47-Y51 PolarHBondContact O-N 3.2Å; R47-W69 HydrophobicContact CB-CB 4.38Å; R47-W69 HydrophobicContact CB-CD2 3.71Å; R47-W69 HydrophobicContact CB-CE3 4.38Å; R47-W69 HydrophobicContact CB-CG 3.69Å; R47-W69 HydrophobicContact CB-CZ2 4.47Å; R47-W69 HydrophobicContact CG-CD2 3.83Å; R47-W69 VanDerWaalsContact CG-CE2 3.45Å; R47-W69 HydrophobicContact CG-CE3 4.35Å; R47-W69 HydrophobicContact CG-CG 4.28Å; R47-W69 HydrophobicContact CG-CH2 4.23Å; R47-W69 HydrophobicContact CG-CZ2 3.67Å
48E96.1Very high95.3Very high37 Ų3765.5 Ų65.517%0.17330%0.302CS..Hα-helixtrans-63.7-38.7178.7-66.9-58.2136.400110.8L19 F44 L45 F50 Y51 R52 R58L19-E48 HydrophobicContact CD2-CB 3.81Å; L19-E48 HydrophobicContact CD2-CG 4.16Å; F44-E48 WeakPolarHBondContact O-CG 3.41Å; F44-E48 PolarHBondContact O-N 2.85Å; L45-E48 PolarHBondContact O-N 3.49Å; E48-F50 PolarHBondContact O-N 2.89Å; E48-Y51 PolarHBondContact O-N 3.18Å; E48-R52 VanDerWaalsContact O-CB 3.27Å; E48-R52 WeakPolarHBondContact O-CB 2.98Å; E48-R52 PolarHBondContact O-N 3.48Å; E48-R58 IonicContact OE1-CZ 3.85Å; E48-R58 IonicContact OE1-NH1 2.92Å; E48-R58 PolarHBondContact OE1-NH1 3.48Å; E48-R58 IonicContact OE1-NH2 3.98Å; E48-R58 IonicContact OE2-CZ 3.25Å; E48-R58 VanDerWaalsContact OE2-CZ 3.25Å; E48-R58 IonicContact OE2-NH1 3.06Å; E48-R58 PolarHBondContact OE2-NH1 3.49Å; E48-R58 IonicContact OE2-NH2 2.68Å; E48-R58 PolarHBondContact OE2-NH2 3.49Å
49Q95.8Very high95Very high7 Ų768.8 Ų68.83%0.03331%0.31CS..Hα-helixtrans-64.7-39.7176.9-156.767.1-8.200112.6L21 P23 L45 W46 R47 R52 Y53 F73L21-Q49 PolarHBondContact O-NE2 3.12Å; P23-Q49 HydrophobicContact CB-CG 4.04Å; P23-Q49 HydrophobicContact CG-CG 3.77Å; L45-Q49 WeakPolarHBondContact O-CB 3.31Å; L45-Q49 PolarHBondContact O-N 3.38Å; W46-Q49 HydrophobicContact CE3-CB 4.39Å; W46-Q49 PolarHBondContact O-N 3.17Å; R47-Q49 VanDerWaalsContact C-N 3.27Å; R47-Q49 PolarHBondContact O-N 3.41Å; Q49-R52 PolarHBondContact O-N 3.46Å; Q49-Y53 WeakPolarHBondContact O-CB 3.43Å; Q49-Y53 PolarHBondContact O-N 3.1Å; Q49-F73 HydrophobicContact CG-CE2 4.28Å
50F95.7Very high94.7Very high10 Ų1071 Ų714%0.04432%0.324CS..Hα-helixtrans-57.7-54.8175.3-178.7-84.9000111.6W46 R47 E48 R52 Y53 Y54 W69 E72 F73 L76W46-F50 VanDerWaalsContact O-CB 3.27Å; W46-F50 WeakPolarHBondContact O-CB 3.24Å; W46-F50 PolarHBondContact O-N 2.71Å; R47-F50 WeakPolarHBondContact O-CB 3.31Å; R47-F50 PolarHBondContact O-N 2.85Å; E48-F50 PolarHBondContact O-N 2.89Å; F50-R52 VanDerWaalsContact C-N 3.34Å; F50-R52 PolarHBondContact O-N 3.22Å; F50-Y53 PolarHBondContact O-N 3.23Å; F50-Y54 HydrophobicContact CD1-CD2 4.48Å; F50-Y54 AromaticContact CD2-CD2 3.75Å; F50-Y54 HydrophobicContact CD2-CD2 3.75Å; F50-Y54 AromaticContact CD2-CE2 3.84Å; F50-Y54 HydrophobicContact CD2-CE2 3.84Å; F50-Y54 AromaticContact CE2-CD2 3.84Å; F50-Y54 HydrophobicContact CE2-CD2 3.84Å; F50-Y54 AromaticContact CE2-CE2 3.95Å; F50-Y54 HydrophobicContact CE2-CE2 3.95Å; F50-Y54 HydrophobicContact CG-CD2 4.09Å; F50-Y54 HydrophobicContact CZ-CD2 4.24Å; F50-Y54 WeakPolarHBondContact O-CD2 3.3Å; F50-Y54 PolarHBondContact O-N 3.27Å; F50-W69 HydrophobicContact CB-CE3 3.94Å; F50-W69 HydrophobicContact CB-CZ3 4.05Å; F50-W69 HydrophobicContact CD1-CE3 4.27Å; F50-W69 HydrophobicContact CD1-CH2 4.42Å; F50-W69 AromaticContact CD1-CZ3 3.54Å; F50-W69 HydrophobicContact CD1-CZ3 3.54Å; F50-W69 HydrophobicContact CD2-CE3 4.25Å; F50-W69 HydrophobicContact CD2-CZ3 4.15Å; F50-W69 AromaticContact CE1-CZ3 3.97Å; F50-W69 HydrophobicContact CE1-CZ3 3.97Å; F50-W69 HydrophobicContact CE2-CZ3 4.5Å; F50-W69 AromaticContact CG-CE3 3.91Å; F50-W69 HydrophobicContact CG-CE3 3.91Å; F50-W69 AromaticContact CG-CZ3 3.65Å; F50-W69 HydrophobicContact CG-CZ3 3.65Å; F50-W69 HydrophobicContact CZ-CZ3 4.43Å; F50-E72 HydrophobicContact CD2-CG 4.41Å; F50-E72 HydrophobicContact CE2-CG 3.81Å; F50-E72 HydrophobicContact CZ-CG 4.46Å; F50-F73 HydrophobicContact CB-CD2 4.11Å; F50-F73 HydrophobicContact CD2-CB 4.43Å; F50-F73 HydrophobicContact CD2-CD2 4.25Å; F50-L76 HydrophobicContact CE2-CD1 3.51Å; F50-L76 HydrophobicContact CZ-CD1 3.76Å
51Y95.6Very high94.4Very high23 Ų2375.9 Ų75.99%0.0936%0.355CS..Hα-helixtrans-65.7-38-178.4-68.3-61.3000112.3R47 E48 Q55 V56 A57 R58 V60 W69R47-Y51 HydrophobicContact CG-CD2 3.98Å; R47-Y51 HydrophobicContact CG-CE2 3.58Å; R47-Y51 WeakPolarHBondContact O-CD2 3.4Å; R47-Y51 PolarHBondContact O-N 3.2Å; E48-Y51 PolarHBondContact O-N 3.18Å; Y51-Q55 VanDerWaalsContact O-CA 3.31Å; Y51-Q55 WeakPolarHBondContact O-CA 3.46Å; Y51-Q55 PolarHBondContact O-N 3.22Å; Y51-V56 HydrophobicContact CD1-CB 4.46Å; Y51-V56 WeakPolarHBondContact CD1-O 3.41Å; Y51-V56 PolarHBondContact O-N 3.4Å; Y51-A57 VanDerWaalsContact CE1-O 3.29Å; Y51-A57 WeakPolarHBondContact CE1-O 3.39Å; Y51-R58 HydrophobicContact CD1-CG 4.48Å; Y51-R58 HydrophobicContact CD2-CG 4.29Å; Y51-R58 HydrophobicContact CG-CG 4.23Å; Y51-R58 PolarHBondContact OH-O 2.98Å; Y51-V60 PolarHBondContact OH-O 2.77Å; Y51-W69 HydrophobicContact CE1-CH2 4.46Å; Y51-W69 AromaticContact CE2-CH2 3.95Å; Y51-W69 HydrophobicContact CE2-CH2 3.95Å; Y51-W69 HydrophobicContact CE2-CZ2 4.31Å; Y51-W69 AromaticContact CZ-CH2 3.66Å; Y51-W69 VanDerWaalsContact OH-CH2 3.3Å; Y51-W69 WeakPolarHBondContact OH-CH2 3.29Å
52R94.4Very high94.3Very high151 Ų15173.4 Ų73.457%0.5735%0.346SS*.Hα-helixtrans-67.9-42.9177.9-175.6179173.4-164.9-5.8112.2L19 S20 E48 Q49 F50L19-R52 PolarHBondContact O-NH1 2.74Å; S20-R52 PolarHBondContact O-NH1 3.48Å; E48-R52 VanDerWaalsContact O-CB 3.27Å; E48-R52 WeakPolarHBondContact O-CB 2.98Å; E48-R52 PolarHBondContact O-N 3.48Å; Q49-R52 PolarHBondContact O-N 3.46Å; F50-R52 VanDerWaalsContact C-N 3.34Å; F50-R52 PolarHBondContact O-N 3.22Å
53Y94.9Very high93.8Very high110 Ų11074.7 Ų74.743%0.43135%0.35SS..Hα-helixtrans-73.8-49.6-175.7-173.5-92.5000112.1P23 Q49 F50 Q55 F73 Y77P23-Y53 HydrophobicContact CG-CD2 3.66Å; P23-Y53 HydrophobicContact CG-CE2 4.14Å; P23-Y53 HydrophobicContact CG-CG 4.29Å; Q49-Y53 WeakPolarHBondContact O-CB 3.43Å; Q49-Y53 PolarHBondContact O-N 3.1Å; F50-Y53 PolarHBondContact O-N 3.23Å; Y53-Q55 VanDerWaalsContact C-N 3.33Å; Y53-F73 HydrophobicContact CD1-CE2 4.11Å; Y53-F73 AromaticContact CD1-CZ 3.78Å; Y53-F73 HydrophobicContact CD1-CZ 3.78Å; Y53-F73 HydrophobicContact CD2-CZ 4.23Å; Y53-F73 HydrophobicContact CE1-CZ 4.32Å; Y53-F73 AromaticContact CG-CE2 3.97Å; Y53-F73 HydrophobicContact CG-CE2 3.97Å; Y53-F73 AromaticContact CG-CZ 3.74Å; Y53-F73 HydrophobicContact CG-CZ 3.74Å; Y53-Y77 HydrophobicContact CE1-CD2 4.16Å; Y53-Y77 HydrophobicContact CE1-CE2 4.33Å; Y53-Y77 AromaticContact CZ-CE2 3.91Å; Y53-Y77 WeakPolarHBondContact OH-CE2 3.49Å
54Y93.1Very high93.4Very high63 Ų6377.4 Ų77.425%0.24737%0.373CS..Hα-helixtrans-84.5-5.8-178.2-66.6-71000113.6F50 V56 F73 L76 Y77F50-Y54 HydrophobicContact CD1-CD2 4.48Å; F50-Y54 AromaticContact CD2-CD2 3.75Å; F50-Y54 HydrophobicContact CD2-CD2 3.75Å; F50-Y54 AromaticContact CD2-CE2 3.84Å; F50-Y54 HydrophobicContact CD2-CE2 3.84Å; F50-Y54 AromaticContact CE2-CD2 3.84Å; F50-Y54 HydrophobicContact CE2-CD2 3.84Å; F50-Y54 AromaticContact CE2-CE2 3.95Å; F50-Y54 HydrophobicContact CE2-CE2 3.95Å; F50-Y54 HydrophobicContact CG-CD2 4.09Å; F50-Y54 HydrophobicContact CZ-CD2 4.24Å; F50-Y54 WeakPolarHBondContact O-CD2 3.3Å; F50-Y54 PolarHBondContact O-N 3.27Å; Y54-V56 WeakPolarHBondContact O-CG2 3.43Å; Y54-V56 PolarHBondContact O-N 3.31Å; Y54-F73 HydrophobicContact CD2-CE2 4.41Å; Y54-F73 AromaticContact CE2-CD2 3.92Å; Y54-F73 HydrophobicContact CE2-CD2 3.92Å; Y54-F73 AromaticContact CE2-CE2 3.89Å; Y54-F73 HydrophobicContact CE2-CE2 3.89Å; Y54-F73 HydrophobicContact CE2-CG 4.38Å; Y54-F73 HydrophobicContact CE2-CZ 4.31Å; Y54-F73 PolarHBondContact OH-O 2.69Å; Y54-L76 HydrophobicContact CE1-CB 4.21Å; Y54-L76 HydrophobicContact CE2-CB 4.19Å; Y54-L76 HydrophobicContact CE2-CD1 4.22Å; Y54-L76 VanDerWaalsContact OH-CB 3.25Å; Y54-L76 WeakPolarHBondContact OH-CB 3.16Å; Y54-Y77 WeakPolarHBondContact OH-CA 3.14Å; Y54-Y77 PolarHBondContact OH-N 2.78Å
55Q94.5Very high92.9Very high179 Ų17975.7 Ų75.784%0.83638%0.381SS*.THydrogen-bonded Turntrans54.638.9179.8-56.5-178.49.200113.3Y51 Y53Y51-Q55 VanDerWaalsContact O-CA 3.31Å; Y51-Q55 WeakPolarHBondContact O-CA 3.46Å; Y51-Q55 PolarHBondContact O-N 3.22Å; Y53-Q55 VanDerWaalsContact C-N 3.33Å
56V91.9Very high92.5Very high53 Ų5376.2 Ų76.232%0.32139%0.385SS..  trans-95.6148.1-178.5-164.50000109.9Y51 Y54 V60Y51-V56 HydrophobicContact CD1-CB 4.46Å; Y51-V56 WeakPolarHBondContact CD1-O 3.41Å; Y51-V56 PolarHBondContact O-N 3.4Å; Y54-V56 WeakPolarHBondContact O-CG2 3.43Å; Y54-V56 PolarHBondContact O-N 3.31Å; V56-V60 HydrophobicContact CG1-CB 3.72Å; V56-V60 HydrophobicContact CG1-CG1 4.03Å; V56-V60 HydrophobicContact CG1-CG2 3.47Å; V56-V60 VanDerWaalsContact CG1-CG2 3.47Å
57A93.3Very high92.2Very high57 Ų5783.4 Ų83.447%0.47142%0.421SS..  trans-62.2143.5174.500000111.5Y51 D59 V60Y51-A57 VanDerWaalsContact CE1-O 3.29Å; Y51-A57 WeakPolarHBondContact CE1-O 3.39Å; A57-D59 WeakPolarHBondContact CB-OD1 3.27Å; A57-D59 PolarHBondContact O-N 3.45Å; A57-V60 WeakPolarHBondContact O-CB 3.05Å; A57-V60 PolarHBondContact O-N 3.44Å; A57-V60 VanDerWaalsContact O-N 3.1Å
58R92.4Very high92.2Very high164 Ų16480.4 Ų80.462%0.61941%0.412SS*.THydrogen-bonded Turntrans-69.5-13.7-173.2-71.1-176177.9-115-3.8114.2E48 Y51 V60E48-R58 IonicContact OE1-CZ 3.85Å; E48-R58 IonicContact OE1-NH1 2.92Å; E48-R58 PolarHBondContact OE1-NH1 3.48Å; E48-R58 IonicContact OE1-NH2 3.98Å; E48-R58 IonicContact OE2-CZ 3.25Å; E48-R58 VanDerWaalsContact OE2-CZ 3.25Å; E48-R58 IonicContact OE2-NH1 3.06Å; E48-R58 PolarHBondContact OE2-NH1 3.49Å; E48-R58 IonicContact OE2-NH2 2.68Å; E48-R58 PolarHBondContact OE2-NH2 3.49Å; Y51-R58 HydrophobicContact CD1-CG 4.48Å; Y51-R58 HydrophobicContact CD2-CG 4.29Å; Y51-R58 HydrophobicContact CG-CG 4.23Å; Y51-R58 PolarHBondContact OH-O 2.98Å; R58-V60 VanDerWaalsContact C-N 3.3Å
59D90.6Very high92.1Very high133 Ų13380.1 Ų80.171%0.71141%0.41SS*.THydrogen-bonded Turntrans-78-16.8174.363.6-33.1000112.4A57 P61A57-D59 WeakPolarHBondContact CB-OD1 3.27Å; A57-D59 PolarHBondContact O-N 3.45Å; D59-P61 VanDerWaalsContact O-CD 3.31Å; D59-P61 WeakPolarHBondContact O-CD 3.24Å
60V89.9Confident92.1Very high59 Ų5981.6 Ų81.636%0.35842%0.415SS..SBendtrans-67.7117.3174.3179.10000109.2Y51 V56 A57 R58Y51-V60 PolarHBondContact OH-O 2.77Å; V56-V60 HydrophobicContact CG1-CB 3.72Å; V56-V60 HydrophobicContact CG1-CG1 4.03Å; V56-V60 HydrophobicContact CG1-CG2 3.47Å; V56-V60 VanDerWaalsContact CG1-CG2 3.47Å; A57-V60 WeakPolarHBondContact O-CB 3.05Å; A57-V60 PolarHBondContact O-N 3.44Å; A57-V60 VanDerWaalsContact O-N 3.1Å; R58-V60 VanDerWaalsContact C-N 3.3Å
61P90.8Very high92Very high104 Ų10485.5 Ų85.568%0.67543%0.433SS*.PPolyproline II helixtrans-74157.9-178.131.5-35.2000111.1D59D59-P61 VanDerWaalsContact O-CD 3.31Å; D59-P61 WeakPolarHBondContact O-CD 3.24Å
62R92.1Very high92Very high73 Ų7384.8 Ų84.828%0.27543%0.431SS..PPolyproline II helixtrans-58.6143.6165.8-167.5-173.470.7-176.84.9109.6E43 A66 M67 S68 W69 E72E43-R62 IonicContact OE2-NH1 2.78Å; R62-A66 HydrophobicContact CG-CB 4.25Å; R62-A66 PolarHBondContact NE-O 2.93Å; R62-A66 PolarHBondContact NH2-O 2.86Å; R62-M67 PolarHBondContact NH1-O 3.41Å; R62-M67 PolarHBondContact NH2-O 3.5Å; R62-S68 VanDerWaalsContact NH1-C 3.35Å; R62-W69 HydrophobicContact CB-CD2 4.38Å; R62-W69 HydrophobicContact CB-CE3 4.41Å; R62-W69 HydrophobicContact CB-CH2 3.8Å; R62-W69 HydrophobicContact CB-CZ2 3.76Å; R62-W69 HydrophobicContact CB-CZ3 4.12Å; R62-W69 HydrophobicContact CG-CD2 4.27Å; R62-W69 HydrophobicContact CG-CE3 4.21Å; R62-W69 HydrophobicContact CG-CH2 4.45Å; R62-W69 HydrophobicContact CG-CZ3 4.29Å; R62-E72 HydrophobicContact CG-CB 3.82Å; R62-E72 HydrophobicContact CG-CG 3.89Å
63H87.6Confident92Very high80 Ų8078 Ų7837%0.3741%0.406SS..PPolyproline II helixtrans-52.9132.8174-171.7-91.7000111.5A65 A66 E72H63-A65 WeakPolarHBondContact ND1-CB 3.42Å; H63-A65 PolarHBondContact ND1-N 3.23Å; H63-A65 VanDerWaalsContact ND1-N 3.19Å; H63-A65 PolarHBondContact O-N 3.46Å; H63-A66 PolarHBondContact O-N 3.06Å; H63-A66 VanDerWaalsContact O-N 3.13Å; H63-E72 VanDerWaalsContact CB-CD 3.44Å; H63-E72 HydrophobicContact CB-CG 4.45Å; H63-E72 WeakPolarHBondContact CB-OE1 3.36Å; H63-E72 VanDerWaalsContact CB-OE2 3.27Å; H63-E72 WeakPolarHBondContact CB-OE2 2.98Å
64P86.4Confident91.9Very high122 Ų12276.5 Ų76.579%0.79240%0.402SS*.THydrogen-bonded Turntrans-60.1-29.8-173.9-26.634.3000114.9
65A85.4Confident91.8Very high80 Ų8078 Ų7866%0.66141%0.407SS*.THydrogen-bonded Turntrans-84-10.8-178.900000114.4H63H63-A65 WeakPolarHBondContact ND1-CB 3.42Å; H63-A65 PolarHBondContact ND1-N 3.23Å; H63-A65 VanDerWaalsContact ND1-N 3.19Å; H63-A65 PolarHBondContact O-N 3.46Å
66A88.5Confident91.7Very high10 Ų1071.2 Ų71.28%0.08338%0.377CS..  trans-78.6140.7176.400000109.8R62 H63 E72R62-A66 HydrophobicContact CG-CB 4.25Å; R62-A66 PolarHBondContact NE-O 2.93Å; R62-A66 PolarHBondContact NH2-O 2.86Å; H63-A66 PolarHBondContact O-N 3.06Å; H63-A66 VanDerWaalsContact O-N 3.13Å; A66-E72 HydrophobicContact CB-CB 3.71Å; A66-E72 HydrophobicContact CB-CG 4.47Å
67M91.1Very high91.7Very high154 Ų15474.7 Ų74.776%0.75939%0.385SS*.SBendtrans-87.5-29.2178.5-57.1-72.2-70.400112R62 E71R62-M67 PolarHBondContact NH1-O 3.41Å; R62-M67 PolarHBondContact NH2-O 3.5Å; M67-E71 WeakPolarHBondContact CA-OE2 3.25Å; M67-E71 WeakPolarHBondContact CB-OE2 3.36Å; M67-E71 PolarHBondContact N-OE2 3.4Å
68S95.2Very high91.6Very high19 Ų1976.9 Ų76.913%0.13339%0.389CS..SBendtrans-134.2158.9-17952.60000112.6E43 R62 Y70 E71 E72E43-S68 WeakPolarHBondContact OE1-CB 3.41Å; E43-S68 WeakPolarHBondContact OE2-CA 3.38Å; R62-S68 VanDerWaalsContact NH1-C 3.35Å; S68-Y70 PolarHBondContact O-N 3.39Å; S68-E71 PolarHBondContact O-N 3.41Å; S68-E71 VanDerWaalsContact OG-CB 3.23Å; S68-E71 WeakPolarHBondContact OG-CB 3.31Å; S68-E71 WeakPolarHBondContact OG-CG 3.27Å; S68-E71 PolarHBondContact OG-N 3.37Å; S68-E72 PolarHBondContact O-N 2.86Å; S68-E72 VanDerWaalsContact O-N 3.09Å
69W95.9Very high91.4Very high32 Ų3273.2 Ų73.212%0.12139%0.385CS..Hα-helixtrans-62.7-34.3168.6-83.4103.1000112.1E43 W46 R47 F50 Y51 R62 E72 F73E43-W69 PolarHBondContact OE1-N 3.49Å; E43-W69 PolarHBondContact OE2-N 3.37Å; W46-W69 HydrophobicContact CB-CB 3.89Å; R47-W69 HydrophobicContact CB-CB 4.38Å; R47-W69 HydrophobicContact CB-CD2 3.71Å; R47-W69 HydrophobicContact CB-CE3 4.38Å; R47-W69 HydrophobicContact CB-CG 3.69Å; R47-W69 HydrophobicContact CB-CZ2 4.47Å; R47-W69 HydrophobicContact CG-CD2 3.83Å; R47-W69 VanDerWaalsContact CG-CE2 3.45Å; R47-W69 HydrophobicContact CG-CE3 4.35Å; R47-W69 HydrophobicContact CG-CG 4.28Å; R47-W69 HydrophobicContact CG-CH2 4.23Å; R47-W69 HydrophobicContact CG-CZ2 3.67Å; F50-W69 HydrophobicContact CB-CE3 3.94Å; F50-W69 HydrophobicContact CB-CZ3 4.05Å; F50-W69 HydrophobicContact CD1-CE3 4.27Å; F50-W69 HydrophobicContact CD1-CH2 4.42Å; F50-W69 AromaticContact CD1-CZ3 3.54Å; F50-W69 HydrophobicContact CD1-CZ3 3.54Å; F50-W69 HydrophobicContact CD2-CE3 4.25Å; F50-W69 HydrophobicContact CD2-CZ3 4.15Å; F50-W69 AromaticContact CE1-CZ3 3.97Å; F50-W69 HydrophobicContact CE1-CZ3 3.97Å; F50-W69 HydrophobicContact CE2-CZ3 4.5Å; F50-W69 AromaticContact CG-CE3 3.91Å; F50-W69 HydrophobicContact CG-CE3 3.91Å; F50-W69 AromaticContact CG-CZ3 3.65Å; F50-W69 HydrophobicContact CG-CZ3 3.65Å; F50-W69 HydrophobicContact CZ-CZ3 4.43Å; Y51-W69 HydrophobicContact CE1-CH2 4.46Å; Y51-W69 AromaticContact CE2-CH2 3.95Å; Y51-W69 HydrophobicContact CE2-CH2 3.95Å; Y51-W69 HydrophobicContact CE2-CZ2 4.31Å; Y51-W69 AromaticContact CZ-CH2 3.66Å; Y51-W69 VanDerWaalsContact OH-CH2 3.3Å; Y51-W69 WeakPolarHBondContact OH-CH2 3.29Å; R62-W69 HydrophobicContact CB-CD2 4.38Å; R62-W69 HydrophobicContact CB-CE3 4.41Å; R62-W69 HydrophobicContact CB-CH2 3.8Å; R62-W69 HydrophobicContact CB-CZ2 3.76Å; R62-W69 HydrophobicContact CB-CZ3 4.12Å; R62-W69 HydrophobicContact CG-CD2 4.27Å; R62-W69 HydrophobicContact CG-CE3 4.21Å; R62-W69 HydrophobicContact CG-CH2 4.45Å; R62-W69 HydrophobicContact CG-CZ3 4.29Å; W69-E72 PolarHBondContact O-N 3.28Å; W69-F73 WeakPolarHBondContact O-CB 3.11Å; W69-F73 PolarHBondContact O-N 3.43Å
70Y94.9Very high91.2Very high38 Ų3870.6 Ų70.615%0.14937%0.374CS..Hα-helixtrans-60.3-50.4173.3174.7-99.7000112.1L27 R41 W46 S68 E72 F73 Q74L27-Y70 HydrophobicContact CD2-CE2 4.01Å; R41-Y70 PolarHBondContact NH1-OH 3.08Å; W46-Y70 AromaticContact CD1-CD2 3.97Å; W46-Y70 AromaticContact CD2-CD2 3.63Å; W46-Y70 HydrophobicContact CD2-CD2 3.63Å; W46-Y70 HydrophobicContact CD2-CE2 4.49Å; W46-Y70 HydrophobicContact CD2-CG 4.48Å; W46-Y70 AromaticContact CE2-CD2 3.34Å; W46-Y70 AromaticContact CE2-CE2 3.94Å; W46-Y70 HydrophobicContact CE3-CD2 4.12Å; W46-Y70 HydrophobicContact CG-CD2 4.05Å; W46-Y70 HydrophobicContact CH2-CD2 4.11Å; W46-Y70 HydrophobicContact CH2-CE2 4.03Å; W46-Y70 AromaticContact CZ2-CD2 3.63Å; W46-Y70 HydrophobicContact CZ2-CD2 3.63Å; W46-Y70 AromaticContact CZ2-CE2 3.71Å; W46-Y70 HydrophobicContact CZ2-CE2 3.71Å; W46-Y70 HydrophobicContact CZ3-CD2 4.32Å; W46-Y70 AromaticContact NE1-CD2 3.55Å; S68-Y70 PolarHBondContact O-N 3.39Å; Y70-E72 VanDerWaalsContact C-N 3.32Å; Y70-E72 PolarHBondContact O-N 2.83Å; Y70-F73 PolarHBondContact O-N 2.7Å; Y70-Q74 VanDerWaalsContact CE1-OE1 3.26Å; Y70-Q74 WeakPolarHBondContact O-CB 3.18Å; Y70-Q74 PolarHBondContact O-N 3.42Å; Y70-Q74 PolarHBondContact OH-OE1 3.33Å
71E94.4Very high91.1Very high91 Ų9171.8 Ų71.843%0.42538%0.382SS..Hα-helixtrans-63.3-37.6178.4-80172.1-177.900112.4M67 S68 Q74 R75M67-E71 WeakPolarHBondContact CA-OE2 3.25Å; M67-E71 WeakPolarHBondContact CB-OE2 3.36Å; M67-E71 PolarHBondContact N-OE2 3.4Å; S68-E71 PolarHBondContact O-N 3.41Å; S68-E71 VanDerWaalsContact OG-CB 3.23Å; S68-E71 WeakPolarHBondContact OG-CB 3.31Å; S68-E71 WeakPolarHBondContact OG-CG 3.27Å; S68-E71 PolarHBondContact OG-N 3.37Å; E71-Q74 PolarHBondContact O-N 3.09Å; E71-R75 VanDerWaalsContact O-CB 3.25Å; E71-R75 WeakPolarHBondContact O-CB 3.32Å; E71-R75 PolarHBondContact O-N 3.29Å
72E94.1Very high90.8Very high8 Ų873 Ų734%0.03739%0.392CS..Hα-helixtrans-66.5-42.9176.3178.256.7-174.100111.7F50 R62 H63 A66 S68 W69 Y70 Q74 R75 L76F50-E72 HydrophobicContact CD2-CG 4.41Å; F50-E72 HydrophobicContact CE2-CG 3.81Å; F50-E72 HydrophobicContact CZ-CG 4.46Å; R62-E72 HydrophobicContact CG-CB 3.82Å; R62-E72 HydrophobicContact CG-CG 3.89Å; H63-E72 VanDerWaalsContact CB-CD 3.44Å; H63-E72 HydrophobicContact CB-CG 4.45Å; H63-E72 WeakPolarHBondContact CB-OE1 3.36Å; H63-E72 VanDerWaalsContact CB-OE2 3.27Å; H63-E72 WeakPolarHBondContact CB-OE2 2.98Å; A66-E72 HydrophobicContact CB-CB 3.71Å; A66-E72 HydrophobicContact CB-CG 4.47Å; S68-E72 PolarHBondContact O-N 2.86Å; S68-E72 VanDerWaalsContact O-N 3.09Å; W69-E72 PolarHBondContact O-N 3.28Å; Y70-E72 VanDerWaalsContact C-N 3.32Å; Y70-E72 PolarHBondContact O-N 2.83Å; E72-Q74 VanDerWaalsContact C-N 3.33Å; E72-Q74 PolarHBondContact O-N 2.8Å; E72-R75 PolarHBondContact O-N 3.34Å; E72-R75 IonicContact OE1-CZ 3.4Å; E72-R75 IonicContact OE1-NE 3.89Å; E72-R75 IonicContact OE1-NH2 3.4Å; E72-R75 PolarHBondContact OE1-NH2 3.23Å; E72-R75 IonicContact OE2-CZ 3.63Å; E72-R75 IonicContact OE2-NE 3.74Å; E72-R75 PolarHBondContact OE2-NE 2.78Å; E72-R75 IonicContact OE2-NH2 2.7Å; E72-R75 PolarHBondContact OE2-NH2 3.25Å; E72-L76 PolarHBondContact O-N 2.54Å
73F94.9Very high90.7Very high10 Ų1074.9 Ų74.94%0.04441%0.412CS..Hα-helixtrans-58.6-49.2173.8-169.5-73.6000110.4P23 W46 Q49 F50 Y53 Y54 W69 Y70 L76 Y77P23-F73 HydrophobicContact CB-CE1 4.02Å; P23-F73 HydrophobicContact CB-CZ 3.79Å; P23-F73 HydrophobicContact CG-CE1 4.26Å; P23-F73 HydrophobicContact CG-CE2 4.26Å; P23-F73 HydrophobicContact CG-CZ 3.57Å; W46-F73 HydrophobicContact CE3-CB 4Å; W46-F73 HydrophobicContact CE3-CD1 4.18Å; W46-F73 HydrophobicContact CE3-CD2 4.05Å; W46-F73 AromaticContact CE3-CG 3.8Å; W46-F73 HydrophobicContact CE3-CG 3.8Å; W46-F73 HydrophobicContact CZ3-CB 4.37Å; W46-F73 AromaticContact CZ3-CD1 3.71Å; W46-F73 HydrophobicContact CZ3-CD1 3.71Å; W46-F73 HydrophobicContact CZ3-CD2 4.21Å; W46-F73 HydrophobicContact CZ3-CE1 4.07Å; W46-F73 AromaticContact CZ3-CG 3.83Å; W46-F73 HydrophobicContact CZ3-CG 3.83Å; W46-F73 HydrophobicContact CZ3-CZ 4.47Å; Q49-F73 HydrophobicContact CG-CE2 4.28Å; F50-F73 HydrophobicContact CB-CD2 4.11Å; F50-F73 HydrophobicContact CD2-CB 4.43Å; F50-F73 HydrophobicContact CD2-CD2 4.25Å; Y53-F73 HydrophobicContact CD1-CE2 4.11Å; Y53-F73 AromaticContact CD1-CZ 3.78Å; Y53-F73 HydrophobicContact CD1-CZ 3.78Å; Y53-F73 HydrophobicContact CD2-CZ 4.23Å; Y53-F73 HydrophobicContact CE1-CZ 4.32Å; Y53-F73 AromaticContact CG-CE2 3.97Å; Y53-F73 HydrophobicContact CG-CE2 3.97Å; Y53-F73 AromaticContact CG-CZ 3.74Å; Y53-F73 HydrophobicContact CG-CZ 3.74Å; Y54-F73 HydrophobicContact CD2-CE2 4.41Å; Y54-F73 AromaticContact CE2-CD2 3.92Å; Y54-F73 HydrophobicContact CE2-CD2 3.92Å; Y54-F73 AromaticContact CE2-CE2 3.89Å; Y54-F73 HydrophobicContact CE2-CE2 3.89Å; Y54-F73 HydrophobicContact CE2-CG 4.38Å; Y54-F73 HydrophobicContact CE2-CZ 4.31Å; Y54-F73 PolarHBondContact OH-O 2.69Å; W69-F73 WeakPolarHBondContact O-CB 3.11Å; W69-F73 PolarHBondContact O-N 3.43Å; Y70-F73 PolarHBondContact O-N 2.7Å; F73-L76 PolarHBondContact O-N 2.86Å; F73-Y77 AromaticContact CE1-CD2 3.88Å; F73-Y77 HydrophobicContact CE1-CD2 3.88Å; F73-Y77 HydrophobicContact CE1-CG 4.22Å; F73-Y77 HydrophobicContact CZ-CD2 4.47Å; F73-Y77 VanDerWaalsContact O-CB 3.24Å; F73-Y77 WeakPolarHBondContact O-CB 3.13Å; F73-Y77 PolarHBondContact O-N 3.04Å
74Q93.1Very high90.9Very high77 Ų7778.1 Ų78.136%0.3643%0.427SS..Hα-helixtrans-61.3-44.8179.5-175.7176.8-700111.2Y70 E71 E72 L76 Y77 D78Y70-Q74 VanDerWaalsContact CE1-OE1 3.26Å; Y70-Q74 WeakPolarHBondContact O-CB 3.18Å; Y70-Q74 PolarHBondContact O-N 3.42Å; Y70-Q74 PolarHBondContact OH-OE1 3.33Å; E71-Q74 PolarHBondContact O-N 3.09Å; E72-Q74 VanDerWaalsContact C-N 3.33Å; E72-Q74 PolarHBondContact O-N 2.8Å; Q74-L76 PolarHBondContact O-N 2.9Å; Q74-Y77 PolarHBondContact O-N 3.02Å; Q74-D78 WeakPolarHBondContact CG-OD2 3.47Å; Q74-D78 PolarHBondContact NE2-OD2 3.17Å; Q74-D78 VanDerWaalsContact NE2-OD2 3.08Å; Q74-D78 VanDerWaalsContact O-CB 3.3Å; Q74-D78 WeakPolarHBondContact O-CB 3.23Å; Q74-D78 PolarHBondContact O-N 3.19Å
75R91.6Very high91Very high94 Ų9477.6 Ų77.636%0.35542%0.421SS..Hα-helixtrans-56.2-53176.9-174.7-170.970.680.7-2110.3E71 E72 Y77 T79E71-R75 VanDerWaalsContact O-CB 3.25Å; E71-R75 WeakPolarHBondContact O-CB 3.32Å; E71-R75 PolarHBondContact O-N 3.29Å; E72-R75 PolarHBondContact O-N 3.34Å; E72-R75 IonicContact OE1-CZ 3.4Å; E72-R75 IonicContact OE1-NE 3.89Å; E72-R75 IonicContact OE1-NH2 3.4Å; E72-R75 PolarHBondContact OE1-NH2 3.23Å; E72-R75 IonicContact OE2-CZ 3.63Å; E72-R75 IonicContact OE2-NE 3.74Å; E72-R75 PolarHBondContact OE2-NE 2.78Å; E72-R75 IonicContact OE2-NH2 2.7Å; E72-R75 PolarHBondContact OE2-NH2 3.25Å; R75-Y77 VanDerWaalsContact C-N 3.33Å; R75-Y77 PolarHBondContact O-N 3.41Å; R75-T79 HydrophobicContact CG-CG2 4.34Å; R75-T79 WeakPolarHBondContact O-CA 3.2Å; R75-T79 WeakPolarHBondContact O-CB 3.48Å; R75-T79 VanDerWaalsContact O-CG2 3.32Å; R75-T79 WeakPolarHBondContact O-CG2 3.25Å; R75-T79 PolarHBondContact O-N 3.46Å; R75-T79 PolarHBondContact O-OG1 3.03Å
76L92.3Very high91.3Very high38 Ų3880.6 Ų80.620%0.19942%0.422CS..Hα-helixtrans-65.4-37.5179.3-70.7-173.5000112.4F50 Y54 E72 F73 Q74 V80F50-L76 HydrophobicContact CE2-CD1 3.51Å; F50-L76 HydrophobicContact CZ-CD1 3.76Å; Y54-L76 HydrophobicContact CE1-CB 4.21Å; Y54-L76 HydrophobicContact CE2-CB 4.19Å; Y54-L76 HydrophobicContact CE2-CD1 4.22Å; Y54-L76 VanDerWaalsContact OH-CB 3.25Å; Y54-L76 WeakPolarHBondContact OH-CB 3.16Å; E72-L76 PolarHBondContact O-N 2.54Å; F73-L76 PolarHBondContact O-N 2.86Å; Q74-L76 PolarHBondContact O-N 2.9Å; L76-V80 HydrophobicContact CB-CG2 4.44Å; L76-V80 HydrophobicContact CD2-CG2 4.16Å; L76-V80 WeakPolarHBondContact O-CB 3.3Å; L76-V80 WeakPolarHBondContact O-CG2 3.3Å; L76-V80 PolarHBondContact O-N 3.38Å
77Y92.1Very high91.5Very high125 Ų12583.9 Ų83.949%0.4944%0.441SS..Hα-helixtrans-70.1-42.3-177.2-168.9-87.2000112Y53 Y54 F73 Q74 R75Y53-Y77 HydrophobicContact CE1-CD2 4.16Å; Y53-Y77 HydrophobicContact CE1-CE2 4.33Å; Y53-Y77 AromaticContact CZ-CE2 3.91Å; Y53-Y77 WeakPolarHBondContact OH-CE2 3.49Å; Y54-Y77 WeakPolarHBondContact OH-CA 3.14Å; Y54-Y77 PolarHBondContact OH-N 2.78Å; F73-Y77 AromaticContact CE1-CD2 3.88Å; F73-Y77 HydrophobicContact CE1-CD2 3.88Å; F73-Y77 HydrophobicContact CE1-CG 4.22Å; F73-Y77 HydrophobicContact CZ-CD2 4.47Å; F73-Y77 VanDerWaalsContact O-CB 3.24Å; F73-Y77 WeakPolarHBondContact O-CB 3.13Å; F73-Y77 PolarHBondContact O-N 3.04Å; Q74-Y77 PolarHBondContact O-N 3.02Å; R75-Y77 VanDerWaalsContact C-N 3.33Å; R75-Y77 PolarHBondContact O-N 3.41Å
78D90.5Very high91.7Very high103 Ų10381 Ų8155%0.55143%0.428SS*.Hα-helixtrans-88.4-32-174.6-67-15.3000112.9Q74Q74-D78 WeakPolarHBondContact CG-OD2 3.47Å; Q74-D78 PolarHBondContact NE2-OD2 3.17Å; Q74-D78 VanDerWaalsContact NE2-OD2 3.08Å; Q74-D78 VanDerWaalsContact O-CB 3.3Å; Q74-D78 WeakPolarHBondContact O-CB 3.23Å; Q74-D78 PolarHBondContact O-N 3.19Å
79T88.1Confident91.6Very high88 Ų8890.6 Ų90.654%0.5446%0.461SS..Hα-helixtrans-99.7-14.3-171.473.20000114.2R75 P81R75-T79 HydrophobicContact CG-CG2 4.34Å; R75-T79 WeakPolarHBondContact O-CA 3.2Å; R75-T79 WeakPolarHBondContact O-CB 3.48Å; R75-T79 VanDerWaalsContact O-CG2 3.32Å; R75-T79 WeakPolarHBondContact O-CG2 3.25Å; R75-T79 PolarHBondContact O-N 3.46Å; R75-T79 PolarHBondContact O-OG1 3.03Å; T79-P81 VanDerWaalsContact O-CD 3.3Å; T79-P81 WeakPolarHBondContact O-CD 3.47Å
80V87.3Confident91.5Very high78 Ų7894.4 Ų94.447%0.47348%0.48SS..SBendtrans-72.7118.8176172.70000108.6L76 C82L76-V80 HydrophobicContact CB-CG2 4.44Å; L76-V80 HydrophobicContact CD2-CG2 4.16Å; L76-V80 WeakPolarHBondContact O-CB 3.3Å; L76-V80 WeakPolarHBondContact O-CG2 3.3Å; L76-V80 PolarHBondContact O-N 3.38Å; V80-C82 PolarHBondContact O-N 3.13Å
81P86.2Confident91.6Very high83 Ų8394.1 Ų94.154%0.53948%0.48SS..  trans-67.7130.9-178.124.7-31.2000111.5T79 V85T79-P81 VanDerWaalsContact O-CD 3.3Å; T79-P81 WeakPolarHBondContact O-CD 3.47Å; P81-V85 HydrophobicContact CB-CG2 3.25Å; P81-V85 HydrophobicContact CG-CG2 3.84Å
82C85.3Confident91.8Very high129 Ų12996.1 Ų96.187%0.87250%0.499SS*.SBendtrans-90.3-2.6177.2-57.90000113.5V80V80-C82 PolarHBondContact O-N 3.13Å
83V89.6Confident91.9Very high114 Ų11499.1 Ų99.169%0.69152%0.515SS*.SBendtrans-134.2159.9-179.1-61.60000109.5V85V83-V85 WeakPolarHBondContact O-CG2 3.46Å; V83-V85 PolarHBondContact O-N 3Å
84E91.4Very high92Very high147 Ų147104.8 Ų104.869%0.68754%0.542SS*.  trans-61.4110.5174.5-173.1178.5160.200110T87E84-T87 WeakPolarHBondContact OE1-CB 3.43Å; E84-T87 PolarHBondContact OE1-OG1 2.68Å
85V90.3Very high92.2Very high112 Ų112104.6 Ų104.668%0.67955%0.546SS*.  trans-85.9-32.4179.7-177.10000111.3P81 V83P81-V85 HydrophobicContact CB-CG2 3.25Å; P81-V85 HydrophobicContact CG-CG2 3.84Å; V83-V85 WeakPolarHBondContact O-CG2 3.46Å; V83-V85 PolarHBondContact O-N 3Å
86Q91.2Very high92.4Very high143 Ų143105.7 Ų105.767%0.66856%0.558SS**  trans-151.8134.2-172-171.7173.68.200111.6L88Q86-L88 HydrophobicContact CG-CD2 4.16Å; Q86-L88 HydrophobicContact CG-CG 4.37Å; Q86-L88 VanDerWaalsContact NE2-CD2 3.29Å
87T93.2Very high92.6Very high79 Ų79109.7 Ų109.749%0.48558%0.575SS.*  trans-110121.9168.2-32.90000109.3E84 R89E84-T87 WeakPolarHBondContact OE1-CB 3.43Å; E84-T87 PolarHBondContact OE1-OG1 2.68Å; T87-R89 HydrophobicContact CG2-CG 4.04Å
88L94Very high92.8Very high93 Ų93107.8 Ų107.849%0.48757%0.573SS.*  trans-101.9113.7171.9-64-179.9000109.9Q86 F107Q86-L88 HydrophobicContact CG-CD2 4.16Å; Q86-L88 HydrophobicContact CG-CG 4.37Å; Q86-L88 VanDerWaalsContact NE2-CD2 3.29Å; L88-F107 HydrophobicContact CD1-CE1 4.39Å; L88-F107 HydrophobicContact CD1-CE2 4.49Å; L88-F107 HydrophobicContact CD1-CZ 3.6Å
89R94.4Very high93.1Very high220 Ų220106.1 Ų106.183%0.8357%0.57SS**  trans-105.944-176.6-65.6-178.3176.3-100.7-2.6112T87T87-R89 HydrophobicContact CG2-CG 4.04Å
90E93.8Very high93.4Very high113 Ų113108.5 Ų108.553%0.52857%0.573SS.*  trans-89.1-32.4-169.1-84.3-136.1-159.200112.9K117E90-K117 VanDerWaalsContact C-NZ 3.34Å; E90-K117 HydrophobicContact CB-CD 3.65Å; E90-K117 VanDerWaalsContact CB-NZ 3.29Å; E90-K117 WeakPolarHBondContact O-CE 3.43Å; E90-K117 PolarHBondContact O-NZ 2.54Å; E90-K117 VanDerWaalsContact OE2-CD 3.29Å; E90-K117 WeakPolarHBondContact OE2-CD 3.49Å; E90-K117 WeakPolarHBondContact OE2-CE 3.29Å; E90-K117 IonicContact OE2-NZ 3.44Å; E90-K117 PolarHBondContact OE2-NZ 2.74Å
91H97.1Very high93.7Very high32 Ų32106.6 Ų106.615%0.14856%0.563CS.*  trans-84.4144.8173.9-75.5-61.7000111.3V95 S109 S111 D113 T115H91-V95 HydrophobicContact CB-CG2 4.16Å; H91-S109 PolarHBondContact NE2-OG 2.79Å; H91-S109 VanDerWaalsContact NE2-OG 3.07Å; H91-S111 VanDerWaalsContact CE1-CB 3.46Å; H91-S111 WeakPolarHBondContact CE1-CB 3.14Å; H91-S111 VanDerWaalsContact CG-CB 3.41Å; H91-S111 WeakPolarHBondContact ND1-CB 3.35Å; H91-D113 WeakPolarHBondContact CA-OD2 3.43Å; H91-D113 WeakPolarHBondContact CB-OD2 3.48Å; H91-D113 IonicContact CG-OD2 3.25Å; H91-D113 IonicContact ND1-OD1 2.88Å; H91-D113 PolarHBondContact ND1-OD1 2.57Å; H91-D113 IonicContact ND1-OD2 2.74Å; H91-D113 PolarHBondContact ND1-OD2 2.99Å; H91-T115 PolarHBondContact CE1-OG1 3.47Å; H91-T115 PolarHBondContact ND1-OG1 3.38Å
92T96.9Very high93.6Very high132 Ų132112.2 Ų112.281%0.8158%0.582SS**SBendtrans-94.4-8.718056.80000113.1D113T92-D113 PolarHBondContact N-OD2 3Å; T92-D113 WeakPolarHBondContact OG1-CB 3.33Å
93D96.6Very high93.5Very high71 Ų71109.5 Ų109.538%0.3856%0.564SS.*SBendtrans-137.8-176.3175.5-155.3-17.1000109.9V95 S111 K112 D113D93-V95 PolarHBondContact O-N 3.25Å; D93-S111 PolarHBondContact O-OG 3.21Å; D93-K112 HydrophobicContact CB-CB 4.07Å; D93-K112 WeakPolarHBondContact OD2-CD 3.18Å; D93-K112 WeakPolarHBondContact OD2-CG 3.2Å; D93-D113 HydrophobicContact CB-CB 4Å
94Q96.7Very high93.3Very high130 Ų130106.5 Ų106.561%0.60756%0.557SS**  trans-59.8129-176.1-64.6175.7-0.900112.2L96 S111 K112Q94-L96 HydrophobicContact CB-CD2 4.36Å; Q94-L96 PolarHBondContact O-N 3.2Å; Q94-S111 WeakPolarHBondContact O-CA 3.35Å; Q94-S111 PolarHBondContact O-OG 2.91Å; Q94-K112 PolarHBondContact O-N 3.4Å
95V97.1Very high93.1Very high73 Ų73109.4 Ų109.444%0.44256%0.563SS.*EExtended strand (participates in β ladder)trans-72.6123.9166.9-176.50000108.5H91 D93 L98H91-V95 HydrophobicContact CB-CG2 4.16Å; D93-V95 PolarHBondContact O-N 3.25Å; V95-L98 HydrophobicContact CG1-CD2 4.11Å; V95-L98 HydrophobicContact CG1-CG 4.31Å
96L96.5Very high93.3Very high117 Ų117110.8 Ų110.861%0.61356%0.562SS**EExtended strand (participates in β ladder)trans-99.9-28.1-174.7-57179000112.3Q94 C110 K112Q94-L96 HydrophobicContact CB-CD2 4.36Å; Q94-L96 PolarHBondContact O-N 3.2Å; L96-C110 PolarHBondContact N-O 2.98Å; L96-K112 HydrophobicContact CD1-CB 4.21Å; L96-K112 HydrophobicContact CG-CB 4.49Å
97H96.6Very high93.5Very high121 Ų121108.3 Ų108.356%0.5655%0.549SS*.EExtended strand (participates in β ladder)trans-150.2149.8-177.9-163.7-88.6000111.9S109 C110H97-S109 WeakPolarHBondContact O-CA 3.47Å; H97-C110 HydrophobicContact CB-CB 4.28Å; H97-C110 PolarHBondContact N-O 3.44Å; H97-C110 PolarHBondContact O-N 2.95Å
98L96.4Very high93.7Very high86 Ų86106.4 Ų106.445%0.4554%0.541SS..EExtended strand (participates in β ladder)trans-130.5142173.1-69.1171.8000109.8V95 F107 A108V95-L98 HydrophobicContact CG1-CD2 4.11Å; V95-L98 HydrophobicContact CG1-CG 4.31Å; L98-F107 HydrophobicContact CD2-CD2 3.97Å; L98-F107 HydrophobicContact CD2-CE2 4.13Å; L98-A108 CarbonylContact C-O 3.57Å; L98-A108 WeakPolarHBondContact CA-O 3.37Å
99S96.6Very high93.8Very high68 Ų68102.6 Ų102.648%0.47652%0.522SS..EExtended strand (participates in β ladder)trans-136.1124.8173.1-176.20000110F107 A108S99-F107 CarbonylContact O-C 3.44Å; S99-F107 WeakPolarHBondContact O-CA 3.12Å; S99-F107 WeakPolarHBondContact O-CB 3.46Å; S99-A108 PolarHBondContact N-O 3.2Å; S99-A108 PolarHBondContact O-N 3.26Å
100F94.9Very high94Very high137 Ų13794.6 Ų94.660%0.60150%0.499SS*.EExtended strand (participates in β ladder)trans-90.6145.5177-66.9-92.3000110.8F107F100-F107 HydrophobicContact CD1-CB 3.58Å; F100-F107 HydrophobicContact CD1-CG 4.33Å; F100-F107 HydrophobicContact CE1-CB 3.8Å; F100-F107 HydrophobicContact CE1-CD1 4.2Å; F100-F107 HydrophobicContact CE1-CG 4.08Å; F100-F107 HydrophobicContact CG-CB 4.06Å; F100-F107 HydrophobicContact CZ-CB 4.46Å
101S92.9Very high94.2Very high39 Ų3989.8 Ų89.827%0.27348%0.479SS..  trans-69.3155.7170.272.80000110.3S103 G104 Q106S101-S103 PolarHBondContact O-N 3.21Å; S101-S103 VanDerWaalsContact O-N 3.14Å; S101-S103 PolarHBondContact OG-OG 2.78Å; S101-G104 PolarHBondContact O-N 3.31Å; S101-G104 PolarHBondContact OG-N 2.98Å; S101-Q106 PolarHBondContact N-O 2.88Å; S101-Q106 PolarHBondContact OG-N 3.22Å; S101-Q106 PolarHBondContact OG-O 2.85Å
102H84.3Confident94.2Very high200 Ų20094.3 Ų94.393%0.92650%0.498SS*.THydrogen-bonded Turntrans-57.3-30.2178.3-179.470.6000113.1G104H102-G104 VanDerWaalsContact C-N 3.34Å
103S83.9Confident94.2Very high72 Ų7289.5 Ų89.550%0.50347%0.467SS..THydrogen-bonded Turntrans-81.2-11.5178.262.10000113.8S101 Y105S101-S103 PolarHBondContact O-N 3.21Å; S101-S103 VanDerWaalsContact O-N 3.14Å; S101-S103 PolarHBondContact OG-OG 2.78Å; S103-Y105 WeakPolarHBondContact O-CD2 3.22Å; S103-Y105 PolarHBondContact O-N 3.47Å
104G85.3Confident94.1Very high52 Ų5292.1 Ų92.154%0.53649%0.49SS..SBendtrans74.3-2.5179.600000115.4S101 H102S101-G104 PolarHBondContact O-N 3.31Å; S101-G104 PolarHBondContact OG-N 2.98Å; H102-G104 VanDerWaalsContact C-N 3.34Å
105Y86.7Confident94.1Very high207 Ų20788.7 Ų88.781%0.81248%0.477SS*.SBendtrans-84.8-14-179.4-64.1-66.7000114.1S103S103-Y105 WeakPolarHBondContact O-CD2 3.22Å; S103-Y105 PolarHBondContact O-N 3.47Å
106Q93.8Very high94.1Very high141 Ų14190.2 Ų90.266%0.65949%0.487SS*.  trans-136.9154.1-177.2-67176.5-1000109.2S101S101-Q106 PolarHBondContact N-O 2.88Å; S101-Q106 PolarHBondContact OG-N 3.22Å; S101-Q106 PolarHBondContact OG-O 2.85Å
107F95.9Very high93.8Very high91 Ų9190 Ų9040%0.39948%0.481SS..EExtended strand (participates in β ladder)trans-146.5157.3169.267.1-86.4000109.3L88 L98 S99 F100L88-F107 HydrophobicContact CD1-CE1 4.39Å; L88-F107 HydrophobicContact CD1-CE2 4.49Å; L88-F107 HydrophobicContact CD1-CZ 3.6Å; L98-F107 HydrophobicContact CD2-CD2 3.97Å; L98-F107 HydrophobicContact CD2-CE2 4.13Å; S99-F107 CarbonylContact O-C 3.44Å; S99-F107 WeakPolarHBondContact O-CA 3.12Å; S99-F107 WeakPolarHBondContact O-CB 3.46Å; F100-F107 HydrophobicContact CD1-CB 3.58Å; F100-F107 HydrophobicContact CD1-CG 4.33Å; F100-F107 HydrophobicContact CE1-CB 3.8Å; F100-F107 HydrophobicContact CE1-CD1 4.2Å; F100-F107 HydrophobicContact CE1-CG 4.08Å; F100-F107 HydrophobicContact CG-CB 4.06Å; F100-F107 HydrophobicContact CZ-CB 4.46Å
108A96.7Very high93.7Very high40 Ų4088.5 Ų88.533%0.33148%0.477SS..EExtended strand (participates in β ladder)trans-112.5147.7172.400000109.6L98 S99 K117L98-A108 CarbonylContact C-O 3.57Å; L98-A108 WeakPolarHBondContact CA-O 3.37Å; S99-A108 PolarHBondContact N-O 3.2Å; S99-A108 PolarHBondContact O-N 3.26Å; A108-K117 CarbonylContact C-O 3.45Å; A108-K117 VanDerWaalsContact CA-O 3.27Å; A108-K117 WeakPolarHBondContact CA-O 3.19Å
109S97.4Very high93.6Very high12 Ų1288.6 Ų88.68%0.08448%0.479CS..EExtended strand (participates in β ladder)trans-129.1135.6-178.651.70000110.5H91 H97 V116 K117H91-S109 PolarHBondContact NE2-OG 2.79Å; H91-S109 VanDerWaalsContact NE2-OG 3.07Å; H97-S109 WeakPolarHBondContact O-CA 3.47Å; S109-V116 VanDerWaalsContact O-CA 3.27Å; S109-V116 WeakPolarHBondContact O-CA 3.27Å; S109-V116 WeakPolarHBondContact O-CG1 3.27Å; S109-K117 PolarHBondContact N-O 2.88Å; S109-K117 PolarHBondContact O-N 3.19Å; S109-K117 PolarHBondContact OG-O 2.77Å
110C97Very high93.4Very high52 Ų5289.8 Ų89.835%0.35148%0.479SS..EExtended strand (participates in β ladder)trans-117.9131.8177.2-62.40000109.6L96 H97L96-C110 PolarHBondContact N-O 2.98Å; H97-C110 HydrophobicContact CB-CB 4.28Å; H97-C110 PolarHBondContact N-O 3.44Å; H97-C110 PolarHBondContact O-N 2.95Å
111S97.9Very high93.3Very high13 Ų1387 Ų879%0.09147%0.472CS..EExtended strand (participates in β ladder)trans-126.7160.7-173.7171.90000112.9H91 D93 Q94 D113 C114 T115H91-S111 VanDerWaalsContact CE1-CB 3.46Å; H91-S111 WeakPolarHBondContact CE1-CB 3.14Å; H91-S111 VanDerWaalsContact CG-CB 3.41Å; H91-S111 WeakPolarHBondContact ND1-CB 3.35Å; D93-S111 PolarHBondContact O-OG 3.21Å; Q94-S111 WeakPolarHBondContact O-CA 3.35Å; Q94-S111 PolarHBondContact O-OG 2.91Å; S111-D113 WeakPolarHBondContact CB-OD1 3.35Å; S111-D113 PolarHBondContact O-N 3.35Å; S111-D113 PolarHBondContact OG-N 3.07Å; S111-D113 PolarHBondContact OG-OD1 3.06Å; S111-D113 PolarHBondContact OG-OD2 3.38Å; S111-C114 PolarHBondContact O-N 2.71Å; S111-T115 PolarHBondContact N-O 3.14Å
112K97.6Very high93.3Very high127 Ų12790 Ų9055%0.55248%0.484SS*.THydrogen-bonded Turntrans-68.3-14.8173-170175.8175.7-168.60113.3D93 Q94 L96 C114D93-K112 HydrophobicContact CB-CB 4.07Å; D93-K112 WeakPolarHBondContact OD2-CD 3.18Å; D93-K112 WeakPolarHBondContact OD2-CG 3.2Å; Q94-K112 PolarHBondContact O-N 3.4Å; L96-K112 HydrophobicContact CD1-CB 4.21Å; L96-K112 HydrophobicContact CG-CB 4.49Å; K112-C114 PolarHBondContact O-N 2.98Å
113D96.9Very high93.9Very high31 Ų3182.7 Ų82.717%0.16645%0.454CS..THydrogen-bonded Turntrans-70.57.5172.264.323.1000114.3H91 T92 D93 S111 T115H91-D113 WeakPolarHBondContact CA-OD2 3.43Å; H91-D113 WeakPolarHBondContact CB-OD2 3.48Å; H91-D113 IonicContact CG-OD2 3.25Å; H91-D113 IonicContact ND1-OD1 2.88Å; H91-D113 PolarHBondContact ND1-OD1 2.57Å; H91-D113 IonicContact ND1-OD2 2.74Å; H91-D113 PolarHBondContact ND1-OD2 2.99Å; T92-D113 PolarHBondContact N-OD2 3Å; T92-D113 WeakPolarHBondContact OG1-CB 3.33Å; D93-D113 HydrophobicContact CB-CB 4Å; S111-D113 WeakPolarHBondContact CB-OD1 3.35Å; S111-D113 PolarHBondContact O-N 3.35Å; S111-D113 PolarHBondContact OG-N 3.07Å; S111-D113 PolarHBondContact OG-OD1 3.06Å; S111-D113 PolarHBondContact OG-OD2 3.38Å; D113-T115 VanDerWaalsContact C-N 3.26Å; D113-T115 VanDerWaalsContact CG-OG1 3.28Å; D113-T115 PolarHBondContact O-N 2.88Å; D113-T115 WeakPolarHBondContact OD1-CA 3.49Å; D113-T115 WeakPolarHBondContact OD1-CB 3.49Å; D113-T115 PolarHBondContact OD1-N 3.19Å; D113-T115 PolarHBondContact OD1-OG1 3.4Å; D113-T115 PolarHBondContact OD2-OG1 3.06Å
114C95.6Very high94.6Very high126 Ų12683.4 Ų83.485%0.85145%0.451SS*.SBendtrans64.923.8-178.1-58.40000114S111 K112S111-C114 PolarHBondContact O-N 2.71Å; K112-C114 PolarHBondContact O-N 2.98Å
115T96.3Very high95.3Very high57 Ų5785.8 Ų85.835%0.3544%0.444SS..  trans-118.2153.6175.871.70000112.7H91 S111 D113H91-T115 PolarHBondContact CE1-OG1 3.47Å; H91-T115 PolarHBondContact ND1-OG1 3.38Å; S111-T115 PolarHBondContact N-O 3.14Å; D113-T115 VanDerWaalsContact C-N 3.26Å; D113-T115 VanDerWaalsContact CG-OG1 3.28Å; D113-T115 PolarHBondContact O-N 2.88Å; D113-T115 WeakPolarHBondContact OD1-CA 3.49Å; D113-T115 WeakPolarHBondContact OD1-CB 3.49Å; D113-T115 PolarHBondContact OD1-N 3.19Å; D113-T115 PolarHBondContact OD1-OG1 3.4Å; D113-T115 PolarHBondContact OD2-OG1 3.06Å
116V95.9Very high96.1Very high105 Ų10575.8 Ų75.864%0.63641%0.414SS*.BIsolated β-bridgetrans-119.1134.3169.2-179.30000107.3S109S109-V116 VanDerWaalsContact O-CA 3.27Å; S109-V116 WeakPolarHBondContact O-CA 3.27Å; S109-V116 WeakPolarHBondContact O-CG1 3.27Å
117K91.9Very high96.3Very high114 Ų11469.8 Ų69.850%0.49639%0.392SS..  trans-128.30179.4-65.7-174.4167.8-150.80110.7E90 A108 S109E90-K117 VanDerWaalsContact C-NZ 3.34Å; E90-K117 HydrophobicContact CB-CD 3.65Å; E90-K117 VanDerWaalsContact CB-NZ 3.29Å; E90-K117 WeakPolarHBondContact O-CE 3.43Å; E90-K117 PolarHBondContact O-NZ 2.54Å; E90-K117 VanDerWaalsContact OE2-CD 3.29Å; E90-K117 WeakPolarHBondContact OE2-CD 3.49Å; E90-K117 WeakPolarHBondContact OE2-CE 3.29Å; E90-K117 IonicContact OE2-NZ 3.44Å; E90-K117 PolarHBondContact OE2-NZ 2.74Å; A108-K117 CarbonylContact C-O 3.45Å; A108-K117 VanDerWaalsContact CA-O 3.27Å; A108-K117 WeakPolarHBondContact CA-O 3.19Å; S109-K117 PolarHBondContact N-O 2.88Å; S109-K117 PolarHBondContact O-N 3.19Å; S109-K117 PolarHBondContact OG-O 2.77Å

Retrieved 117 of 117 residues in 67.7 ms (Link to these results)

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