A0A096MSR5_PAPAN Loading...

Inhibitor of nuclear factor kappa-B kinase subunit epsilon

AlphaFold DB , UniProt , Accession A0A096MSR5, Species PAPAN (Papio anubis, Olive baboon), Gene IKBKE, Length 716 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
1M85.8Confident93.7Very high145 Ų14556.1 Ų56.171%0.71431%0.313SS*.  0133.90-174.1175.5146.600109.8L8 W9M1-L8 HydrophobicContact CE-CB 4.12Å; M1-L8 HydrophobicContact CE-CD1 4.14Å; M1-L8 HydrophobicContact CE-CD2 4.13Å; M1-L8 HydrophobicContact CE-CG 4.38Å; M1-W9 WeakPolarHBondContact CA-O 3.43Å
2Q92Very high93.5Very high72 Ų7262.1 Ų62.134%0.33634%0.344SS..EExtended strand (participates in β ladder)trans-122.7160.3177.6-68.7-176.2-0.100110L8 W9 T11Q2-L8 WeakPolarHBondContact O-CA 3.43Å; Q2-W9 HydrophobicContact CB-CD2 4.15Å; Q2-W9 VanDerWaalsContact CB-CE2 3.48Å; Q2-W9 HydrophobicContact CB-CH2 4.37Å; Q2-W9 HydrophobicContact CB-CZ2 3.61Å; Q2-W9 PolarHBondContact N-O 3.41Å; Q2-W9 PolarHBondContact O-N 3.29Å; Q2-W9 VanDerWaalsContact OE1-NE1 3.15Å; Q2-T11 HydrophobicContact CG-CG2 4.36Å
3S94.1Very high93.5Very high47 Ų4763.5 Ų63.533%0.32935%0.351SS..EExtended strand (participates in β ladder)trans-158.1158.917975.90000113.9Y7 K29 G77S3-Y7 CarbonylContact C-O 3.59Å; S3-Y7 VanDerWaalsContact CA-O 3.25Å; S3-Y7 WeakPolarHBondContact CA-O 3.34Å; S3-Y7 VanDerWaalsContact CB-O 3.23Å; S3-Y7 WeakPolarHBondContact CB-O 3.18Å; S3-K29 PolarHBondContact OG-NZ 3.38Å; S3-G77 PolarHBondContact O-N 2.96Å
4T95.1Very high93.6Very high5 Ų564.3 Ų64.33%0.03135%0.354CS..  trans-109.4-168.2164.962.40000110N6 Y7 W9 K29 E74 E75 V83T4-N6 VanDerWaalsContact C-N 3.35Å; T4-N6 PolarHBondContact O-N 3.18Å; T4-Y7 PolarHBondContact N-O 3.31Å; T4-Y7 PolarHBondContact OG1-N 3.48Å; T4-Y7 VanDerWaalsContact OG1-N 3.09Å; T4-W9 HydrophobicContact CG2-CH2 3.87Å; T4-W9 HydrophobicContact CG2-CZ3 3.91Å; T4-K29 PolarHBondContact O-NZ 3.47Å; T4-E74 WeakPolarHBondContact CB-OE2 3.48Å; T4-E74 HydrophobicContact CG2-CB 3.91Å; T4-E74 PolarHBondContact OG1-OE2 3.47Å; T4-E75 WeakPolarHBondContact CB-O 3.33Å; T4-E75 WeakPolarHBondContact CG2-O 3.36Å; T4-V83 HydrophobicContact CG2-CG2 3.5Å; T4-V83 VanDerWaalsContact CG2-CG2 3.5Å
5A93.8Very high93.4Very high76 Ų7665.5 Ų65.563%0.62836%0.359SS*.SBendtrans-54.9-49.3173.500000111.7K29 E74A5-K29 WeakPolarHBondContact O-CD 3.38Å; A5-E74 PolarHBondContact N-OE2 3.41Å
6N95.9Very high93Very high56 Ų5663.3 Ų63.330%0.29936%0.356SS..SBendtrans-111.3-8.7-171.7-60.1-62.8000115.2T4 K29 E74T4-N6 VanDerWaalsContact C-N 3.35Å; T4-N6 PolarHBondContact O-N 3.18Å; N6-K29 VanDerWaalsContact O-CB 3.31Å; N6-K29 WeakPolarHBondContact O-CB 3.24Å; N6-K29 WeakPolarHBondContact O-CG 3.31Å; N6-K29 PolarHBondContact O-N 3.28Å; N6-E74 WeakPolarHBondContact CB-OE1 3.3Å; N6-E74 PolarHBondContact N-OE2 2.84Å; N6-E74 VanDerWaalsContact N-OE2 3.15Å; N6-E74 PolarHBondContact ND2-OE1 3.29Å
7Y96.8Very high92.6Very high22 Ų2268.4 Ų68.49%0.08638%0.376CS..EExtended strand (participates in β ladder)trans-129.2151.8-173.7-57.2-88.5000112.6S3 T4 R27 N28 K29 V35 E74 V85S3-Y7 CarbonylContact C-O 3.59Å; S3-Y7 VanDerWaalsContact CA-O 3.25Å; S3-Y7 WeakPolarHBondContact CA-O 3.34Å; S3-Y7 VanDerWaalsContact CB-O 3.23Å; S3-Y7 WeakPolarHBondContact CB-O 3.18Å; T4-Y7 PolarHBondContact N-O 3.31Å; T4-Y7 PolarHBondContact OG1-N 3.48Å; T4-Y7 VanDerWaalsContact OG1-N 3.09Å; Y7-R27 WeakPolarHBondContact CA-O 3.47Å; Y7-N28 HydrophobicContact CD1-CB 4.02Å; Y7-N28 HydrophobicContact CE1-CB 3.76Å; Y7-K29 WeakPolarHBondContact O-CE 3.49Å; Y7-V35 HydrophobicContact CD1-CG2 3.6Å; Y7-V35 HydrophobicContact CE1-CG1 4.13Å; Y7-V35 HydrophobicContact CE1-CG2 3.92Å; Y7-E74 WeakPolarHBondContact CD2-OE2 3.4Å; Y7-E74 WeakPolarHBondContact CE2-OE1 3.43Å; Y7-V85 HydrophobicContact CD1-CG1 3.95Å; Y7-V85 HydrophobicContact CD2-CG1 4.23Å; Y7-V85 HydrophobicContact CD2-CG2 3.75Å; Y7-V85 HydrophobicContact CE1-CG1 3.62Å; Y7-V85 HydrophobicContact CE2-CB 4.3Å; Y7-V85 HydrophobicContact CE2-CG1 3.94Å; Y7-V85 HydrophobicContact CE2-CG2 3.82Å; Y7-V85 HydrophobicContact CG-CG1 4.24Å; Y7-V85 HydrophobicContact CG-CG2 4.27Å
8L95.8Very high91.9Very high56 Ų5666.9 Ų66.929%0.29338%0.38SS..EExtended strand (participates in β ladder)trans-136.9149175.474.388.2000111.5M1 Q2 A26 R27 K29M1-L8 HydrophobicContact CE-CB 4.12Å; M1-L8 HydrophobicContact CE-CD1 4.14Å; M1-L8 HydrophobicContact CE-CD2 4.13Å; M1-L8 HydrophobicContact CE-CG 4.38Å; Q2-L8 WeakPolarHBondContact O-CA 3.43Å; L8-A26 CarbonylContact O-C 3.32Å; L8-A26 VanDerWaalsContact O-CA 3.29Å; L8-A26 WeakPolarHBondContact O-CA 3.5Å; L8-A26 WeakPolarHBondContact O-CB 3.42Å; L8-R27 PolarHBondContact N-O 2.98Å; L8-R27 PolarHBondContact O-N 2.99Å; L8-K29 HydrophobicContact CD2-CG 4.04Å
9W96.1Very high91.2Very high3 Ų368.3 Ų68.31%0.01140%0.4CS..EExtended strand (participates in β ladder)trans-149.5157.7175.560.4101.1000112.8M1 Q2 T4 Y24 K25 A26 V37 V39 T76 V83M1-W9 WeakPolarHBondContact CA-O 3.43Å; Q2-W9 HydrophobicContact CB-CD2 4.15Å; Q2-W9 VanDerWaalsContact CB-CE2 3.48Å; Q2-W9 HydrophobicContact CB-CH2 4.37Å; Q2-W9 HydrophobicContact CB-CZ2 3.61Å; Q2-W9 PolarHBondContact N-O 3.41Å; Q2-W9 PolarHBondContact O-N 3.29Å; Q2-W9 VanDerWaalsContact OE1-NE1 3.15Å; T4-W9 HydrophobicContact CG2-CH2 3.87Å; T4-W9 HydrophobicContact CG2-CZ3 3.91Å; W9-Y24 AromaticContact CD1-CD2 3.82Å; W9-Y24 AromaticContact CD1-CG 3.51Å; W9-Y24 HydrophobicContact CG-CG 4.37Å; W9-Y24 AromaticContact NE1-CD2 3.7Å; W9-Y24 AromaticContact NE1-CG 3.9Å; W9-K25 VanDerWaalsContact CB-O 3.3Å; W9-K25 WeakPolarHBondContact CB-O 3.41Å; W9-A26 HydrophobicContact CB-CB 3.81Å; W9-A26 HydrophobicContact CE3-CB 4.38Å; W9-V37 HydrophobicContact CD2-CG1 4.43Å; W9-V37 HydrophobicContact CE3-CB 4.34Å; W9-V37 HydrophobicContact CE3-CG1 4.15Å; W9-V37 HydrophobicContact CE3-CG2 4.25Å; W9-V37 HydrophobicContact CH2-CG1 4Å; W9-V37 HydrophobicContact CZ2-CG1 4.27Å; W9-V37 HydrophobicContact CZ3-CG1 3.93Å; W9-V37 HydrophobicContact CZ3-CG2 4.47Å; W9-V39 HydrophobicContact CH2-CG2 4.47Å; W9-V39 HydrophobicContact CZ2-CG2 3.65Å; W9-T76 HydrophobicContact CH2-CG2 4.08Å; W9-T76 HydrophobicContact CZ2-CG2 4.3Å; W9-V83 HydrophobicContact CH2-CG1 4.39Å
10H94.6Very high90.7Very high74 Ų7466.9 Ų66.934%0.34339%0.392SS..EExtended strand (participates in β ladder)trans-91.5148.4167.8-149.2-98.7000110.6D12 D13H10-D12 IonicContact CE1-OD2 3.84Å; H10-D12 PolarHBondContact CE1-OD2 3.14Å; H10-D12 VanDerWaalsContact ND1-CG 3.3Å; H10-D12 PolarHBondContact ND1-N 3.47Å; H10-D12 IonicContact ND1-OD1 2.96Å; H10-D12 IonicContact ND1-OD2 3.39Å; H10-D12 PolarHBondContact ND1-OD2 2.93Å; H10-D12 PolarHBondContact O-N 3Å; H10-D13 HydrophobicContact CB-CB 4.37Å; H10-D13 VanDerWaalsContact CB-OD2 3.31Å; H10-D13 WeakPolarHBondContact CB-OD2 3.29Å; H10-D13 PolarHBondContact O-N 3.16Å
11T90.5Very high90.6Very high61 Ų6163.9 Ų63.937%0.37438%0.375SS..EExtended strand (participates in β ladder)trans-71.2-20.1176.943.70000112.5Q2 D13 Y24Q2-T11 HydrophobicContact CG-CG2 4.36Å; T11-D13 VanDerWaalsContact C-N 3.34Å; T11-Y24 WeakPolarHBondContact O-CE1 3.42Å
12D91.8Very high90.9Very high128 Ų12857.8 Ų57.868%0.68435%0.346SS*.EExtended strand (participates in β ladder)trans-81.9-17.1177.6-54.4-23.3000112.1H10 L14H10-D12 IonicContact CE1-OD2 3.84Å; H10-D12 PolarHBondContact CE1-OD2 3.14Å; H10-D12 VanDerWaalsContact ND1-CG 3.3Å; H10-D12 PolarHBondContact ND1-N 3.47Å; H10-D12 IonicContact ND1-OD1 2.96Å; H10-D12 IonicContact ND1-OD2 3.39Å; H10-D12 PolarHBondContact ND1-OD2 2.93Å; H10-D12 PolarHBondContact O-N 3Å; D12-L14 PolarHBondContact O-N 3.17Å
13D93.9Very high91Very high80 Ų8055.9 Ų55.943%0.42834%0.34SS..EExtended strand (participates in β ladder)trans-82.439.7177.3-72.7-40.1000111.8H10 T11 L15 Y24 K25H10-D13 HydrophobicContact CB-CB 4.37Å; H10-D13 VanDerWaalsContact CB-OD2 3.31Å; H10-D13 WeakPolarHBondContact CB-OD2 3.29Å; H10-D13 PolarHBondContact O-N 3.16Å; T11-D13 VanDerWaalsContact C-N 3.34Å; D13-L15 PolarHBondContact O-N 3.21Å; D13-Y24 CarbonylContact O-C 3.54Å; D13-Y24 WeakPolarHBondContact O-CA 3.26Å; D13-K25 HydrophobicContact CB-CB 4.13Å; D13-K25 PolarHBondContact O-N 2.99Å
14L93.8Very high91.1Very high75 Ų7555.1 Ų55.139%0.39333%0.33SS..EExtended strand (participates in β ladder)trans-70.1122.6179.9-176.371.9000110.2D12 G16 Q17 Y24D12-L14 PolarHBondContact O-N 3.17Å; L14-G16 WeakPolarHBondContact CD1-O 3.44Å; L14-Q17 HydrophobicContact CD2-CB 4.35Å; L14-Y24 HydrophobicContact CB-CD1 4.29Å; L14-Y24 HydrophobicContact CB-CE1 4.16Å; L14-Y24 HydrophobicContact CD1-CD1 4.06Å; L14-Y24 HydrophobicContact CD1-CE1 3.6Å; L14-Y24 HydrophobicContact CG-CE1 4.5Å
15L91.9Very high91.2Very high82 Ų8257.8 Ų57.843%0.42934%0.341SS..EExtended strand (participates in β ladder)trans-92.4-36.1176.1-63.6176.8000112.1D13 V23 K25 A36 Y88D13-L15 PolarHBondContact O-N 3.21Å; L15-V23 HydrophobicContact CB-CG1 4.34Å; L15-V23 WeakPolarHBondContact CB-O 3.41Å; L15-V23 HydrophobicContact CD1-CG1 4.34Å; L15-V23 PolarHBondContact N-O 2.94Å; L15-K25 HydrophobicContact CD1-CB 3.99Å; L15-K25 HydrophobicContact CD2-CB 4.03Å; L15-K25 HydrophobicContact CG-CB 4.03Å; L15-A36 HydrophobicContact CD1-CB 4.27Å; L15-Y88 HydrophobicContact CD1-CD2 3.77Å; L15-Y88 HydrophobicContact CD1-CE2 3.65Å; L15-Y88 HydrophobicContact CD2-CE2 3.87Å; L15-Y88 HydrophobicContact CG-CE2 4.43Å
16G86.9Confident91.4Very high31 Ų3154.3 Ų54.332%0.3231%0.312SS..EExtended strand (participates in β ladder)trans-167.2153.1-179.600000112L14 V23L14-G16 WeakPolarHBondContact CD1-O 3.44Å; G16-V23 PolarHBondContact N-O 3.21Å; G16-V23 PolarHBondContact O-N 3.15Å
17Q86.3Confident91.5Very high150 Ų15057.8 Ų57.870%0.70132%0.321SS*.EExtended strand (participates in β ladder)trans-134.2126.7179.2-174.2175.114.400109.6L14L14-Q17 HydrophobicContact CD2-CB 4.35Å
18G79.3Confident91.5Very high42 Ų4257.9 Ų57.943%0.43332%0.323SS..  trans-118.4-179.4174.700000111.8T20 A21G18-T20 PolarHBondContact O-N 3.44Å; G18-A21 PolarHBondContact N-O 2.99Å
19A77.9Confident91.5Very high92 Ų9259.7 Ų59.776%0.7633%0.329SS*.SBendtrans-64.9-24.3178.800000113.4N41A19-N41 PolarHBondContact O-ND2 3.15Å
20T81Confident91.5Very high40 Ų4068.2 Ų68.225%0.24537%0.366CS..SBendtrans-112.9-20.4-171.555.20000113.8G18 N41G18-T20 PolarHBondContact O-N 3.44Å; T20-N41 VanDerWaalsContact O-CG 3.32Å; T20-N41 PolarHBondContact O-N 2.89Å; T20-N41 PolarHBondContact O-OD1 3.13Å
21A88.7Confident91.6Very high4 Ų468.3 Ų68.33%0.03338%0.375CS..EExtended strand (participates in β ladder)trans-158.6161.2-173.800000112.4G18 K38 V39 F40G18-A21 PolarHBondContact N-O 2.99Å; A21-K38 HydrophobicContact CB-CD 4.15Å; A21-K38 HydrophobicContact CB-CG 3.62Å; A21-V39 CarbonylContact C-O 3.48Å; A21-V39 VanDerWaalsContact CA-O 3.24Å; A21-V39 WeakPolarHBondContact CA-O 3.37Å; A21-V39 WeakPolarHBondContact CB-O 3.28Å; A21-F40 HydrophobicContact CB-CD1 3.97Å; A21-F40 HydrophobicContact CB-CE1 4.38Å
22S92.1Very high91.8Very high17 Ų1767 Ų6712%0.11937%0.374CS..EExtended strand (participates in β ladder)trans-116.2139.6167.5-62.70000109.2Y24 V39S22-Y24 VanDerWaalsContact CB-CE2 3.47Å; S22-Y24 WeakPolarHBondContact CB-OH 3.3Å; S22-V39 PolarHBondContact N-O 3.24Å; S22-V39 PolarHBondContact O-N 2.95Å
23V94.9Very high92.1Very high32 Ų3265.9 Ų65.919%0.19437%0.365CS..EExtended strand (participates in β ladder)trans-110.3127.8179-174.30000108.8L15 G16 A36 V37 K38L15-V23 HydrophobicContact CB-CG1 4.34Å; L15-V23 WeakPolarHBondContact CB-O 3.41Å; L15-V23 HydrophobicContact CD1-CG1 4.34Å; L15-V23 PolarHBondContact N-O 2.94Å; G16-V23 PolarHBondContact N-O 3.21Å; G16-V23 PolarHBondContact O-N 3.15Å; V23-A36 HydrophobicContact CG1-CB 4.12Å; V23-V37 CarbonylContact C-O 3.55Å; V23-V37 WeakPolarHBondContact CA-O 3.1Å; V23-K38 HydrophobicContact CG2-CB 4.15Å; V23-K38 HydrophobicContact CG2-CG 3.97Å
24Y96.3Very high92.2Very high31 Ų3164.8 Ų64.812%0.12236%0.358CS..EExtended strand (participates in β ladder)trans-118.9149.1-178.2-59.7-86.8000111.3W9 T11 D13 L14 S22 A36 V37 V39W9-Y24 AromaticContact CD1-CD2 3.82Å; W9-Y24 AromaticContact CD1-CG 3.51Å; W9-Y24 HydrophobicContact CG-CG 4.37Å; W9-Y24 AromaticContact NE1-CD2 3.7Å; W9-Y24 AromaticContact NE1-CG 3.9Å; T11-Y24 WeakPolarHBondContact O-CE1 3.42Å; D13-Y24 CarbonylContact O-C 3.54Å; D13-Y24 WeakPolarHBondContact O-CA 3.26Å; L14-Y24 HydrophobicContact CB-CD1 4.29Å; L14-Y24 HydrophobicContact CB-CE1 4.16Å; L14-Y24 HydrophobicContact CD1-CD1 4.06Å; L14-Y24 HydrophobicContact CD1-CE1 3.6Å; L14-Y24 HydrophobicContact CG-CE1 4.5Å; S22-Y24 VanDerWaalsContact CB-CE2 3.47Å; S22-Y24 WeakPolarHBondContact CB-OH 3.3Å; Y24-A36 CarbonylContact O-C 3.59Å; Y24-A36 WeakPolarHBondContact O-CA 3.43Å; Y24-V37 PolarHBondContact N-O 2.92Å; Y24-V37 PolarHBondContact O-N 3.42Å; Y24-V39 HydrophobicContact CD2-CB 4.46Å; Y24-V39 HydrophobicContact CD2-CG2 3.81Å; Y24-V39 HydrophobicContact CE2-CB 4.17Å; Y24-V39 HydrophobicContact CE2-CG2 3.94Å
25K97.4Very high92.4Very high62 Ų6261.2 Ų61.227%0.2734%0.34SS..EExtended strand (participates in β ladder)trans-74.3129.6164.5-174.4-178.8179.7172.30108W9 D13 L15 L34 Y88W9-K25 VanDerWaalsContact CB-O 3.3Å; W9-K25 WeakPolarHBondContact CB-O 3.41Å; D13-K25 HydrophobicContact CB-CB 4.13Å; D13-K25 PolarHBondContact O-N 2.99Å; L15-K25 HydrophobicContact CD1-CB 3.99Å; L15-K25 HydrophobicContact CD2-CB 4.03Å; L15-K25 HydrophobicContact CG-CB 4.03Å; K25-L34 HydrophobicContact CD-CD2 4.46Å; K25-L34 VanDerWaalsContact CE-CD2 3.46Å; K25-L34 HydrophobicContact CG-CD2 4.26Å; K25-Y88 HydrophobicContact CD-CE1 4.32Å; K25-Y88 HydrophobicContact CD-CE2 4.37Å; K25-Y88 HydrophobicContact CG-CE1 4.49Å; K25-Y88 HydrophobicContact CG-CE2 4.21Å
26A97.3Very high92.7Very high3 Ų357.6 Ų57.63%0.02532%0.322CS..EExtended strand (participates in β ladder)trans-134.6172-174.800000110.7L8 W9 L34 V35 V37L8-A26 CarbonylContact O-C 3.32Å; L8-A26 VanDerWaalsContact O-CA 3.29Å; L8-A26 WeakPolarHBondContact O-CA 3.5Å; L8-A26 WeakPolarHBondContact O-CB 3.42Å; W9-A26 HydrophobicContact CB-CB 3.81Å; W9-A26 HydrophobicContact CE3-CB 4.38Å; A26-L34 WeakPolarHBondContact O-CA 3.41Å; A26-V35 HydrophobicContact CB-CG2 3.8Å; A26-V35 PolarHBondContact N-O 3.45Å; A26-V35 PolarHBondContact O-N 2.94Å; A26-V37 HydrophobicContact CB-CB 4.14Å; A26-V37 HydrophobicContact CB-CG2 3.41Å; A26-V37 VanDerWaalsContact CB-CG2 3.41Å
27R97.4Very high93.1Very high128 Ų12856.1 Ų56.148%0.48331%0.307SS..EExtended strand (participates in β ladder)trans-128.6143.2171.9-75.7179.1-166.5-89.96111.4Y7 L8 G32 E33 L34Y7-R27 WeakPolarHBondContact CA-O 3.47Å; L8-R27 PolarHBondContact N-O 2.98Å; L8-R27 PolarHBondContact O-N 2.99Å; R27-G32 PolarHBondContact NH1-O 2.91Å; R27-E33 CarbonylContact C-O 3.55Å; R27-E33 VanDerWaalsContact CA-O 3.29Å; R27-E33 WeakPolarHBondContact CA-O 3.38Å; R27-L34 HydrophobicContact CG-CD2 3.71Å
28N97.7Very high93.5Very high24 Ų2449.4 Ų49.413%0.12828%0.275CS..EExtended strand (participates in β ladder)trans-65.8127.4162.2-174.1-57.3000109.2Y7 K30 S31 G32 E33Y7-N28 HydrophobicContact CD1-CB 4.02Å; Y7-N28 HydrophobicContact CE1-CB 3.76Å; N28-K30 VanDerWaalsContact C-N 3.26Å; N28-K30 PolarHBondContact O-N 3.41Å; N28-K30 WeakPolarHBondContact OD1-CA 3.36Å; N28-K30 PolarHBondContact OD1-N 3.04Å; N28-S31 VanDerWaalsContact CB-OG 3.25Å; N28-S31 WeakPolarHBondContact CB-OG 3.34Å; N28-S31 VanDerWaalsContact CG-OG 3.22Å; N28-S31 PolarHBondContact OD1-N 2.96Å; N28-S31 PolarHBondContact OD1-OG 3.22Å; N28-G32 VanDerWaalsContact O-CA 3.27Å; N28-G32 WeakPolarHBondContact O-CA 3.38Å; N28-G32 PolarHBondContact O-N 2.95Å; N28-E33 HydrophobicContact CB-CB 4.33Å; N28-E33 PolarHBondContact N-O 3.22Å
29K96.4Very high94.1Very high95 Ų9548 Ų4841%0.41326%0.258SS..THydrogen-bonded Turntrans-63.8-29.1-177.5-75.3174.4176.4179.70113.4S3 T4 A5 N6 Y7 L8S3-K29 PolarHBondContact OG-NZ 3.38Å; T4-K29 PolarHBondContact O-NZ 3.47Å; A5-K29 WeakPolarHBondContact O-CD 3.38Å; N6-K29 VanDerWaalsContact O-CB 3.31Å; N6-K29 WeakPolarHBondContact O-CB 3.24Å; N6-K29 WeakPolarHBondContact O-CG 3.31Å; N6-K29 PolarHBondContact O-N 3.28Å; Y7-K29 WeakPolarHBondContact O-CE 3.49Å; L8-K29 HydrophobicContact CD2-CG 4.04Å
30K95.6Very high94.6Very high181 Ų18144.4 Ų44.479%0.78723%0.225SC*.THydrogen-bonded Turntrans-92.5-52.6-177.3-63.9-176.7-179.4178.70111.7N28N28-K30 VanDerWaalsContact C-N 3.26Å; N28-K30 PolarHBondContact O-N 3.41Å; N28-K30 WeakPolarHBondContact OD1-CA 3.36Å; N28-K30 PolarHBondContact OD1-N 3.04Å
31S96.4Very high94.8Very high76 Ų7644.7 Ų44.753%0.53123%0.225SC..THydrogen-bonded Turntrans-87.5-18.3-174.863.70000114N28 E33N28-S31 VanDerWaalsContact CB-OG 3.25Å; N28-S31 WeakPolarHBondContact CB-OG 3.34Å; N28-S31 VanDerWaalsContact CG-OG 3.22Å; N28-S31 PolarHBondContact OD1-N 2.96Å; N28-S31 PolarHBondContact OD1-OG 3.22Å; S31-E33 PolarHBondContact O-N 3.4Å; S31-E33 VanDerWaalsContact OG-CB 3.29Å; S31-E33 WeakPolarHBondContact OG-CB 3.4Å; S31-E33 PolarHBondContact OG-N 3.01Å
32G95.7Very high94.4Very high35 Ų3549.5 Ų49.536%0.36126%0.255SS..  trans73.8-2.4-172.900000114.7R27 N28R27-G32 PolarHBondContact NH1-O 2.91Å; N28-G32 VanDerWaalsContact O-CA 3.27Å; N28-G32 WeakPolarHBondContact O-CA 3.38Å; N28-G32 PolarHBondContact O-N 2.95Å
33E96.4Very high93.7Very high103 Ų10353 Ų5348%0.48128%0.276SS..  trans-56.5135.9179.3-175.2-177.9-169.500111.4R27 N28 S31R27-E33 CarbonylContact C-O 3.55Å; R27-E33 VanDerWaalsContact CA-O 3.29Å; R27-E33 WeakPolarHBondContact CA-O 3.38Å; N28-E33 HydrophobicContact CB-CB 4.33Å; N28-E33 PolarHBondContact N-O 3.22Å; S31-E33 PolarHBondContact O-N 3.4Å; S31-E33 VanDerWaalsContact OG-CB 3.29Å; S31-E33 WeakPolarHBondContact OG-CB 3.4Å; S31-E33 PolarHBondContact OG-N 3.01Å
34L97.2Very high92.9Very high57 Ų5751.8 Ų51.830%0.29827%0.268SS..EExtended strand (participates in β ladder)trans-77.8130.7177-72.7174.1000110.6K25 A26 R27 Y88K25-L34 HydrophobicContact CD-CD2 4.46Å; K25-L34 VanDerWaalsContact CE-CD2 3.46Å; K25-L34 HydrophobicContact CG-CD2 4.26Å; A26-L34 WeakPolarHBondContact O-CA 3.41Å; R27-L34 HydrophobicContact CG-CD2 3.71Å; L34-Y88 HydrophobicContact CB-CD1 3.83Å; L34-Y88 HydrophobicContact CB-CE1 4.49Å; L34-Y88 HydrophobicContact CD1-CD1 4.28Å; L34-Y88 HydrophobicContact CD1-CE1 4.17Å
35V97.5Very high92Very high0 Ų054 Ų540%028%0.277CS..EExtended strand (participates in β ladder)trans-135.7164.4178.4-570000110.6Y7 A26 V37 F71 V85Y7-V35 HydrophobicContact CD1-CG2 3.6Å; Y7-V35 HydrophobicContact CE1-CG1 4.13Å; Y7-V35 HydrophobicContact CE1-CG2 3.92Å; A26-V35 HydrophobicContact CB-CG2 3.8Å; A26-V35 PolarHBondContact N-O 3.45Å; A26-V35 PolarHBondContact O-N 2.94Å; V35-V37 HydrophobicContact CG2-CG2 4.19Å; V35-F71 HydrophobicContact CG1-CD2 4.04Å; V35-F71 HydrophobicContact CG1-CE2 4.02Å; V35-V85 HydrophobicContact CB-CG1 4.01Å; V35-V85 HydrophobicContact CG1-CG1 4.37Å; V35-V85 HydrophobicContact CG2-CG1 3.76Å
36A97.5Very high91.1Very high7 Ų758 Ų586%0.05830%0.3CS..EExtended strand (participates in β ladder)trans-101.9131.2170.200000109.3L15 V23 Y24 M86L15-A36 HydrophobicContact CD1-CB 4.27Å; V23-A36 HydrophobicContact CG1-CB 4.12Å; Y24-A36 CarbonylContact O-C 3.59Å; Y24-A36 WeakPolarHBondContact O-CA 3.43Å; A36-M86 PolarHBondContact N-O 2.9Å; A36-M86 PolarHBondContact O-N 3.49Å
37V96.4Very high90.3Very high0 Ų060.3 Ų60.30%031%0.309CS..EExtended strand (participates in β ladder)trans-115.4116177.9176.30000109.4W9 V23 Y24 A26 V35 V39 V83 L84 V85W9-V37 HydrophobicContact CD2-CG1 4.43Å; W9-V37 HydrophobicContact CE3-CB 4.34Å; W9-V37 HydrophobicContact CE3-CG1 4.15Å; W9-V37 HydrophobicContact CE3-CG2 4.25Å; W9-V37 HydrophobicContact CH2-CG1 4Å; W9-V37 HydrophobicContact CZ2-CG1 4.27Å; W9-V37 HydrophobicContact CZ3-CG1 3.93Å; W9-V37 HydrophobicContact CZ3-CG2 4.47Å; V23-V37 CarbonylContact C-O 3.55Å; V23-V37 WeakPolarHBondContact CA-O 3.1Å; Y24-V37 PolarHBondContact N-O 2.92Å; Y24-V37 PolarHBondContact O-N 3.42Å; A26-V37 HydrophobicContact CB-CB 4.14Å; A26-V37 HydrophobicContact CB-CG2 3.41Å; A26-V37 VanDerWaalsContact CB-CG2 3.41Å; V35-V37 HydrophobicContact CG2-CG2 4.19Å; V37-V39 HydrophobicContact CG1-CG2 3.94Å; V37-V83 HydrophobicContact CG1-CB 3.77Å; V37-V83 HydrophobicContact CG1-CG1 4.26Å; V37-V83 HydrophobicContact CG1-CG2 3.93Å; V37-L84 CarbonylContact C-O 3.53Å; V37-L84 WeakPolarHBondContact CA-O 3.46Å; V37-V85 HydrophobicContact CG2-CG1 4.46Å; V37-V85 HydrophobicContact CG2-CG2 4.37Å
38K94.9Very high89.5Confident9 Ų958.4 Ų58.44%0.03931%0.312CS..EExtended strand (participates in β ladder)trans-89.6113.9173.2-171.6175.6-163.1-177.90109.3A21 V23 F40 E55 V83 L84 M86 D157A21-K38 HydrophobicContact CB-CD 4.15Å; A21-K38 HydrophobicContact CB-CG 3.62Å; V23-K38 HydrophobicContact CG2-CB 4.15Å; V23-K38 HydrophobicContact CG2-CG 3.97Å; K38-F40 HydrophobicContact CD-CE1 4.47Å; K38-F40 HydrophobicContact CD-CZ 4.42Å; K38-E55 IonicContact NZ-OE1 2.71Å; K38-E55 PolarHBondContact NZ-OE1 3.38Å; K38-E55 IonicContact NZ-OE2 2.98Å; K38-E55 PolarHBondContact NZ-OE2 2.97Å; K38-V83 VanDerWaalsContact O-CA 3.24Å; K38-V83 WeakPolarHBondContact O-CA 3.41Å; K38-V83 WeakPolarHBondContact O-CB 3.21Å; K38-L84 HydrophobicContact CB-CB 4.17Å; K38-L84 HydrophobicContact CD-CD1 4.31Å; K38-L84 PolarHBondContact N-O 2.91Å; K38-L84 PolarHBondContact O-N 3.48Å; K38-M86 HydrophobicContact CB-CE 3.94Å; K38-D157 IonicContact NZ-OD1 3.78Å; K38-D157 PolarHBondContact NZ-OD1 3.44Å
39V91.9Very high88.5Confident12 Ų1267 Ų677%0.07334%0.343CS..EExtended strand (participates in β ladder)trans-104.1117.2179.2-1730000109.1W9 A21 S22 Y24 V37 V83W9-V39 HydrophobicContact CH2-CG2 4.47Å; W9-V39 HydrophobicContact CZ2-CG2 3.65Å; A21-V39 CarbonylContact C-O 3.48Å; A21-V39 VanDerWaalsContact CA-O 3.24Å; A21-V39 WeakPolarHBondContact CA-O 3.37Å; A21-V39 WeakPolarHBondContact CB-O 3.28Å; S22-V39 PolarHBondContact N-O 3.24Å; S22-V39 PolarHBondContact O-N 2.95Å; Y24-V39 HydrophobicContact CD2-CB 4.46Å; Y24-V39 HydrophobicContact CD2-CG2 3.81Å; Y24-V39 HydrophobicContact CE2-CB 4.17Å; Y24-V39 HydrophobicContact CE2-CG2 3.94Å; V37-V39 HydrophobicContact CG1-CG2 3.94Å; V39-V83 HydrophobicContact CB-CG1 4.34Å; V39-V83 HydrophobicContact CG1-CG1 4.25Å; V39-V83 HydrophobicContact CG2-CG1 3.95Å
40F88.8Confident87.6Confident17 Ų1770 Ų708%0.07536%0.359CS..EExtended strand (participates in β ladder)trans-75.1134179.5-69.5-72.6000111.8A21 K38 S44 Y45 K82 L84A21-F40 HydrophobicContact CB-CD1 3.97Å; A21-F40 HydrophobicContact CB-CE1 4.38Å; K38-F40 HydrophobicContact CD-CE1 4.47Å; K38-F40 HydrophobicContact CD-CZ 4.42Å; F40-S44 WeakPolarHBondContact CB-OG 3.5Å; F40-Y45 HydrophobicContact CB-CE2 4.25Å; F40-K82 WeakPolarHBondContact CD2-O 3.42Å; F40-L84 HydrophobicContact CE2-CD1 4.2Å; F40-L84 HydrophobicContact CE2-CD2 4.22Å; F40-L84 HydrophobicContact CE2-CG 3.82Å; F40-L84 HydrophobicContact CZ-CD1 3.92Å; F40-L84 HydrophobicContact CZ-CG 4.07Å
41N84.5Confident86.6Confident46 Ų4662.4 Ų62.425%0.24633%0.327CS..  trans-79.3167.4-179.167.121.5000112.3A19 T20 T43 S44 Y45A19-N41 PolarHBondContact O-ND2 3.15Å; T20-N41 VanDerWaalsContact O-CG 3.32Å; T20-N41 PolarHBondContact O-N 2.89Å; T20-N41 PolarHBondContact O-OD1 3.13Å; N41-T43 VanDerWaalsContact C-N 3.27Å; N41-T43 PolarHBondContact O-N 3.49Å; N41-T43 PolarHBondContact OD1-N 3.46Å; N41-S44 VanDerWaalsContact O-CB 3.31Å; N41-S44 WeakPolarHBondContact O-CB 3.49Å; N41-S44 PolarHBondContact O-N 2.75Å; N41-S44 PolarHBondContact O-OG 3.38Å; N41-S44 PolarHBondContact OD1-N 2.94Å; N41-Y45 VanDerWaalsContact O-CD2 3.3Å; N41-Y45 WeakPolarHBondContact O-CD2 3.39Å
42T80.8Confident85.7Confident105 Ų10561.6 Ų61.664%0.64432%0.315SS*.G310 helixtrans-57.8-38.7-178.5-44.60000112.6S44 Y45T42-S44 PolarHBondContact O-N 3.5Å; T42-Y45 WeakPolarHBondContact O-CB 3.45Å; T42-Y45 PolarHBondContact O-N 2.68Å; T42-Y45 VanDerWaalsContact O-N 3.11Å
43T77.1Confident85Confident91 Ų9161.8 Ų61.856%0.55831%0.309SS*.G310 helixtrans-59.9-32.7177.9-45.90000112.3N41 Y45 L46N41-T43 VanDerWaalsContact C-N 3.27Å; N41-T43 PolarHBondContact O-N 3.49Å; N41-T43 PolarHBondContact OD1-N 3.46Å; T43-Y45 VanDerWaalsContact C-N 3.26Å; T43-Y45 PolarHBondContact O-N 2.95Å; T43-L46 WeakPolarHBondContact O-CB 3.43Å; T43-L46 PolarHBondContact O-N 3.2Å; T43-L46 VanDerWaalsContact O-N 3.16Å
44S77.3Confident84.4Confident5 Ų559.2 Ų59.24%0.03530%0.295CS..G310 helixtrans-64.3-30.2178.678.70000113.2F40 N41 T42 L46 R47F40-S44 WeakPolarHBondContact CB-OG 3.5Å; N41-S44 VanDerWaalsContact O-CB 3.31Å; N41-S44 WeakPolarHBondContact O-CB 3.49Å; N41-S44 PolarHBondContact O-N 2.75Å; N41-S44 PolarHBondContact O-OG 3.38Å; N41-S44 PolarHBondContact OD1-N 2.94Å; T42-S44 PolarHBondContact O-N 3.5Å; S44-L46 VanDerWaalsContact C-N 3.26Å; S44-L46 PolarHBondContact O-N 3.07Å; S44-R47 WeakPolarHBondContact O-CB 3.29Å; S44-R47 PolarHBondContact O-N 3.39Å; S44-R47 PolarHBondContact O-NE 3.48Å
45Y77.6Confident83.9Confident77 Ų7756.9 Ų56.930%0.30228%0.282SS..G310 helixtrans-76.3-12.6177.8-68.1-84.7000113F40 N41 T42 T43 R47 Q52 Q81 K82F40-Y45 HydrophobicContact CB-CE2 4.25Å; N41-Y45 VanDerWaalsContact O-CD2 3.3Å; N41-Y45 WeakPolarHBondContact O-CD2 3.39Å; T42-Y45 WeakPolarHBondContact O-CB 3.45Å; T42-Y45 PolarHBondContact O-N 2.68Å; T42-Y45 VanDerWaalsContact O-N 3.11Å; T43-Y45 VanDerWaalsContact C-N 3.26Å; T43-Y45 PolarHBondContact O-N 2.95Å; Y45-R47 VanDerWaalsContact C-N 3.27Å; Y45-Q52 PolarHBondContact O-NE2 2.82Å; Y45-Q81 HydrophobicContact CE2-CG 4.1Å; Y45-Q81 WeakPolarHBondContact OH-CA 3.37Å; Y45-Q81 WeakPolarHBondContact OH-CB 3.36Å; Y45-K82 PolarHBondContact OH-N 3.43Å
46L79.7Confident83.4Confident147 Ų14759.1 Ų59.177%0.7729%0.293SS*.G310 helixtrans-78.8-11.9172-57.9176.4000112.5T43 S44T43-L46 WeakPolarHBondContact O-CB 3.43Å; T43-L46 PolarHBondContact O-N 3.2Å; T43-L46 VanDerWaalsContact O-N 3.16Å; S44-L46 VanDerWaalsContact C-N 3.26Å; S44-L46 PolarHBondContact O-N 3.07Å
47R79Confident83Confident52 Ų5262.4 Ų62.420%0.19631%0.306CS..SBendtrans-77.9157.7178.9-60.4-175.8-64.4167.71.3110.8S44 Y45 V51 Q52S44-R47 WeakPolarHBondContact O-CB 3.29Å; S44-R47 PolarHBondContact O-N 3.39Å; S44-R47 PolarHBondContact O-NE 3.48Å; Y45-R47 VanDerWaalsContact C-N 3.27Å; R47-V51 HydrophobicContact CB-CB 4.27Å; R47-V51 HydrophobicContact CB-CG1 4.29Å; R47-Q52 HydrophobicContact CB-CG 4.42Å; R47-Q52 PolarHBondContact O-NE2 3.37Å
48P80.6Confident82.7Confident87 Ų8762.4 Ų62.457%0.56531%0.307SS*.  trans-53.8144.1173.2-25.434.3000112.1E50 V51 Q52P48-E50 PolarHBondContact O-N 3.35Å; P48-E50 VanDerWaalsContact O-N 3.16Å; P48-V51 HydrophobicContact CB-CG2 4.23Å; P48-V51 HydrophobicContact CG-CG2 4.36Å; P48-V51 WeakPolarHBondContact O-CA 3.4Å; P48-V51 WeakPolarHBondContact O-CB 3.48Å; P48-V51 PolarHBondContact O-N 3.49Å; P48-Q52 PolarHBondContact O-N 2.95Å; P48-Q52 VanDerWaalsContact O-N 3.15Å
49R78.1Confident82.6Confident206 Ų20662.2 Ų62.278%0.77731%0.306SS*.Hα-helixtrans-52.9-40.8-176.1-174.8180179.2-154.6-0.4112.5V51 Q52 V53R49-V51 VanDerWaalsContact C-N 3.26Å; R49-V51 PolarHBondContact O-N 3.43Å; R49-Q52 WeakPolarHBondContact O-CB 3.38Å; R49-Q52 PolarHBondContact O-N 2.94Å; R49-V53 WeakPolarHBondContact O-CG2 3.48Å; R49-V53 PolarHBondContact O-N 2.89Å; R49-V53 VanDerWaalsContact O-N 3.09Å
50E76.2Confident82.5Confident157 Ų15769.4 Ų69.473%0.73433%0.332SS*.Hα-helixtrans-56.7-37.9176.1-64.7167.7-16200112.6P48 R54P48-E50 PolarHBondContact O-N 3.35Å; P48-E50 VanDerWaalsContact O-N 3.16Å; E50-R54 WeakPolarHBondContact O-CB 3.36Å; E50-R54 PolarHBondContact O-N 3.14Å
51V75.8Confident82.6Confident21 Ų2173.5 Ų73.513%0.12735%0.35CS..Hα-helixtrans-75.2-32.4177.2-1770000111.3R47 P48 R49R47-V51 HydrophobicContact CB-CB 4.27Å; R47-V51 HydrophobicContact CB-CG1 4.29Å; P48-V51 HydrophobicContact CB-CG2 4.23Å; P48-V51 HydrophobicContact CG-CG2 4.36Å; P48-V51 WeakPolarHBondContact O-CA 3.4Å; P48-V51 WeakPolarHBondContact O-CB 3.48Å; P48-V51 PolarHBondContact O-N 3.49Å; R49-V51 VanDerWaalsContact C-N 3.26Å; R49-V51 PolarHBondContact O-N 3.43Å
52Q76.7Confident83.2Confident59 Ų5972 Ų7228%0.27634%0.342SS..Hα-helixtrans-68.5-39.2178.8-61.8-178.730.400112.3Y45 R47 P48 R49Y45-Q52 PolarHBondContact O-NE2 2.82Å; R47-Q52 HydrophobicContact CB-CG 4.42Å; R47-Q52 PolarHBondContact O-NE2 3.37Å; P48-Q52 PolarHBondContact O-N 2.95Å; P48-Q52 VanDerWaalsContact O-N 3.15Å; R49-Q52 WeakPolarHBondContact O-CB 3.38Å; R49-Q52 PolarHBondContact O-N 2.94Å
53V81.4Confident83.8Confident39 Ų3973.3 Ų73.324%0.23635%0.345CS..Hα-helixtrans-89.9-12.4-177.5-57.80000113.6R49 E55 F56 E57R49-V53 WeakPolarHBondContact O-CG2 3.48Å; R49-V53 PolarHBondContact O-N 2.89Å; R49-V53 VanDerWaalsContact O-N 3.09Å; V53-E55 PolarHBondContact O-N 2.95Å; V53-F56 WeakPolarHBondContact O-CB 3.45Å; V53-F56 PolarHBondContact O-N 3.46Å; V53-F56 VanDerWaalsContact O-N 3.12Å; V53-E57 HydrophobicContact CG2-CG 4.45Å; V53-E57 PolarHBondContact O-N 2.98Å
54R83.7Confident84.8Confident50 Ų5072 Ų7219%0.18933%0.332CS..Hα-helixtrans-52.7-50.9-173.3-169.4-178-59.3160.6-7.1114E50 F56 E57 V58 A161E50-R54 WeakPolarHBondContact O-CB 3.36Å; E50-R54 PolarHBondContact O-N 3.14Å; R54-F56 PolarHBondContact O-N 2.96Å; R54-E57 PolarHBondContact O-N 3.39Å; R54-V58 HydrophobicContact CG-CG2 4.34Å; R54-V58 WeakPolarHBondContact O-CB 3.24Å; R54-V58 WeakPolarHBondContact O-CG2 3.44Å; R54-V58 PolarHBondContact O-N 3.03Å; R54-A161 WeakPolarHBondContact CD-O 3.49Å
55E86.4Confident85.7Confident7 Ų777.5 Ų77.53%0.03336%0.357CS..Hα-helixtrans-59.8-38.1-176.9-176.5168.5-171.600111.6K38 V53 L59 L84 F158K38-E55 IonicContact NZ-OE1 2.71Å; K38-E55 PolarHBondContact NZ-OE1 3.38Å; K38-E55 IonicContact NZ-OE2 2.98Å; K38-E55 PolarHBondContact NZ-OE2 2.97Å; V53-E55 PolarHBondContact O-N 2.95Å; E55-L59 HydrophobicContact CG-CD1 4.09Å; E55-L59 WeakPolarHBondContact O-CB 3.29Å; E55-L59 WeakPolarHBondContact O-CG 3.44Å; E55-L59 PolarHBondContact O-N 2.89Å; E55-L84 HydrophobicContact CG-CD1 3.86Å; E55-F158 HydrophobicContact CG-CB 4.06Å; E55-F158 PolarHBondContact OE1-N 3.25Å
56F86.7Confident86.6Confident48 Ų4874.2 Ų74.221%0.21135%0.345CS..Hα-helixtrans-67.8-48176.5160.1-110.1000112.5V53 R54 V58 L59 R60 L70 V73 L84V53-F56 WeakPolarHBondContact O-CB 3.45Å; V53-F56 PolarHBondContact O-N 3.46Å; V53-F56 VanDerWaalsContact O-N 3.12Å; R54-F56 PolarHBondContact O-N 2.96Å; F56-V58 VanDerWaalsContact C-N 3.32Å; F56-V58 PolarHBondContact O-N 3.43Å; F56-L59 PolarHBondContact O-N 3.08Å; F56-R60 HydrophobicContact CD2-CG 4.04Å; F56-R60 HydrophobicContact CE2-CG 3.73Å; F56-R60 HydrophobicContact CZ-CG 4.17Å; F56-R60 WeakPolarHBondContact O-CG 3.31Å; F56-R60 PolarHBondContact O-N 3.48Å; F56-L70 HydrophobicContact CD2-CD2 4.03Å; F56-L70 HydrophobicContact CE2-CD2 4.48Å; F56-V73 HydrophobicContact CD2-CB 4.16Å; F56-V73 HydrophobicContact CD2-CG2 3.17Å; F56-V73 HydrophobicContact CE2-CB 3.96Å; F56-V73 HydrophobicContact CE2-CG2 3.35Å; F56-V73 HydrophobicContact CG-CG2 4.14Å; F56-V73 HydrophobicContact CZ-CG2 4.48Å; F56-L84 HydrophobicContact CB-CD2 4.22Å
57E89.1Confident87.5Confident75 Ų7567.3 Ų67.335%0.3531%0.309SS..Hα-helixtrans-63.9-39.7-179.3-64.9-57.4156.300111.6V53 R54 R60V53-E57 HydrophobicContact CG2-CG 4.45Å; V53-E57 PolarHBondContact O-N 2.98Å; R54-E57 PolarHBondContact O-N 3.39Å; E57-R60 PolarHBondContact O-N 3.49Å
58V91.3Very high88.4Confident1 Ų165.1 Ų65.11%0.00630%0.301CS..Hα-helixtrans-60.8-54.8173.4168.30000110.4R54 F56 R60 K61 L62 I131 F158 A161R54-V58 HydrophobicContact CG-CG2 4.34Å; R54-V58 WeakPolarHBondContact O-CB 3.24Å; R54-V58 WeakPolarHBondContact O-CG2 3.44Å; R54-V58 PolarHBondContact O-N 3.03Å; F56-V58 VanDerWaalsContact C-N 3.32Å; F56-V58 PolarHBondContact O-N 3.43Å; V58-R60 PolarHBondContact O-N 3.33Å; V58-K61 PolarHBondContact O-N 3.27Å; V58-L62 HydrophobicContact CG1-CD1 3.88Å; V58-L62 WeakPolarHBondContact O-CG 3.37Å; V58-I131 HydrophobicContact CG1-CD1 4.04Å; V58-I131 HydrophobicContact CG1-CG1 4.45Å; V58-I131 HydrophobicContact CG1-CG2 3.95Å; V58-F158 HydrophobicContact CG1-CB 4.03Å; V58-F158 HydrophobicContact CG1-CD1 3.86Å; V58-F158 HydrophobicContact CG1-CG 4.1Å; V58-A161 HydrophobicContact CG1-CB 4.1Å; V58-A161 HydrophobicContact CG2-CB 4.29Å
59L91.7Very high89.1Confident4 Ų466.2 Ų66.22%0.02130%0.297CS..Hα-helixtrans-62-28.2-177.8-81.4171.3000113.6E55 F56 K61 L62 I68 L70 L84 M86 F158E55-L59 HydrophobicContact CG-CD1 4.09Å; E55-L59 WeakPolarHBondContact O-CB 3.29Å; E55-L59 WeakPolarHBondContact O-CG 3.44Å; E55-L59 PolarHBondContact O-N 2.89Å; F56-L59 PolarHBondContact O-N 3.08Å; L59-K61 VanDerWaalsContact C-N 3.29Å; L59-K61 PolarHBondContact O-N 2.97Å; L59-L62 PolarHBondContact O-N 3.35Å; L59-I68 HydrophobicContact CD2-CG2 4.05Å; L59-L70 HydrophobicContact CB-CB 4.11Å; L59-L70 HydrophobicContact CB-CD2 3.86Å; L59-L70 HydrophobicContact CD1-CD1 4.48Å; L59-L84 HydrophobicContact CD1-CD1 4.19Å; L59-M86 HydrophobicContact CD1-SD 4.48Å; L59-F158 HydrophobicContact CD1-CD2 4.36Å; L59-F158 HydrophobicContact CD2-CD2 3.36Å; L59-F158 HydrophobicContact CD2-CE2 3.56Å; L59-F158 HydrophobicContact CD2-CG 4.24Å; L59-F158 HydrophobicContact CG-CB 4.47Å; L59-F158 HydrophobicContact CG-CD2 3.82Å; L59-F158 HydrophobicContact CG-CE2 4.49Å; L59-F158 HydrophobicContact CG-CG 4.36Å
60R90.7Very high89.9Confident163 Ų16357.9 Ų57.962%0.61527%0.267SS*.Hα-helixtrans-67.5-26.9175.5-84.7-17467.8-173.111114.1F56 E57 V58 L70F56-R60 HydrophobicContact CD2-CG 4.04Å; F56-R60 HydrophobicContact CE2-CG 3.73Å; F56-R60 HydrophobicContact CZ-CG 4.17Å; F56-R60 WeakPolarHBondContact O-CG 3.31Å; F56-R60 PolarHBondContact O-N 3.48Å; E57-R60 PolarHBondContact O-N 3.49Å; V58-R60 PolarHBondContact O-N 3.33Å; R60-L70 HydrophobicContact CG-CD2 4.19Å
61K91.2Very high90.8Very high104 Ų10454 Ų5445%0.45225%0.248SC..Hα-helixtrans-82.6-17.7177.6-65.8177.7176.1-177.60112.2V58 L59 E163V58-K61 PolarHBondContact O-N 3.27Å; L59-K61 VanDerWaalsContact C-N 3.29Å; L59-K61 PolarHBondContact O-N 2.97Å; K61-E163 IonicContact NZ-OE1 3.65Å; K61-E163 PolarHBondContact NZ-OE1 3.46Å; K61-E163 IonicContact NZ-OE2 3.99Å; K61-E163 PolarHBondContact NZ-OE2 3.19Å
62L95.3Very high91.7Very high15 Ų1554.2 Ų54.28%0.07925%0.252CS..  trans-98.4126.6-172.4-60.3175.8000111.6V58 L59 I67 L126 N129 I131 F158V58-L62 HydrophobicContact CG1-CD1 3.88Å; V58-L62 WeakPolarHBondContact O-CG 3.37Å; L59-L62 PolarHBondContact O-N 3.35Å; L62-I67 HydrophobicContact CB-CG2 4Å; L62-I67 HydrophobicContact CD1-CG2 4.07Å; L62-L126 HydrophobicContact CD1-CD2 3.49Å; L62-L126 VanDerWaalsContact CD1-CD2 3.49Å; L62-L126 HydrophobicContact CD2-CD2 3.75Å; L62-L126 HydrophobicContact CG-CD2 4.28Å; L62-N129 HydrophobicContact CD2-CB 4.2Å; L62-I131 HydrophobicContact CD1-CD1 4.26Å; L62-I131 HydrophobicContact CD2-CD1 3.59Å; L62-I131 HydrophobicContact CG-CD1 3.97Å; L62-F158 HydrophobicContact CD1-CD1 4.2Å; L62-F158 HydrophobicContact CD1-CE1 3.79Å; L62-F158 HydrophobicContact CD1-CZ 3.97Å
63N94.8Very high92.4Very high132 Ų13253.9 Ų53.971%0.70625%0.254SS*.  trans-146.399170.8-178.330000109.6
64H97.5Very high93Very high64 Ų6453.3 Ų53.330%0.29625%0.249SC..  trans-155.5152.8-176.4-174-100.5000110.8N66 I67 H125H64-N66 PolarHBondContact CE1-OD1 3.1Å; H64-N66 PolarHBondContact ND1-N 3.49Å; H64-N66 VanDerWaalsContact ND1-N 3.13Å; H64-N66 PolarHBondContact O-N 3.06Å; H64-I67 HydrophobicContact CB-CB 4.43Å; H64-I67 HydrophobicContact CB-CG1 3.98Å; H64-I67 PolarHBondContact O-N 3.05Å; H64-I67 VanDerWaalsContact O-N 3.14Å; H64-H125 HydrophobicContact CB-CB 4.21Å; H64-H125 AromaticContact CD2-ND1 3.82Å; H64-H125 AromaticContact CG-CG 3.74Å; H64-H125 AromaticContact CG-ND1 3.87Å
65Q96.1Very high93.3Very high119 Ų11955.7 Ų55.756%0.55626%0.262SS*.THydrogen-bonded Turntrans-58.6-35.8-177.6-171.7-178.155.900112.1I152 K154Q65-I152 HydrophobicContact CG-CG2 4.06Å; Q65-K154 WeakPolarHBondContact O-CE 3.31Å; Q65-K154 WeakPolarHBondContact O-CG 3.37Å; Q65-K154 PolarHBondContact O-NZ 3.28Å
66N97.9Very high93.4Very high8 Ų855.8 Ų55.84%0.04326%0.263CS..THydrogen-bonded Turntrans-94.616.6-178.4-53.9107.9000114.7H64 C118 A121 Y153 K154 L155H64-N66 PolarHBondContact CE1-OD1 3.1Å; H64-N66 PolarHBondContact ND1-N 3.49Å; H64-N66 VanDerWaalsContact ND1-N 3.13Å; H64-N66 PolarHBondContact O-N 3.06Å; N66-C118 VanDerWaalsContact CB-O 3.24Å; N66-C118 WeakPolarHBondContact CB-O 3.48Å; N66-C118 WeakPolarHBondContact ND2-CA 3.31Å; N66-C118 VanDerWaalsContact ND2-CB 3.25Å; N66-C118 WeakPolarHBondContact ND2-CB 3.36Å; N66-C118 PolarHBondContact ND2-SG 3.42Å; N66-C118 VanDerWaalsContact ND2-SG 3.35Å; N66-A121 WeakPolarHBondContact OD1-CB 3.44Å; N66-Y153 WeakPolarHBondContact CA-O 3.34Å; N66-Y153 PolarHBondContact ND2-O 3.31Å; N66-K154 CarbonylContact O-C 3.07Å; N66-K154 VanDerWaalsContact O-CA 3.3Å; N66-K154 WeakPolarHBondContact O-CA 3.48Å; N66-L155 PolarHBondContact O-N 2.97Å
67I98Very high92.8Very high3 Ų356.8 Ų56.82%0.01529%0.287CS..BIsolated β-bridgetrans-118.9141.6170-56-63000108.1L62 H64 K69 L126 L155 F158L62-I67 HydrophobicContact CB-CG2 4Å; L62-I67 HydrophobicContact CD1-CG2 4.07Å; H64-I67 HydrophobicContact CB-CB 4.43Å; H64-I67 HydrophobicContact CB-CG1 3.98Å; H64-I67 PolarHBondContact O-N 3.05Å; H64-I67 VanDerWaalsContact O-N 3.14Å; I67-K69 PolarHBondContact O-N 3.25Å; I67-L126 HydrophobicContact CD1-CD2 3.85Å; I67-L126 HydrophobicContact CD1-CG 4.13Å; I67-L155 HydrophobicContact CD1-CB 3.97Å; I67-L155 HydrophobicContact CD1-CD1 4.08Å; I67-L155 HydrophobicContact CD1-CG 4.33Å; I67-F158 HydrophobicContact CD1-CZ 4.18Å; I67-F158 HydrophobicContact CG2-CE2 3.97Å; I67-F158 HydrophobicContact CG2-CZ 3.79Å
68I96.9Very high92Very high6 Ų657.2 Ų57.23%0.03131%0.311CS..PPolyproline II helixtrans-61.5129.4175.4-160.868.1000110L59 L70 M86 E87 C89 K154 L155 T156 F158L59-I68 HydrophobicContact CD2-CG2 4.05Å; I68-L70 PolarHBondContact O-N 3.46Å; I68-M86 HydrophobicContact CG1-CB 4.34Å; I68-E87 HydrophobicContact CD1-CB 3.82Å; I68-E87 HydrophobicContact CD1-CG 4.24Å; I68-E87 HydrophobicContact CG1-CB 4.27Å; I68-C89 VanDerWaalsContact CD1-SG 3.58Å; I68-K154 HydrophobicContact CD1-CD 4.43Å; I68-L155 PolarHBondContact N-O 2.92Å; I68-T156 WeakPolarHBondContact CG2-OG1 3.2Å; I68-F158 HydrophobicContact CG2-CE2 4.21Å
69K95.7Very high91Very high110 Ų11060.4 Ų60.448%0.47833%0.334SS..PPolyproline II helixtrans-77127.5-179.5-170.5170.2179.8176.60110.8I67 F71 M86 E87I67-K69 PolarHBondContact O-N 3.25Å; K69-F71 HydrophobicContact CD-CD1 4.22Å; K69-F71 HydrophobicContact CD-CE1 3.73Å; K69-F71 HydrophobicContact CG-CD1 4.22Å; K69-F71 HydrophobicContact CG-CE1 4.08Å; K69-M86 CarbonylContact O-C 3.54Å; K69-M86 VanDerWaalsContact O-CA 3.24Å; K69-M86 WeakPolarHBondContact O-CA 3.5Å; K69-E87 HydrophobicContact CB-CB 4.07Å; K69-E87 PolarHBondContact N-OE2 3.28Å; K69-E87 PolarHBondContact O-N 2.88Å
70L95.8Very high90.5Very high30 Ų3069.6 Ų69.616%0.15737%0.368CS..EExtended strand (participates in β ladder)trans-84.9120.4166-179.971.1000108.8F56 L59 R60 I68 V73 L84 M86F56-L70 HydrophobicContact CD2-CD2 4.03Å; F56-L70 HydrophobicContact CE2-CD2 4.48Å; L59-L70 HydrophobicContact CB-CB 4.11Å; L59-L70 HydrophobicContact CB-CD2 3.86Å; L59-L70 HydrophobicContact CD1-CD1 4.48Å; R60-L70 HydrophobicContact CG-CD2 4.19Å; I68-L70 PolarHBondContact O-N 3.46Å; L70-V73 HydrophobicContact CD1-CG2 4.32Å; L70-V73 HydrophobicContact CD2-CG2 4.31Å; L70-L84 HydrophobicContact CD1-CB 3.98Å; L70-L84 HydrophobicContact CD1-CD2 4.41Å; L70-M86 HydrophobicContact CD1-CG 4.16Å
71F94.8Very high90.1Very high76 Ų7663.8 Ų63.833%0.33335%0.348SS..EExtended strand (participates in β ladder)trans-88.4-46.4176.6-67-50.6000112.3V35 K69 V85 E87V35-F71 HydrophobicContact CG1-CD2 4.04Å; V35-F71 HydrophobicContact CG1-CE2 4.02Å; K69-F71 HydrophobicContact CD-CD1 4.22Å; K69-F71 HydrophobicContact CD-CE1 3.73Å; K69-F71 HydrophobicContact CG-CD1 4.22Å; K69-F71 HydrophobicContact CG-CE1 4.08Å; F71-V85 HydrophobicContact CB-CG1 4.33Å; F71-V85 HydrophobicContact CD2-CG1 4.47Å; F71-V85 PolarHBondContact N-O 3.25Å; F71-E87 HydrophobicContact CE2-CB 4.26Å; F71-E87 HydrophobicContact CZ-CB 4.31Å
72A93.4Very high89.9Confident26 Ų2663.2 Ų63.222%0.21535%0.346CS..EExtended strand (participates in β ladder)trans-158.5161.9-175.300000111.7E74 V85A72-E74 HydrophobicContact CB-CG 4.38Å; A72-V85 HydrophobicContact CB-CB 4.23Å; A72-V85 HydrophobicContact CB-CG2 4.33Å; A72-V85 PolarHBondContact N-O 3.17Å; A72-V85 PolarHBondContact O-N 2.96Å
73V92.6Very high89.7Confident51 Ų5162.5 Ų62.531%0.30934%0.342SS..EExtended strand (participates in β ladder)trans-119.5123.5162.9176.80000108.2F56 L70 V83 L84F56-V73 HydrophobicContact CD2-CB 4.16Å; F56-V73 HydrophobicContact CD2-CG2 3.17Å; F56-V73 HydrophobicContact CE2-CB 3.96Å; F56-V73 HydrophobicContact CE2-CG2 3.35Å; F56-V73 HydrophobicContact CG-CG2 4.14Å; F56-V73 HydrophobicContact CZ-CG2 4.48Å; L70-V73 HydrophobicContact CD1-CG2 4.32Å; L70-V73 HydrophobicContact CD2-CG2 4.31Å; V73-V83 WeakPolarHBondContact CA-O 3.44Å; V73-L84 HydrophobicContact CG1-CD2 4.36Å; V73-L84 HydrophobicContact CG2-CD2 3.49Å; V73-L84 VanDerWaalsContact CG2-CD2 3.49Å
74E92.8Very high89.7Confident28 Ų2856.3 Ų56.313%0.13131%0.309CS..EExtended strand (participates in β ladder)trans-129.2173-177.5-65.1-162.7173.900110.8T4 A5 N6 Y7 A72 K82 V83T4-E74 WeakPolarHBondContact CB-OE2 3.48Å; T4-E74 HydrophobicContact CG2-CB 3.91Å; T4-E74 PolarHBondContact OG1-OE2 3.47Å; A5-E74 PolarHBondContact N-OE2 3.41Å; N6-E74 WeakPolarHBondContact CB-OE1 3.3Å; N6-E74 PolarHBondContact N-OE2 2.84Å; N6-E74 VanDerWaalsContact N-OE2 3.15Å; N6-E74 PolarHBondContact ND2-OE1 3.29Å; Y7-E74 WeakPolarHBondContact CD2-OE2 3.4Å; Y7-E74 WeakPolarHBondContact CE2-OE1 3.43Å; A72-E74 HydrophobicContact CB-CG 4.38Å; E74-K82 CarbonylContact O-C 3.6Å; E74-K82 WeakPolarHBondContact O-CA 3.49Å; E74-V83 HydrophobicContact CB-CG2 4.19Å; E74-V83 PolarHBondContact N-O 3.38Å; E74-V83 VanDerWaalsContact N-O 3.14Å; E74-V83 PolarHBondContact O-N 2.9Å
75E90.5Very high89.7Confident99 Ų9953.3 Ų53.346%0.46330%0.295SS..EExtended strand (participates in β ladder)trans-115.6143.3174.8-65.5-178174.500110.3T4 Q81 K82T4-E75 WeakPolarHBondContact CB-O 3.33Å; T4-E75 WeakPolarHBondContact CG2-O 3.36Å; E75-Q81 CarbonylContact C-O 3.59Å; E75-Q81 WeakPolarHBondContact CA-O 3.48Å; E75-K82 HydrophobicContact CG-CG 4.39Å
76T88.1Confident89.7Confident9 Ų948 Ų486%0.05527%0.271CS..  trans-67.6139.7169.856.60000110.2W9 G78 S79 R80 Q81 V83W9-T76 HydrophobicContact CH2-CG2 4.08Å; W9-T76 HydrophobicContact CZ2-CG2 4.3Å; T76-G78 PolarHBondContact O-N 2.94Å; T76-S79 PolarHBondContact OG1-OG 3.47Å; T76-R80 VanDerWaalsContact O-CA 3.32Å; T76-R80 WeakPolarHBondContact O-CA 3.49Å; T76-R80 PolarHBondContact O-N 3.49Å; T76-R80 PolarHBondContact OG1-N 3.2Å; T76-Q81 HydrophobicContact CG2-CB 4.33Å; T76-Q81 PolarHBondContact N-O 2.94Å; T76-Q81 WeakPolarHBondContact OG1-CB 3.18Å; T76-Q81 PolarHBondContact OG1-N 3.44Å; T76-V83 HydrophobicContact CG2-CG1 3.87Å
77G75Confident89.6Confident69 Ų6949.6 Ų49.671%0.71128%0.277SS*.THydrogen-bonded Turntrans-60.8-41.9-173.200000114.6S3S3-G77 PolarHBondContact O-N 2.96Å
78G71.3Confident89.5Confident84 Ų8451.6 Ų51.687%0.86629%0.285SS*.THydrogen-bonded Turntrans-88.5-42.4-17500000115T76T76-G78 PolarHBondContact O-N 2.94Å
79S71Confident89.4Confident69 Ų6951.6 Ų51.648%0.48329%0.286SS..THydrogen-bonded Turntrans-99.6-3.4-173.853.60000114.2T76 Q81T76-S79 PolarHBondContact OG1-OG 3.47Å; S79-Q81 PolarHBondContact O-N 3.13Å; S79-Q81 WeakPolarHBondContact OG-CG 3.3Å; S79-Q81 PolarHBondContact OG-OE1 3.37Å
80R80.5Confident89.2Confident196 Ų19650.2 Ų50.274%0.7429%0.29SS*.  trans46.731.7-172.9-66.6-172.3172.7175.3-3.2113.1T76T76-R80 VanDerWaalsContact O-CA 3.32Å; T76-R80 WeakPolarHBondContact O-CA 3.49Å; T76-R80 PolarHBondContact O-N 3.49Å; T76-R80 PolarHBondContact OG1-N 3.2Å
81Q83.3Confident89.1Confident42 Ų4250.7 Ų50.720%0.19630%0.295CS..  trans-77.1128.7177.6-72.1172.7-56.600108.3Y45 E75 T76 S79Y45-Q81 HydrophobicContact CE2-CG 4.1Å; Y45-Q81 WeakPolarHBondContact OH-CA 3.37Å; Y45-Q81 WeakPolarHBondContact OH-CB 3.36Å; E75-Q81 CarbonylContact C-O 3.59Å; E75-Q81 WeakPolarHBondContact CA-O 3.48Å; T76-Q81 HydrophobicContact CG2-CB 4.33Å; T76-Q81 PolarHBondContact N-O 2.94Å; T76-Q81 WeakPolarHBondContact OG1-CB 3.18Å; T76-Q81 PolarHBondContact OG1-N 3.44Å; S79-Q81 PolarHBondContact O-N 3.13Å; S79-Q81 WeakPolarHBondContact OG-CG 3.3Å; S79-Q81 PolarHBondContact OG-OE1 3.37Å
82K86.1Confident89.1Confident91 Ų9148.1 Ų48.140%0.39629%0.291SS..EExtended strand (participates in β ladder)trans-63.8139.5171.9-67.4-170.5176.4-169.90109.8F40 Y45 E74 E75F40-K82 WeakPolarHBondContact CD2-O 3.42Å; Y45-K82 PolarHBondContact OH-N 3.43Å; E74-K82 CarbonylContact O-C 3.6Å; E74-K82 WeakPolarHBondContact O-CA 3.49Å; E75-K82 HydrophobicContact CG-CG 4.39Å
83V92.1Very high89.2Confident0 Ų047.6 Ų47.60%029%0.285CS..EExtended strand (participates in β ladder)trans-131.8144.4173.7-53.10000110.2T4 W9 V37 K38 V39 V73 E74 T76 V85T4-V83 HydrophobicContact CG2-CG2 3.5Å; T4-V83 VanDerWaalsContact CG2-CG2 3.5Å; W9-V83 HydrophobicContact CH2-CG1 4.39Å; V37-V83 HydrophobicContact CG1-CB 3.77Å; V37-V83 HydrophobicContact CG1-CG1 4.26Å; V37-V83 HydrophobicContact CG1-CG2 3.93Å; K38-V83 VanDerWaalsContact O-CA 3.24Å; K38-V83 WeakPolarHBondContact O-CA 3.41Å; K38-V83 WeakPolarHBondContact O-CB 3.21Å; V39-V83 HydrophobicContact CB-CG1 4.34Å; V39-V83 HydrophobicContact CG1-CG1 4.25Å; V39-V83 HydrophobicContact CG2-CG1 3.95Å; V73-V83 WeakPolarHBondContact CA-O 3.44Å; E74-V83 HydrophobicContact CB-CG2 4.19Å; E74-V83 PolarHBondContact N-O 3.38Å; E74-V83 VanDerWaalsContact N-O 3.14Å; E74-V83 PolarHBondContact O-N 2.9Å; T76-V83 HydrophobicContact CG2-CG1 3.87Å; V83-V85 HydrophobicContact CG2-CG2 4.49Å
84L94.7Very high89.5Confident3 Ų345.1 Ų45.12%0.01627%0.271CS..EExtended strand (participates in β ladder)trans-96.3125.5171.2-50.5-177.5000108.6V37 K38 F40 E55 F56 L59 L70 V73 M86V37-L84 CarbonylContact C-O 3.53Å; V37-L84 WeakPolarHBondContact CA-O 3.46Å; K38-L84 HydrophobicContact CB-CB 4.17Å; K38-L84 HydrophobicContact CD-CD1 4.31Å; K38-L84 PolarHBondContact N-O 2.91Å; K38-L84 PolarHBondContact O-N 3.48Å; F40-L84 HydrophobicContact CE2-CD1 4.2Å; F40-L84 HydrophobicContact CE2-CD2 4.22Å; F40-L84 HydrophobicContact CE2-CG 3.82Å; F40-L84 HydrophobicContact CZ-CD1 3.92Å; F40-L84 HydrophobicContact CZ-CG 4.07Å; E55-L84 HydrophobicContact CG-CD1 3.86Å; F56-L84 HydrophobicContact CB-CD2 4.22Å; L59-L84 HydrophobicContact CD1-CD1 4.19Å; L70-L84 HydrophobicContact CD1-CB 3.98Å; L70-L84 HydrophobicContact CD1-CD2 4.41Å; V73-L84 HydrophobicContact CG1-CD2 4.36Å; V73-L84 HydrophobicContact CG2-CD2 3.49Å; V73-L84 VanDerWaalsContact CG2-CD2 3.49Å; L84-M86 HydrophobicContact CB-CG 4.23Å; L84-M86 HydrophobicContact CB-SD 4.38Å
85V96.5Very high89.6Confident0 Ų046.6 Ų46.60%028%0.279CS..EExtended strand (participates in β ladder)trans-99.4118.8173.7-171.70000108.1Y7 V35 V37 F71 A72 V83Y7-V85 HydrophobicContact CD1-CG1 3.95Å; Y7-V85 HydrophobicContact CD2-CG1 4.23Å; Y7-V85 HydrophobicContact CD2-CG2 3.75Å; Y7-V85 HydrophobicContact CE1-CG1 3.62Å; Y7-V85 HydrophobicContact CE2-CB 4.3Å; Y7-V85 HydrophobicContact CE2-CG1 3.94Å; Y7-V85 HydrophobicContact CE2-CG2 3.82Å; Y7-V85 HydrophobicContact CG-CG1 4.24Å; Y7-V85 HydrophobicContact CG-CG2 4.27Å; V35-V85 HydrophobicContact CB-CG1 4.01Å; V35-V85 HydrophobicContact CG1-CG1 4.37Å; V35-V85 HydrophobicContact CG2-CG1 3.76Å; V37-V85 HydrophobicContact CG2-CG1 4.46Å; V37-V85 HydrophobicContact CG2-CG2 4.37Å; F71-V85 HydrophobicContact CB-CG1 4.33Å; F71-V85 HydrophobicContact CD2-CG1 4.47Å; F71-V85 PolarHBondContact N-O 3.25Å; A72-V85 HydrophobicContact CB-CB 4.23Å; A72-V85 HydrophobicContact CB-CG2 4.33Å; A72-V85 PolarHBondContact N-O 3.17Å; A72-V85 PolarHBondContact O-N 2.96Å; V83-V85 HydrophobicContact CG2-CG2 4.49Å
86M96.6Very high89.8Confident9 Ų944.7 Ų44.74%0.04428%0.277CS..EExtended strand (participates in β ladder)trans-129.7163.7-170.2-55.5179.2-59.200111.3A36 K38 L59 I68 K69 L70 L84A36-M86 PolarHBondContact N-O 2.9Å; A36-M86 PolarHBondContact O-N 3.49Å; K38-M86 HydrophobicContact CB-CE 3.94Å; L59-M86 HydrophobicContact CD1-SD 4.48Å; I68-M86 HydrophobicContact CG1-CB 4.34Å; K69-M86 CarbonylContact O-C 3.54Å; K69-M86 VanDerWaalsContact O-CA 3.24Å; K69-M86 WeakPolarHBondContact O-CA 3.5Å; L70-M86 HydrophobicContact CD1-CG 4.16Å; L84-M86 HydrophobicContact CB-CG 4.23Å; L84-M86 HydrophobicContact CB-SD 4.38Å
87E95.9Very high90.2Very high40 Ų4045.4 Ų45.419%0.18728%0.281CS..EExtended strand (participates in β ladder)trans-51.5135.6168.2-179.5176.5-159.200111.5I68 K69 F71 L144 K154I68-E87 HydrophobicContact CD1-CB 3.82Å; I68-E87 HydrophobicContact CD1-CG 4.24Å; I68-E87 HydrophobicContact CG1-CB 4.27Å; K69-E87 HydrophobicContact CB-CB 4.07Å; K69-E87 PolarHBondContact N-OE2 3.28Å; K69-E87 PolarHBondContact O-N 2.88Å; F71-E87 HydrophobicContact CE2-CB 4.26Å; F71-E87 HydrophobicContact CZ-CB 4.31Å; E87-L144 VanDerWaalsContact OE1-CD1 3.26Å; E87-L144 WeakPolarHBondContact OE1-CD1 3.45Å; E87-K154 VanDerWaalsContact OE1-CE 3.29Å; E87-K154 WeakPolarHBondContact OE1-CE 3.45Å; E87-K154 IonicContact OE1-NZ 3.59Å; E87-K154 PolarHBondContact OE1-NZ 3.08Å; E87-K154 WeakPolarHBondContact OE2-CD 3.35Å; E87-K154 VanDerWaalsContact OE2-CE 3.3Å; E87-K154 WeakPolarHBondContact OE2-CE 3.46Å; E87-K154 IonicContact OE2-NZ 3.89Å; E87-K154 PolarHBondContact OE2-NZ 3.44Å
88Y96.3Very high91.2Very high46 Ų4642.6 Ų42.618%0.1825%0.249CC..  trans-96.6112.6176.8173.3-119.9000111.1L15 K25 L34 S90L15-Y88 HydrophobicContact CD1-CD2 3.77Å; L15-Y88 HydrophobicContact CD1-CE2 3.65Å; L15-Y88 HydrophobicContact CD2-CE2 3.87Å; L15-Y88 HydrophobicContact CG-CE2 4.43Å; K25-Y88 HydrophobicContact CD-CE1 4.32Å; K25-Y88 HydrophobicContact CD-CE2 4.37Å; K25-Y88 HydrophobicContact CG-CE1 4.49Å; K25-Y88 HydrophobicContact CG-CE2 4.21Å; L34-Y88 HydrophobicContact CB-CD1 3.83Å; L34-Y88 HydrophobicContact CB-CE1 4.49Å; L34-Y88 HydrophobicContact CD1-CD1 4.28Å; L34-Y88 HydrophobicContact CD1-CE1 4.17Å; Y88-S90 PolarHBondContact O-N 3.42Å
89C95.3Very high92.2Very high6 Ų642.5 Ų42.54%0.04123%0.226CC..  trans-88.699.5174.5-61.10000111.4I68 S91 G92 M142 R143 L144I68-C89 VanDerWaalsContact CD1-SG 3.58Å; C89-S91 PolarHBondContact O-N 3.12Å; C89-G92 PolarHBondContact O-N 3.19Å; C89-M142 HydrophobicContact CB-CB 3.79Å; C89-M142 HydrophobicContact CB-CE 3.85Å; C89-M142 HydrophobicContact CB-CG 4.47Å; C89-R143 WeakPolarHBondContact CB-O 3.38Å; C89-L144 HydrophobicContact CB-CD2 4.04Å; C89-L144 HydrophobicContact CB-CG 4.19Å
90S91.5Very high93.3Very high81 Ų8140.9 Ų40.957%0.56622%0.215SC*.THydrogen-bonded Turntrans-65.8-22.4-174620000114.6Y88 G92Y88-S90 PolarHBondContact O-N 3.42Å; S90-G92 VanDerWaalsContact C-N 3.33Å
91S93.6Very high94Very high39 Ų3931.9 Ų31.927%0.27318%0.182SC..THydrogen-bonded Turntrans-91.813.4-178.3-57.90000114.2C89 R143C89-S91 PolarHBondContact O-N 3.12Å; S91-R143 WeakPolarHBondContact CB-O 3.43Å
92G94.1Very high94.5Very high23 Ų2334.1 Ų34.124%0.23719%0.193CC..  trans73.1-150.6176.700000113C89 S90 R143C89-G92 PolarHBondContact O-N 3.19Å; S90-G92 VanDerWaalsContact C-N 3.33Å; G92-R143 PolarHBondContact O-N 2.72Å
93S96.4Very high95Very high14 Ų1430.8 Ų30.810%0.09818%0.179CC..BIsolated β-bridgetrans-110.3165.7-179.362.30000112.3L95 S96 V97 I141S93-L95 PolarHBondContact O-N 2.61Å; S93-S96 PolarHBondContact N-OG 2.78Å; S93-S96 WeakPolarHBondContact O-CA 3.34Å; S93-S96 WeakPolarHBondContact O-CB 3.43Å; S93-S96 PolarHBondContact O-N 2.92Å; S93-S96 PolarHBondContact OG-N 2.9Å; S93-S96 PolarHBondContact OG-OG 2.82Å; S93-V97 PolarHBondContact O-N 3.24Å; S93-V97 VanDerWaalsContact O-N 3.16Å; S93-I141 CarbonylContact C-O 3.59Å; S93-I141 VanDerWaalsContact CA-O 3.26Å; S93-I141 WeakPolarHBondContact CA-O 3.48Å; S93-I141 WeakPolarHBondContact CB-O 3.46Å
94L97.8Very high95.2Very high0 Ų032.1 Ų32.10%019%0.19CC..Hα-helixtrans-54.9-35.2170.5177.761.6000111.2S96 V97 L98 L107 V115 P138 I141 Y153 T210L94-S96 VanDerWaalsContact C-N 3.29Å; L94-S96 PolarHBondContact O-N 2.97Å; L94-V97 WeakPolarHBondContact O-CB 3.36Å; L94-V97 PolarHBondContact O-N 2.82Å; L94-V97 VanDerWaalsContact O-N 3.14Å; L94-L98 HydrophobicContact CD1-CD1 4.48Å; L94-L98 HydrophobicContact CD1-CG 4.3Å; L94-L98 HydrophobicContact CG-CD1 4.14Å; L94-L98 HydrophobicContact CG-CG 4.4Å; L94-L98 WeakPolarHBondContact O-CG 3.33Å; L94-L98 PolarHBondContact O-N 3.43Å; L94-L107 HydrophobicContact CD1-CD1 4.07Å; L94-V115 HydrophobicContact CD1-CG2 3.86Å; L94-V115 HydrophobicContact CD2-CG1 3.95Å; L94-V115 HydrophobicContact CD2-CG2 4.48Å; L94-P138 HydrophobicContact CB-CB 4.21Å; L94-P138 WeakPolarHBondContact CB-O 3.43Å; L94-P138 HydrophobicContact CD2-CB 4.26Å; L94-P138 HydrophobicContact CG-CB 4.07Å; L94-P138 PolarHBondContact N-O 3.06Å; L94-I141 HydrophobicContact CB-CB 4Å; L94-I141 HydrophobicContact CB-CG2 4.12Å; L94-I141 HydrophobicContact CD2-CB 4.43Å; L94-I141 HydrophobicContact CD2-CD1 3.94Å; L94-I141 HydrophobicContact CD2-CG2 4.37Å; L94-I141 PolarHBondContact N-O 3.41Å; L94-Y153 HydrophobicContact CB-CD1 4.45Å; L94-Y153 HydrophobicContact CB-CE1 4.16Å; L94-Y153 HydrophobicContact CD1-CE1 3.92Å; L94-T210 HydrophobicContact CD2-CG2 4.25Å
95L95.4Very high95.2Very high58 Ų5834 Ų3430%0.30420%0.198SC..Hα-helixtrans-58.7-41.8172-177.262.1000111.8S93 V97 L98 E99 P138S93-L95 PolarHBondContact O-N 2.61Å; L95-V97 VanDerWaalsContact C-N 3.27Å; L95-V97 PolarHBondContact O-N 2.93Å; L95-L98 PolarHBondContact O-N 3.24Å; L95-E99 HydrophobicContact CD1-CG 4.4Å; L95-E99 HydrophobicContact CG-CG 4.43Å; L95-E99 WeakPolarHBondContact O-CB 3.36Å; L95-E99 WeakPolarHBondContact O-CG 3.47Å; L95-E99 PolarHBondContact O-N 3.05Å; L95-P138 HydrophobicContact CB-CB 3.86Å; L95-P138 HydrophobicContact CD1-CB 4.4Å; L95-P138 PolarHBondContact N-O 3.36Å
96S93.7Very high95.3Very high60 Ų6034 Ų3442%0.4220%0.198SC..Hα-helixtrans-63.4-36.1177.8-51.90000111.5S93 L94S93-S96 PolarHBondContact N-OG 2.78Å; S93-S96 WeakPolarHBondContact O-CA 3.34Å; S93-S96 WeakPolarHBondContact O-CB 3.43Å; S93-S96 PolarHBondContact O-N 2.92Å; S93-S96 PolarHBondContact OG-N 2.9Å; S93-S96 PolarHBondContact OG-OG 2.82Å; L94-S96 VanDerWaalsContact C-N 3.29Å; L94-S96 PolarHBondContact O-N 2.97Å
97V96.3Very high95.3Very high23 Ų2333.6 Ų33.614%0.13920%0.196CC..Hα-helixtrans-67.1-47.4174.9-179.20000110.9S93 L94 L95 E99 S100 N103 L107S93-V97 PolarHBondContact O-N 3.24Å; S93-V97 VanDerWaalsContact O-N 3.16Å; L94-V97 WeakPolarHBondContact O-CB 3.36Å; L94-V97 PolarHBondContact O-N 2.82Å; L94-V97 VanDerWaalsContact O-N 3.14Å; L95-V97 VanDerWaalsContact C-N 3.27Å; L95-V97 PolarHBondContact O-N 2.93Å; V97-E99 VanDerWaalsContact C-N 3.28Å; V97-E99 PolarHBondContact O-N 3.3Å; V97-S100 WeakPolarHBondContact O-CB 3.41Å; V97-S100 PolarHBondContact O-N 3.5Å; V97-S100 VanDerWaalsContact O-N 3.17Å; V97-N103 WeakPolarHBondContact CG1-ND2 3.4Å; V97-N103 PolarHBondContact O-ND2 3.41Å; V97-L107 HydrophobicContact CG1-CD2 3.7Å
98L96.3Very high95.4Very high10 Ų1033.9 Ų33.95%0.05220%0.202CC..Hα-helixtrans-68.8-25.8178.5-64.2174.4000112.9L94 L95 S100 L107 P138L94-L98 HydrophobicContact CD1-CD1 4.48Å; L94-L98 HydrophobicContact CD1-CG 4.3Å; L94-L98 HydrophobicContact CG-CD1 4.14Å; L94-L98 HydrophobicContact CG-CG 4.4Å; L94-L98 WeakPolarHBondContact O-CG 3.33Å; L94-L98 PolarHBondContact O-N 3.43Å; L95-L98 PolarHBondContact O-N 3.24Å; L98-S100 PolarHBondContact O-N 2.65Å; L98-L107 HydrophobicContact CD2-CD2 3.85Å; L98-L107 HydrophobicContact CD2-CG 3.91Å; L98-P138 HydrophobicContact CD1-CB 4.03Å; L98-P138 HydrophobicContact CD1-CG 4Å
99E92.5Very high95.5Very high82 Ų8232.9 Ų32.938%0.38320%0.199SC..THydrogen-bonded Turntrans-72.7-15.1173.9-81.4-172.8174.800113.7L95 V97 K416L95-E99 HydrophobicContact CD1-CG 4.4Å; L95-E99 HydrophobicContact CG-CG 4.43Å; L95-E99 WeakPolarHBondContact O-CB 3.36Å; L95-E99 WeakPolarHBondContact O-CG 3.47Å; L95-E99 PolarHBondContact O-N 3.05Å; V97-E99 VanDerWaalsContact C-N 3.28Å; V97-E99 PolarHBondContact O-N 3.3Å; E99-K416 WeakPolarHBondContact O-CE 3.46Å; E99-K416 PolarHBondContact O-NZ 3.43Å; E99-K416 VanDerWaalsContact O-NZ 3.13Å
100S94.5Very high95.5Very high36 Ų3638 Ų3825%0.25223%0.226SC..SBendtrans-61.9131.8171.8-1750000110.1V97 L98 E102 N103V97-S100 WeakPolarHBondContact O-CB 3.41Å; V97-S100 PolarHBondContact O-N 3.5Å; V97-S100 VanDerWaalsContact O-N 3.17Å; L98-S100 PolarHBondContact O-N 2.65Å; S100-E102 PolarHBondContact O-N 3.2Å; S100-E102 VanDerWaalsContact O-N 3.1Å; S100-N103 PolarHBondContact O-N 3.27Å
101P94.7Very high95.8Very high7 Ų735.5 Ų35.55%0.04521%0.205CC..G310 helixtrans-55.8-27.5175.3-22.231000113.5N103 A104 K416 L419 G420 Y423 Y554P101-N103 PolarHBondContact O-N 2.86Å; P101-A104 VanDerWaalsContact O-CB 3.27Å; P101-A104 WeakPolarHBondContact O-CB 3.45Å; P101-A104 PolarHBondContact O-N 3.21Å; P101-K416 HydrophobicContact CG-CG 4.31Å; P101-L419 HydrophobicContact CB-CB 3.61Å; P101-L419 HydrophobicContact CB-CD1 4.48Å; P101-L419 HydrophobicContact CG-CB 4.13Å; P101-L419 HydrophobicContact CG-CD1 4.16Å; P101-G420 WeakPolarHBondContact O-CA 3.31Å; P101-Y423 HydrophobicContact CB-CD2 4Å; P101-Y423 HydrophobicContact CB-CE2 4Å; P101-Y554 HydrophobicContact CG-CE1 3.95Å; P101-Y554 HydrophobicContact CG-CE2 4.48Å
102E95.3Very high96Very high89 Ų8933.7 Ų33.742%0.41619%0.192SC..G310 helixtrans-59.3-33.6176.2-70.4174.4-155.900112.4S100 Y423 R427S100-E102 PolarHBondContact O-N 3.2Å; S100-E102 VanDerWaalsContact O-N 3.1Å; E102-Y423 HydrophobicContact CB-CD2 4.41Å; E102-Y423 HydrophobicContact CB-CG 4.4Å; E102-Y423 HydrophobicContact CG-CD1 3.57Å; E102-Y423 HydrophobicContact CG-CD2 3.68Å; E102-Y423 HydrophobicContact CG-CE1 3.33Å; E102-Y423 HydrophobicContact CG-CE2 3.49Å; E102-Y423 VanDerWaalsContact CG-CE2 3.49Å; E102-Y423 HydrophobicContact CG-CG 3.7Å; E102-Y423 WeakPolarHBondContact OE1-CE1 3.45Å; E102-Y423 VanDerWaalsContact OE1-CZ 3.27Å; E102-Y423 PolarHBondContact OE1-OH 3.12Å; E102-R427 PolarHBondContact O-NH1 3.04Å
103N96.8Very high96.2Very high21 Ų2134 Ų3411%0.11219%0.188CC..G310 helixtrans-101.616.5-177.1-60.7-39.2000112.9V97 S100 P101 F105 G106 L107V97-N103 WeakPolarHBondContact CG1-ND2 3.4Å; V97-N103 PolarHBondContact O-ND2 3.41Å; S100-N103 PolarHBondContact O-N 3.27Å; P101-N103 PolarHBondContact O-N 2.86Å; N103-F105 PolarHBondContact O-N 3.12Å; N103-G106 WeakPolarHBondContact CA-O 3.41Å; N103-G106 PolarHBondContact O-N 3.3Å; N103-L107 HydrophobicContact CB-CD2 4.31Å
104A94.7Very high96.3Very high28 Ų2834.8 Ų34.823%0.23119%0.192CC..THydrogen-bonded Turntrans-57.7-21.3179.700000113.6P101P101-A104 VanDerWaalsContact O-CB 3.27Å; P101-A104 WeakPolarHBondContact O-CB 3.45Å; P101-A104 PolarHBondContact O-N 3.21Å
105F95.7Very high96.3Very high41 Ų4134.8 Ų34.818%0.1819%0.192CC..THydrogen-bonded Turntrans-118.830.5178-58.8-77.7000112.5N103 T216 T266 G420 Q424N103-F105 PolarHBondContact O-N 3.12Å; F105-T216 VanDerWaalsContact C-C 3.45Å; F105-T216 CarbonylContact C-O 3.51Å; F105-T216 VanDerWaalsContact CA-O 3.31Å; F105-T216 WeakPolarHBondContact CA-O 3.36Å; F105-T266 HydrophobicContact CD1-CG2 4.15Å; F105-T266 HydrophobicContact CE1-CG2 4.26Å; F105-G420 WeakPolarHBondContact CE2-O 3.24Å; F105-Q424 HydrophobicContact CD2-CB 3.81Å; F105-Q424 HydrophobicContact CD2-CG 4.1Å; F105-Q424 HydrophobicContact CE2-CB 3.74Å; F105-Q424 HydrophobicContact CE2-CG 4.19Å
106G97.3Very high96.5Very high0 Ų032.1 Ų32.10%018%0.178CC..  trans100.3172.717900000113.3N103 A214 T216 G217 Q268N103-G106 WeakPolarHBondContact CA-O 3.41Å; N103-G106 PolarHBondContact O-N 3.3Å; G106-A214 CarbonylContact C-O 3.51Å; G106-A214 WeakPolarHBondContact CA-O 3.46Å; G106-T216 PolarHBondContact N-O 3.49Å; G106-G217 VanDerWaalsContact CA-N 3.34Å; G106-Q268 PolarHBondContact O-NE2 3.09Å
107L98.4Very high96.7Very high1 Ų135.1 Ų35.11%0.00518%0.181CC..  trans-78.4153.6174.8-63176.7000111.4L94 V97 L98 N103 E111 F112 V115 A214L94-L107 HydrophobicContact CD1-CD1 4.07Å; V97-L107 HydrophobicContact CG1-CD2 3.7Å; L98-L107 HydrophobicContact CD2-CD2 3.85Å; L98-L107 HydrophobicContact CD2-CG 3.91Å; N103-L107 HydrophobicContact CB-CD2 4.31Å; L107-E111 HydrophobicContact CD1-CG 4.22Å; L107-E111 HydrophobicContact CD2-CG 4.41Å; L107-F112 HydrophobicContact CB-CB 4.27Å; L107-V115 HydrophobicContact CD1-CG2 3.77Å; L107-A214 HydrophobicContact CD1-CB 4.06Å; L107-A214 PolarHBondContact N-O 3.37Å
108P97.1Very high96.8Very high47 Ų4734.6 Ų34.631%0.30518%0.178SC..  trans-50.7148.2158.1-26.837.7000111.8D110 E111 F112P108-D110 VanDerWaalsContact C-N 3.33Å; P108-D110 WeakPolarHBondContact CB-OD1 3.4Å; P108-D110 PolarHBondContact O-N 3.01Å; P108-E111 PolarHBondContact O-N 2.98Å; P108-F112 WeakPolarHBondContact O-CB 3.47Å; P108-F112 PolarHBondContact O-N 2.83Å
109E97.7Very high96.9Very high25 Ų2534.3 Ų34.312%0.11718%0.177CC..Hα-helixtrans-59.3-40.4-174177.3162.6131.300113.3F112 L113 L269 S270 L273 H323 Y325E109-F112 PolarHBondContact O-N 3.18Å; E109-L113 HydrophobicContact CG-CD1 4.49Å; E109-L113 WeakPolarHBondContact O-CG 3.34Å; E109-L113 PolarHBondContact O-N 3.22Å; E109-L269 HydrophobicContact CB-CD2 4.13Å; E109-L269 HydrophobicContact CG-CD2 4.45Å; E109-S270 PolarHBondContact OE1-OG 3.5Å; E109-S270 WeakPolarHBondContact OE2-CA 3.47Å; E109-S270 WeakPolarHBondContact OE2-CB 3.34Å; E109-S270 PolarHBondContact OE2-N 3.04Å; E109-S270 PolarHBondContact OE2-OG 3.16Å; E109-L273 HydrophobicContact CG-CD2 3.71Å; E109-H323 IonicContact OE1-CE1 2.68Å; E109-H323 IonicContact OE1-CG 2.86Å; E109-H323 IonicContact OE1-ND1 3.47Å; E109-H323 PolarHBondContact OE1-ND1 3.22Å; E109-H323 IonicContact OE2-ND1 3.82Å; E109-Y325 VanDerWaalsContact CD-OH 3.27Å; E109-Y325 PolarHBondContact OE1-OH 2.99Å
110D96Very high97.1Very high113 Ų11330.9 Ų30.960%0.60416%0.161SC*.Hα-helixtrans-62.3-50.1176.559-39.3000112P108 F112 L113 V114P108-D110 VanDerWaalsContact C-N 3.33Å; P108-D110 WeakPolarHBondContact CB-OD1 3.4Å; P108-D110 PolarHBondContact O-N 3.01Å; D110-F112 VanDerWaalsContact C-N 3.31Å; D110-F112 PolarHBondContact O-N 3.01Å; D110-L113 PolarHBondContact O-N 3.24Å; D110-V114 WeakPolarHBondContact O-CG2 3.4Å; D110-V114 PolarHBondContact O-N 2.96Å; D110-V114 VanDerWaalsContact O-N 3.08Å
111E97.7Very high97.3Very high29 Ų2930.7 Ų30.714%0.13616%0.162CC..Hα-helixtrans-66-35.7177.3-173.677.6153.400111.1L107 P108 V114 V115 R143 S151 Y153L107-E111 HydrophobicContact CD1-CG 4.22Å; L107-E111 HydrophobicContact CD2-CG 4.41Å; P108-E111 PolarHBondContact O-N 2.98Å; E111-V114 PolarHBondContact O-N 3.27Å; E111-V115 WeakPolarHBondContact O-CG2 3.33Å; E111-V115 PolarHBondContact O-N 3.05Å; E111-R143 IonicContact OE1-CZ 2.73Å; E111-R143 IonicContact OE1-NE 2.76Å; E111-R143 PolarHBondContact OE1-NE 2.9Å; E111-R143 VanDerWaalsContact OE1-NE 3.08Å; E111-R143 IonicContact OE1-NH2 3.26Å; E111-R143 PolarHBondContact OE1-NH2 3.45Å; E111-S151 PolarHBondContact OE1-OG 3.34Å; E111-S151 WeakPolarHBondContact OE2-CB 3.39Å; E111-S151 PolarHBondContact OE2-OG 2.88Å; E111-Y153 VanDerWaalsContact CD-OH 3.28Å; E111-Y153 PolarHBondContact OE1-OH 2.99Å
112F98.6Very high97.4Very high0 Ų030.4 Ų30.40%016%0.16CC..Hα-helixtrans-60.8-44.6174179.6-90000111.9L107 P108 E109 D110 V114 V115 L116 L211 A214 A215 L269 L273 L277L107-F112 HydrophobicContact CB-CB 4.27Å; P108-F112 WeakPolarHBondContact O-CB 3.47Å; P108-F112 PolarHBondContact O-N 2.83Å; E109-F112 PolarHBondContact O-N 3.18Å; D110-F112 VanDerWaalsContact C-N 3.31Å; D110-F112 PolarHBondContact O-N 3.01Å; F112-V114 VanDerWaalsContact C-N 3.28Å; F112-V114 PolarHBondContact O-N 3.44Å; F112-V115 WeakPolarHBondContact O-CB 3.46Å; F112-V115 PolarHBondContact O-N 3.29Å; F112-L116 PolarHBondContact O-N 3.06Å; F112-L211 HydrophobicContact CE2-CD2 4.5Å; F112-L211 WeakPolarHBondContact CE2-O 3.49Å; F112-L211 HydrophobicContact CZ-CD2 4.34Å; F112-A214 HydrophobicContact CD2-CB 4.02Å; F112-A214 HydrophobicContact CE2-CB 4.04Å; F112-A215 HydrophobicContact CD2-CB 4.22Å; F112-A215 HydrophobicContact CE2-CB 3.76Å; F112-A215 HydrophobicContact CZ-CB 4.39Å; F112-L269 HydrophobicContact CB-CD2 3.87Å; F112-L269 HydrophobicContact CD1-CD1 4.1Å; F112-L269 HydrophobicContact CD1-CD2 4.16Å; F112-L269 HydrophobicContact CD2-CD1 4.42Å; F112-L269 HydrophobicContact CE1-CD1 4.14Å; F112-L269 HydrophobicContact CE2-CD1 4.46Å; F112-L269 HydrophobicContact CG-CD1 4.26Å; F112-L269 HydrophobicContact CG-CD2 3.92Å; F112-L269 HydrophobicContact CZ-CD1 4.33Å; F112-L273 HydrophobicContact CD1-CD2 4.02Å; F112-L273 HydrophobicContact CE1-CD2 4.42Å; F112-L277 HydrophobicContact CE1-CD1 4.34Å; F112-L277 HydrophobicContact CE1-CD2 3.77Å; F112-L277 HydrophobicContact CE2-CD2 4.26Å; F112-L277 HydrophobicContact CZ-CD1 4Å; F112-L277 HydrophobicContact CZ-CD2 3.4Å; F112-L277 HydrophobicContact CZ-CG 4.36Å
113L98.4Very high97.4Very high30 Ų3026.3 Ų26.316%0.15714%0.141CC..Hα-helixtrans-64.4-33.6176.2-72.3173.3000112.1E109 D110 L116 R117 L273 I305 L306 Y325E109-L113 HydrophobicContact CG-CD1 4.49Å; E109-L113 WeakPolarHBondContact O-CG 3.34Å; E109-L113 PolarHBondContact O-N 3.22Å; D110-L113 PolarHBondContact O-N 3.24Å; L113-L116 HydrophobicContact CD2-CD2 4.46Å; L113-L116 PolarHBondContact O-N 3.22Å; L113-R117 WeakPolarHBondContact O-CB 3.42Å; L113-R117 PolarHBondContact O-N 2.93Å; L113-L273 HydrophobicContact CD2-CD1 4.05Å; L113-L273 HydrophobicContact CD2-CD2 4.09Å; L113-L273 HydrophobicContact CG-CD2 4.28Å; L113-I305 HydrophobicContact CD2-CG2 4.29Å; L113-L306 HydrophobicContact CD2-CD2 4.43Å; L113-Y325 HydrophobicContact CD1-CE1 4.48Å
114V97.9Very high97.4Very high30 Ų3027.9 Ų27.918%0.18215%0.149CC..Hα-helixtrans-66.7-43.5173.3175.50000111.3D110 E111 F112 R117 C118 S151 Y153D110-V114 WeakPolarHBondContact O-CG2 3.4Å; D110-V114 PolarHBondContact O-N 2.96Å; D110-V114 VanDerWaalsContact O-N 3.08Å; E111-V114 PolarHBondContact O-N 3.27Å; F112-V114 VanDerWaalsContact C-N 3.28Å; F112-V114 PolarHBondContact O-N 3.44Å; V114-R117 PolarHBondContact O-N 3.41Å; V114-C118 WeakPolarHBondContact O-CB 3.49Å; V114-C118 PolarHBondContact O-N 3.42Å; V114-C118 PolarHBondContact O-SG 2.93Å; V114-S151 WeakPolarHBondContact CG1-O 3.31Å; V114-Y153 HydrophobicContact CG1-CD2 4.01Å; V114-Y153 HydrophobicContact CG1-CE2 3.99Å
115V98.5Very high97.5Very high0 Ų027.7 Ų27.70%014%0.144CC..Hα-helixtrans-57.9-50.6172.1171.60000110.3L94 L107 E111 F112 R117 C118 V119 Y153L94-V115 HydrophobicContact CD1-CG2 3.86Å; L94-V115 HydrophobicContact CD2-CG1 3.95Å; L94-V115 HydrophobicContact CD2-CG2 4.48Å; L107-V115 HydrophobicContact CD1-CG2 3.77Å; E111-V115 WeakPolarHBondContact O-CG2 3.33Å; E111-V115 PolarHBondContact O-N 3.05Å; F112-V115 WeakPolarHBondContact O-CB 3.46Å; F112-V115 PolarHBondContact O-N 3.29Å; V115-R117 PolarHBondContact O-N 3.48Å; V115-C118 PolarHBondContact O-N 3.29Å; V115-V119 HydrophobicContact CG1-CG2 4.08Å; V115-V119 WeakPolarHBondContact O-CB 3.38Å; V115-V119 VanDerWaalsContact O-CG2 3.27Å; V115-V119 WeakPolarHBondContact O-CG2 3.36Å; V115-V119 PolarHBondContact O-N 3.14Å; V115-Y153 HydrophobicContact CB-CD2 4.45Å; V115-Y153 HydrophobicContact CB-CE2 4.29Å; V115-Y153 HydrophobicContact CG2-CD2 3.82Å; V115-Y153 HydrophobicContact CG2-CE1 4.06Å; V115-Y153 HydrophobicContact CG2-CE2 3.29Å; V115-Y153 HydrophobicContact CG2-CG 4.39Å
116L98.6Very high97.5Very high2 Ų225.8 Ų25.81%0.0114%0.135CC..Hα-helixtrans-55.6-52.2179.7-179.364000110.8F112 L113 C118 V120 L211 T302 I305 L306F112-L116 PolarHBondContact O-N 3.06Å; L113-L116 HydrophobicContact CD2-CD2 4.46Å; L113-L116 PolarHBondContact O-N 3.22Å; L116-C118 PolarHBondContact O-N 2.98Å; L116-V120 HydrophobicContact CD1-CG2 3.91Å; L116-V120 HydrophobicContact CG-CG2 4.41Å; L116-V120 WeakPolarHBondContact O-CB 3.4Å; L116-V120 WeakPolarHBondContact O-CG2 3.32Å; L116-V120 PolarHBondContact O-N 2.91Å; L116-L211 HydrophobicContact CD1-CD1 4.02Å; L116-L211 HydrophobicContact CD1-CD2 4.06Å; L116-T302 HydrophobicContact CD1-CG2 4.02Å; L116-I305 HydrophobicContact CD2-CG2 4.32Å; L116-L306 HydrophobicContact CD2-CD2 4.1Å; L116-L306 HydrophobicContact CD2-CG 4.28Å; L116-L306 HydrophobicContact CG-CD1 4.47Å; L116-L306 HydrophobicContact CG-CD2 4.32Å
117R98.3Very high97.2Very high124 Ų12428.6 Ų28.647%0.46815%0.146SC..Hα-helixtrans-56.8-50.9179.5-169.2-171.6-47.2-79.7-3.5112.4L113 V114 V115 A121 L306L113-R117 WeakPolarHBondContact O-CB 3.42Å; L113-R117 PolarHBondContact O-N 2.93Å; V114-R117 PolarHBondContact O-N 3.41Å; V115-R117 PolarHBondContact O-N 3.48Å; R117-A121 VanDerWaalsContact O-CB 3.28Å; R117-A121 WeakPolarHBondContact O-CB 3.46Å; R117-A121 PolarHBondContact O-N 3.32Å; R117-L306 HydrophobicContact CB-CD1 4.1Å; R117-L306 HydrophobicContact CB-CD2 3.94Å; R117-L306 HydrophobicContact CG-CD1 4.28Å
118C98.1Very high96.9Very high11 Ų1134.8 Ų34.87%0.07418%0.175CC..Hα-helixtrans-68.5-42.8-175.7-69.80000112.4N66 V114 V115 L116 G122 Y153N66-C118 VanDerWaalsContact CB-O 3.24Å; N66-C118 WeakPolarHBondContact CB-O 3.48Å; N66-C118 WeakPolarHBondContact ND2-CA 3.31Å; N66-C118 VanDerWaalsContact ND2-CB 3.25Å; N66-C118 WeakPolarHBondContact ND2-CB 3.36Å; N66-C118 PolarHBondContact ND2-SG 3.42Å; N66-C118 VanDerWaalsContact ND2-SG 3.35Å; V114-C118 WeakPolarHBondContact O-CB 3.49Å; V114-C118 PolarHBondContact O-N 3.42Å; V114-C118 PolarHBondContact O-SG 2.93Å; V115-C118 PolarHBondContact O-N 3.29Å; L116-C118 PolarHBondContact O-N 2.98Å; C118-G122 PolarHBondContact O-N 2.93Å; C118-Y153 HydrophobicContact CB-CD2 4.39Å; C118-Y153 PolarHBondContact SG-N 3.27Å
119V97.8Very high96.7Very high5 Ų535.4 Ų35.43%0.0318%0.175CC..Hα-helixtrans-67.5-44.8179.4172.30000110.3V115 G122 M123 I141V115-V119 HydrophobicContact CG1-CG2 4.08Å; V115-V119 WeakPolarHBondContact O-CB 3.38Å; V115-V119 VanDerWaalsContact O-CG2 3.27Å; V115-V119 WeakPolarHBondContact O-CG2 3.36Å; V115-V119 PolarHBondContact O-N 3.14Å; V119-G122 PolarHBondContact O-N 3.33Å; V119-M123 HydrophobicContact CG1-CG 4.37Å; V119-M123 WeakPolarHBondContact O-CB 3.21Å; V119-M123 VanDerWaalsContact O-CG 3.26Å; V119-M123 WeakPolarHBondContact O-CG 3.49Å; V119-M123 PolarHBondContact O-N 3.42Å; V119-I141 HydrophobicContact CG2-CD1 3.93Å; V119-I141 HydrophobicContact CG2-CG2 4.24Å
120V97.2Very high96.4Very high10 Ų1035.7 Ų35.76%0.06119%0.185CC..Hα-helixtrans-60-47.2176.8166.60000111.1L116 G122 M123 N124 F298 F299 T302L116-V120 HydrophobicContact CD1-CG2 3.91Å; L116-V120 HydrophobicContact CG-CG2 4.41Å; L116-V120 WeakPolarHBondContact O-CB 3.4Å; L116-V120 WeakPolarHBondContact O-CG2 3.32Å; L116-V120 PolarHBondContact O-N 2.91Å; V120-G122 PolarHBondContact O-N 3.07Å; V120-M123 PolarHBondContact O-N 3.38Å; V120-N124 WeakPolarHBondContact O-CB 3.46Å; V120-N124 PolarHBondContact O-N 2.92Å; V120-F298 HydrophobicContact CG2-CE1 4.13Å; V120-F298 HydrophobicContact CG2-CZ 3.99Å; V120-F299 HydrophobicContact CG1-CD1 3.92Å; V120-F299 HydrophobicContact CG1-CE1 4.34Å; V120-T302 HydrophobicContact CG2-CG2 4.05Å
121A98.1Very high96.2Very high32 Ų3230.6 Ų30.626%0.26416%0.158SC..Hα-helixtrans-64.2-41.6178.400000112.5N66 R117 M123 N124 H125N66-A121 WeakPolarHBondContact OD1-CB 3.44Å; R117-A121 VanDerWaalsContact O-CB 3.28Å; R117-A121 WeakPolarHBondContact O-CB 3.46Å; R117-A121 PolarHBondContact O-N 3.32Å; A121-M123 PolarHBondContact O-N 3.49Å; A121-N124 PolarHBondContact O-N 3.46Å; A121-H125 PolarHBondContact O-N 2.94Å; A121-H125 VanDerWaalsContact O-N 3.09Å
122G97.6Very high95.8Very high0 Ų029.6 Ų29.60%015%0.153CC..Hα-helixtrans-60.4-44173.500000112.3C118 V119 V120 H125 L126C118-G122 PolarHBondContact O-N 2.93Å; V119-G122 PolarHBondContact O-N 3.33Å; V120-G122 PolarHBondContact O-N 3.07Å; G122-H125 PolarHBondContact O-N 3.34Å; G122-L126 WeakPolarHBondContact O-CG 3.4Å; G122-L126 PolarHBondContact O-N 3.49Å
123M95.9Very high95.4Very high3 Ų329.6 Ų29.62%0.01515%0.153CC..Hα-helixtrans-67.2-40.8178.6-74.8-57.6-57.900113.4V119 V120 A121 H125 L126 R127 I136 L155 D203 I207 F295 F299V119-M123 HydrophobicContact CG1-CG 4.37Å; V119-M123 WeakPolarHBondContact O-CB 3.21Å; V119-M123 VanDerWaalsContact O-CG 3.26Å; V119-M123 WeakPolarHBondContact O-CG 3.49Å; V119-M123 PolarHBondContact O-N 3.42Å; V120-M123 PolarHBondContact O-N 3.38Å; A121-M123 PolarHBondContact O-N 3.49Å; M123-H125 VanDerWaalsContact C-N 3.3Å; M123-H125 PolarHBondContact O-N 3.29Å; M123-L126 PolarHBondContact O-N 2.83Å; M123-L126 HydrophobicContact SD-CD1 3.98Å; M123-R127 PolarHBondContact O-N 3.01Å; M123-I136 HydrophobicContact CE-CD1 3.66Å; M123-I136 HydrophobicContact CG-CD1 4.43Å; M123-I136 HydrophobicContact SD-CD1 3.22Å; M123-I136 WeakPolarHBondContact SD-CD1 3.44Å; M123-I136 HydrophobicContact SD-CG1 4.27Å; M123-L155 HydrophobicContact CG-CD1 4.26Å; M123-L155 HydrophobicContact SD-CD1 3.85Å; M123-D203 HydrophobicContact CE-CB 3.91Å; M123-I207 HydrophobicContact CE-CD1 3.88Å; M123-I207 HydrophobicContact CG-CD1 3.68Å; M123-I207 HydrophobicContact SD-CD1 4.03Å; M123-F295 HydrophobicContact CE-CE1 3.92Å; M123-F295 HydrophobicContact CE-CZ 4.34Å; M123-F299 HydrophobicContact CB-CE1 4.01Å; M123-F299 HydrophobicContact CB-CZ 4.11Å
124N95.6Very high95Very high55 Ų5528.3 Ų28.329%0.29415%0.146SC..Hα-helixtrans-60.4-44.1175.1-173.162000110.6V120 A121 L126 R127 E128 F299V120-N124 WeakPolarHBondContact O-CB 3.46Å; V120-N124 PolarHBondContact O-N 2.92Å; A121-N124 PolarHBondContact O-N 3.46Å; N124-L126 VanDerWaalsContact C-N 3.32Å; N124-L126 PolarHBondContact O-N 2.9Å; N124-R127 PolarHBondContact O-N 2.94Å; N124-R127 VanDerWaalsContact O-N 3.14Å; N124-E128 PolarHBondContact ND2-OE1 3.46Å; N124-E128 WeakPolarHBondContact O-CG 3.37Å; N124-E128 PolarHBondContact O-N 2.84Å; N124-F299 HydrophobicContact CB-CD1 4.4Å; N124-F299 HydrophobicContact CB-CE1 3.98Å; N124-F299 HydrophobicContact CB-CE2 4.32Å; N124-F299 HydrophobicContact CB-CZ 3.94Å
125H97.1Very high94.5Very high24 Ų2427.6 Ų27.611%0.11114%0.142CC..Hα-helixtrans-61.4-37175.4-174.380.6000112.9H64 A121 G122 M123 N129H64-H125 HydrophobicContact CB-CB 4.21Å; H64-H125 AromaticContact CD2-ND1 3.82Å; H64-H125 AromaticContact CG-CG 3.74Å; H64-H125 AromaticContact CG-ND1 3.87Å; A121-H125 PolarHBondContact O-N 2.94Å; A121-H125 VanDerWaalsContact O-N 3.09Å; G122-H125 PolarHBondContact O-N 3.34Å; M123-H125 VanDerWaalsContact C-N 3.3Å; M123-H125 PolarHBondContact O-N 3.29Å; H125-N129 PolarHBondContact NE2-ND2 3.01Å; H125-N129 PolarHBondContact O-N 2.95Å; H125-N129 PolarHBondContact O-ND2 3.02Å
126L94.8Very high94.3Very high0 Ų027.7 Ų27.70%014%0.142CC..Hα-helixtrans-63.9-44.5173.5-65.9-175.3000111.7L62 I67 G122 M123 N124 N129 G130 I131 H133 L155 F158L62-L126 HydrophobicContact CD1-CD2 3.49Å; L62-L126 VanDerWaalsContact CD1-CD2 3.49Å; L62-L126 HydrophobicContact CD2-CD2 3.75Å; L62-L126 HydrophobicContact CG-CD2 4.28Å; I67-L126 HydrophobicContact CD1-CD2 3.85Å; I67-L126 HydrophobicContact CD1-CG 4.13Å; G122-L126 WeakPolarHBondContact O-CG 3.4Å; G122-L126 PolarHBondContact O-N 3.49Å; M123-L126 PolarHBondContact O-N 2.83Å; M123-L126 HydrophobicContact SD-CD1 3.98Å; N124-L126 VanDerWaalsContact C-N 3.32Å; N124-L126 PolarHBondContact O-N 2.9Å; L126-N129 CarbonylContact O-C 3.59Å; L126-N129 PolarHBondContact O-N 3.49Å; L126-N129 VanDerWaalsContact O-N 3.15Å; L126-G130 PolarHBondContact O-N 3Å; L126-I131 CarbonylContact C-O 3.39Å; L126-I131 HydrophobicContact CB-CB 4.41Å; L126-I131 WeakPolarHBondContact CB-O 3.32Å; L126-I131 HydrophobicContact CD2-CB 4.45Å; L126-I131 HydrophobicContact CD2-CG2 4.1Å; L126-I131 PolarHBondContact O-N 3.38Å; L126-H133 HydrophobicContact CD1-CB 4.01Å; L126-L155 HydrophobicContact CD1-CD1 3.85Å; L126-L155 HydrophobicContact CG-CD1 4.48Å; L126-F158 HydrophobicContact CD1-CE1 4.09Å; L126-F158 HydrophobicContact CD2-CE1 3.67Å; L126-F158 HydrophobicContact CD2-CZ 4.27Å
127R91.3Very high94.2Very high59 Ų5929.2 Ų29.222%0.22315%0.149CC..Hα-helixtrans-64.4-43.3179.3-173.8-178.4179-152.70.3112.5M123 N124 N129 G130 D166 D296 F299M123-R127 PolarHBondContact O-N 3.01Å; N124-R127 PolarHBondContact O-N 2.94Å; N124-R127 VanDerWaalsContact O-N 3.14Å; R127-N129 PolarHBondContact O-N 2.61Å; R127-G130 PolarHBondContact O-N 3.25Å; R127-D166 IonicContact NH2-OD2 3.64Å; R127-D296 IonicContact CZ-OD1 2.97Å; R127-D296 IonicContact CZ-OD2 3.75Å; R127-D296 VanDerWaalsContact NH1-CG 3.32Å; R127-D296 IonicContact NH1-OD1 3.38Å; R127-D296 PolarHBondContact NH1-OD1 2.99Å; R127-D296 IonicContact NH1-OD2 3.83Å; R127-D296 VanDerWaalsContact NH2-CG 3.27Å; R127-D296 IonicContact NH2-OD1 2.71Å; R127-D296 PolarHBondContact NH2-OD1 3.43Å; R127-D296 VanDerWaalsContact NH2-OD1 3.15Å; R127-D296 IonicContact NH2-OD2 3.96Å; R127-D296 PolarHBondContact NH2-OD2 3.42Å; R127-F299 HydrophobicContact CB-CE2 4.46Å
128E93Very high94.1Very high132 Ų13223.3 Ų23.362%0.61713%0.127SC*.Hα-helixtrans-57.7-22.6175.6-73.8172.2178.400112.8N124N124-E128 PolarHBondContact ND2-OE1 3.46Å; N124-E128 WeakPolarHBondContact O-CG 3.37Å; N124-E128 PolarHBondContact O-N 2.84Å
129N93.1Very high93.9Very high59 Ų5923.8 Ų23.832%0.31613%0.133SC..THydrogen-bonded Turntrans-103.99.7177.1-71-88.8000113.5L62 H125 L126 R127 I131L62-N129 HydrophobicContact CD2-CB 4.2Å; H125-N129 PolarHBondContact NE2-ND2 3.01Å; H125-N129 PolarHBondContact O-N 2.95Å; H125-N129 PolarHBondContact O-ND2 3.02Å; L126-N129 CarbonylContact O-C 3.59Å; L126-N129 PolarHBondContact O-N 3.49Å; L126-N129 VanDerWaalsContact O-N 3.15Å; R127-N129 PolarHBondContact O-N 2.61Å; N129-I131 VanDerWaalsContact C-N 3.31Å; N129-I131 HydrophobicContact CB-CD1 3.83Å; N129-I131 HydrophobicContact CB-CG1 4.45Å; N129-I131 PolarHBondContact O-N 3.47Å
130G90.6Very high93.8Very high31 Ų3124.2 Ų24.232%0.3214%0.135SC..THydrogen-bonded Turntrans65.429.7179.300000114L126 R127 E163 L164L126-G130 PolarHBondContact O-N 3Å; R127-G130 PolarHBondContact O-N 3.25Å; G130-E163 VanDerWaalsContact O-CA 3.25Å; G130-E163 WeakPolarHBondContact O-CA 3.36Å; G130-L164 PolarHBondContact O-N 3.14Å
131I91.3Very high93.9Very high6 Ų623.8 Ų23.83%0.03113%0.133CC..EExtended strand (participates in β ladder)trans-110.5128.9-174.7-68.1156.6000110.7V58 L62 L126 N129 A161 E163V58-I131 HydrophobicContact CG1-CD1 4.04Å; V58-I131 HydrophobicContact CG1-CG1 4.45Å; V58-I131 HydrophobicContact CG1-CG2 3.95Å; L62-I131 HydrophobicContact CD1-CD1 4.26Å; L62-I131 HydrophobicContact CD2-CD1 3.59Å; L62-I131 HydrophobicContact CG-CD1 3.97Å; L126-I131 CarbonylContact C-O 3.39Å; L126-I131 HydrophobicContact CB-CB 4.41Å; L126-I131 WeakPolarHBondContact CB-O 3.32Å; L126-I131 HydrophobicContact CD2-CB 4.45Å; L126-I131 HydrophobicContact CD2-CG2 4.1Å; L126-I131 PolarHBondContact O-N 3.38Å; N129-I131 VanDerWaalsContact C-N 3.31Å; N129-I131 HydrophobicContact CB-CD1 3.83Å; N129-I131 HydrophobicContact CB-CG1 4.45Å; N129-I131 PolarHBondContact O-N 3.47Å; I131-A161 HydrophobicContact CG2-CB 4.29Å; I131-E163 HydrophobicContact CG1-CG 4.15Å
132V89.3Confident93.9Very high8 Ų824.2 Ų24.25%0.04813%0.13CC..EExtended strand (participates in β ladder)trans-107131.3170-172.50000109.1R134 A161 R162 L164 V200 V202 D203V132-R134 HydrophobicContact CB-CG 4.33Å; V132-R134 HydrophobicContact CG1-CG 3.65Å; V132-A161 CarbonylContact O-C 3.48Å; V132-A161 WeakPolarHBondContact O-CA 3.49Å; V132-R162 PolarHBondContact N-O 2.98Å; V132-R162 PolarHBondContact O-N 3.35Å; V132-L164 HydrophobicContact CB-CD1 4.19Å; V132-L164 HydrophobicContact CG2-CB 4.05Å; V132-L164 HydrophobicContact CG2-CD1 3.92Å; V132-L164 HydrophobicContact CG2-CG 4.44Å; V132-V200 HydrophobicContact CG2-CB 4.13Å; V132-V200 HydrophobicContact CG2-CG1 3.79Å; V132-V202 HydrophobicContact CG1-CG2 4.43Å; V132-D203 VanDerWaalsContact CG1-OD2 3.27Å; V132-D203 WeakPolarHBondContact CG1-OD2 3.21Å
133H91.7Very high93.8Very high0 Ų026.6 Ų26.60%014%0.139CC..  trans-82.1-45.3-172.9-171.1-50.9000112.9L126 D135 I136 T156 D157 F158 A160 A161 D203L126-H133 HydrophobicContact CD1-CB 4.01Å; H133-D135 VanDerWaalsContact C-N 3.26Å; H133-D135 PolarHBondContact ND1-N 3.44Å; H133-D135 PolarHBondContact O-N 3.39Å; H133-I136 HydrophobicContact CB-CD1 4.24Å; H133-I136 HydrophobicContact CB-CG1 3.88Å; H133-T156 PolarHBondContact CE1-O 3.29Å; H133-T156 PolarHBondContact NE2-O 3.47Å; H133-D157 PolarHBondContact CE1-O 3.35Å; H133-D157 VanDerWaalsContact CE1-O 3.27Å; H133-F158 AromaticContact CD2-CE1 3.67Å; H133-A160 CarbonylContact O-C 3.59Å; H133-A160 VanDerWaalsContact O-C 3.32Å; H133-A161 WeakPolarHBondContact O-CA 3.4Å; H133-A161 PolarHBondContact O-N 3.22Å; H133-D203 PolarHBondContact N-OD2 3.02Å
134R88.8Confident93.8Very high3 Ų327.9 Ų27.91%0.01115%0.145CC..SBendtrans65.68.6177.3-49.7-175.9-64.5177.3-0117.4V132 A160 A161 F170 S172 V202 D203V132-R134 HydrophobicContact CB-CG 4.33Å; V132-R134 HydrophobicContact CG1-CG 3.65Å; R134-A160 PolarHBondContact NE-O 3.32Å; R134-A160 PolarHBondContact NH2-O 2.88Å; R134-A161 PolarHBondContact NH2-O 3.49Å; R134-F170 HydrophobicContact CG-CZ 4.28Å; R134-S172 PolarHBondContact NH1-OG 3.23Å; R134-V202 HydrophobicContact CG-CG2 4.43Å; R134-D203 WeakPolarHBondContact CA-OD1 3.3Å; R134-D203 PolarHBondContact N-OD1 3.07Å; R134-D203 PolarHBondContact N-OD2 3.02Å
135D88.9Confident93.5Very high16 Ų1628.5 Ų28.59%0.08615%0.151CC..  trans-151.143.1175.3-167.735.4000111.1H133 K137 N140 A160 G175 T176H133-D135 VanDerWaalsContact C-N 3.26Å; H133-D135 PolarHBondContact ND1-N 3.44Å; H133-D135 PolarHBondContact O-N 3.39Å; D135-K137 PolarHBondContact O-N 3.36Å; D135-K137 IonicContact OD1-NZ 2.77Å; D135-K137 PolarHBondContact OD1-NZ 2.97Å; D135-K137 IonicContact OD2-NZ 3.75Å; D135-K137 PolarHBondContact OD2-NZ 2.9Å; D135-N140 PolarHBondContact O-ND2 3.06Å; D135-N140 PolarHBondContact OD2-ND2 3.47Å; D135-A160 HydrophobicContact CB-CB 4.02Å; D135-G175 VanDerWaalsContact OD1-CA 3.29Å; D135-G175 WeakPolarHBondContact OD1-CA 3.33Å; D135-T176 PolarHBondContact OD1-N 3.11Å; D135-T176 PolarHBondContact OD1-OG1 2.82Å
136I94.3Very high92.9Very high2 Ų228.5 Ų28.51%0.0116%0.158CC..  trans-71.8123.3175.2-58.8166.2000108.4M123 H133 I141 D203 S206 I207M123-I136 HydrophobicContact CE-CD1 3.66Å; M123-I136 HydrophobicContact CG-CD1 4.43Å; M123-I136 HydrophobicContact SD-CD1 3.22Å; M123-I136 WeakPolarHBondContact SD-CD1 3.44Å; M123-I136 HydrophobicContact SD-CG1 4.27Å; H133-I136 HydrophobicContact CB-CD1 4.24Å; H133-I136 HydrophobicContact CB-CG1 3.88Å; I136-I141 HydrophobicContact CG2-CD1 4.46Å; I136-D203 HydrophobicContact CD1-CB 3.73Å; I136-S206 WeakPolarHBondContact O-CB 3.34Å; I136-I207 HydrophobicContact CD1-CD1 3.87Å; I136-I207 HydrophobicContact CD1-CG1 3.78Å; I136-I207 HydrophobicContact CG2-CG1 3.98Å
137K94.6Very high92.1Very high34 Ų3438.5 Ų38.515%0.14820%0.204CC..SBendtrans-161.5162.2178.166.9-163.2-178-149.20109D135 G139 N140 I141 T176 Y179D135-K137 PolarHBondContact O-N 3.36Å; D135-K137 IonicContact OD1-NZ 2.77Å; D135-K137 PolarHBondContact OD1-NZ 2.97Å; D135-K137 IonicContact OD2-NZ 3.75Å; D135-K137 PolarHBondContact OD2-NZ 2.9Å; K137-G139 PolarHBondContact O-N 2.99Å; K137-N140 WeakPolarHBondContact CE-ND2 3.43Å; K137-N140 WeakPolarHBondContact CE-OD1 3.38Å; K137-N140 HydrophobicContact CG-CB 4.18Å; K137-N140 PolarHBondContact O-N 3.48Å; K137-I141 WeakPolarHBondContact O-CG1 3.42Å; K137-I141 PolarHBondContact O-N 3.28Å; K137-T176 HydrophobicContact CD-CG2 4.19Å; K137-T176 WeakPolarHBondContact CD-OG1 3.35Å; K137-T176 WeakPolarHBondContact CE-OG1 3.46Å; K137-T176 PolarHBondContact NZ-OG1 2.94Å; K137-Y179 HydrophobicContact CB-CD1 4.09Å; K137-Y179 HydrophobicContact CB-CD2 3.98Å; K137-Y179 HydrophobicContact CB-CE1 4.34Å; K137-Y179 HydrophobicContact CB-CE2 4.22Å; K137-Y179 HydrophobicContact CB-CG 3.92Å
138P96.8Very high91.8Very high0 Ų043.8 Ų43.80%023%0.232CC..G310 helixtrans-52.7-30.2177.2-28.635.5000114.7L94 L95 L98 N140 I141 Y179 T210L94-P138 HydrophobicContact CB-CB 4.21Å; L94-P138 WeakPolarHBondContact CB-O 3.43Å; L94-P138 HydrophobicContact CD2-CB 4.26Å; L94-P138 HydrophobicContact CG-CB 4.07Å; L94-P138 PolarHBondContact N-O 3.06Å; L95-P138 HydrophobicContact CB-CB 3.86Å; L95-P138 HydrophobicContact CD1-CB 4.4Å; L95-P138 PolarHBondContact N-O 3.36Å; L98-P138 HydrophobicContact CD1-CB 4.03Å; L98-P138 HydrophobicContact CD1-CG 4Å; P138-N140 VanDerWaalsContact C-N 3.31Å; P138-N140 PolarHBondContact O-N 2.88Å; P138-I141 PolarHBondContact O-N 2.85Å; P138-Y179 VanDerWaalsContact CD-CZ 3.48Å; P138-Y179 WeakPolarHBondContact CD-OH 3.4Å; P138-Y179 HydrophobicContact CG-CE1 4.02Å; P138-T210 HydrophobicContact CG-CG2 4.13Å
139G94.2Very high91.5Very high21 Ų2139.8 Ų39.822%0.21623%0.226CC..G310 helixtrans-68.7-25.6177.500000114.5K137K137-G139 PolarHBondContact O-N 2.99Å
140N96.3Very high91.3Very high14 Ų1443 Ų438%0.07524%0.239CC..G310 helixtrans-104.214.4-178.8-69.5-3.7000112.4D135 K137 P138 T156D135-N140 PolarHBondContact O-ND2 3.06Å; D135-N140 PolarHBondContact OD2-ND2 3.47Å; K137-N140 WeakPolarHBondContact CE-ND2 3.43Å; K137-N140 WeakPolarHBondContact CE-OD1 3.38Å; K137-N140 HydrophobicContact CG-CB 4.18Å; K137-N140 PolarHBondContact O-N 3.48Å; P138-N140 VanDerWaalsContact C-N 3.31Å; P138-N140 PolarHBondContact O-N 2.88Å; N140-T156 HydrophobicContact CB-CG2 4.47Å; N140-T156 WeakPolarHBondContact O-CG2 3.24Å; N140-T156 PolarHBondContact O-N 2.92Å
141I98.2Very high91.6Very high1 Ų141.9 Ų41.91%0.00523%0.227CC..EExtended strand (participates in β ladder)trans-114.399.3174.1-60.6166.2000106.5S93 L94 V119 I136 K137 P138 Y153 K154 L155 T210S93-I141 CarbonylContact C-O 3.59Å; S93-I141 VanDerWaalsContact CA-O 3.26Å; S93-I141 WeakPolarHBondContact CA-O 3.48Å; S93-I141 WeakPolarHBondContact CB-O 3.46Å; L94-I141 HydrophobicContact CB-CB 4Å; L94-I141 HydrophobicContact CB-CG2 4.12Å; L94-I141 HydrophobicContact CD2-CB 4.43Å; L94-I141 HydrophobicContact CD2-CD1 3.94Å; L94-I141 HydrophobicContact CD2-CG2 4.37Å; L94-I141 PolarHBondContact N-O 3.41Å; V119-I141 HydrophobicContact CG2-CD1 3.93Å; V119-I141 HydrophobicContact CG2-CG2 4.24Å; I136-I141 HydrophobicContact CG2-CD1 4.46Å; K137-I141 WeakPolarHBondContact O-CG1 3.42Å; K137-I141 PolarHBondContact O-N 3.28Å; P138-I141 PolarHBondContact O-N 2.85Å; I141-Y153 HydrophobicContact CG2-CD1 3.81Å; I141-Y153 HydrophobicContact CG2-CG 4.17Å; I141-K154 CarbonylContact C-O 3.54Å; I141-K154 WeakPolarHBondContact CA-O 3.4Å; I141-L155 HydrophobicContact CG1-CD2 3.91Å; I141-T210 HydrophobicContact CD1-CG2 3.67Å
142M97.9Very high91.8Very high41 Ų4143.5 Ų43.520%0.20224%0.235CC..EExtended strand (participates in β ladder)trans-77.2150.8-179.2-57.5-54.6-66.700110.9C89 Y153 K154 T156C89-M142 HydrophobicContact CB-CB 3.79Å; C89-M142 HydrophobicContact CB-CE 3.85Å; C89-M142 HydrophobicContact CB-CG 4.47Å; M142-Y153 CarbonylContact O-C 3.6Å; M142-Y153 WeakPolarHBondContact O-CA 3.47Å; M142-K154 HydrophobicContact CB-CB 4.49Å; M142-K154 PolarHBondContact N-O 3.32Å; M142-K154 PolarHBondContact O-N 3.08Å; M142-T156 HydrophobicContact CG-CG2 3.49Å; M142-T156 VanDerWaalsContact CG-CG2 3.49Å; M142-T156 HydrophobicContact SD-CG2 3.85Å
143R97.3Very high92.2Very high50 Ų5043.2 Ų43.219%0.18923%0.233CC..EExtended strand (participates in β ladder)trans-116.4132.4177.3-174.3175.3178.6-87.73.7110.6C89 S91 G92 E111 S151 Y153C89-R143 WeakPolarHBondContact CB-O 3.38Å; S91-R143 WeakPolarHBondContact CB-O 3.43Å; G92-R143 PolarHBondContact O-N 2.72Å; E111-R143 IonicContact OE1-CZ 2.73Å; E111-R143 IonicContact OE1-NE 2.76Å; E111-R143 PolarHBondContact OE1-NE 2.9Å; E111-R143 VanDerWaalsContact OE1-NE 3.08Å; E111-R143 IonicContact OE1-NH2 3.26Å; E111-R143 PolarHBondContact OE1-NH2 3.45Å; R143-S151 VanDerWaalsContact CZ-OG 3.23Å; R143-S151 PolarHBondContact NE-OG 3.4Å; R143-S151 PolarHBondContact NH2-OG 2.96Å; R143-Y153 HydrophobicContact CB-CD1 3.97Å; R143-Y153 HydrophobicContact CB-CE1 3.8Å; R143-Y153 HydrophobicContact CG-CD1 4.24Å; R143-Y153 HydrophobicContact CG-CE1 3.82Å
144L94.2Very high92.5Very high29 Ų2944 Ų4415%0.15224%0.236CC..EExtended strand (participates in β ladder)trans-113.8156162.2-73.3169.5000109.2E87 C89 S151 I152 K154E87-L144 VanDerWaalsContact OE1-CD1 3.26Å; E87-L144 WeakPolarHBondContact OE1-CD1 3.45Å; C89-L144 HydrophobicContact CB-CD2 4.04Å; C89-L144 HydrophobicContact CB-CG 4.19Å; L144-S151 CarbonylContact O-C 3.58Å; L144-S151 WeakPolarHBondContact O-CA 3.43Å; L144-I152 HydrophobicContact CB-CB 4.37Å; L144-I152 PolarHBondContact N-O 3.5Å; L144-I152 PolarHBondContact O-N 2.8Å; L144-K154 HydrophobicContact CD1-CD 3.95Å; L144-K154 VanDerWaalsContact CD1-CE 3.4Å
145V91Very high93Very high68 Ų6843.9 Ų43.941%0.41224%0.236SC..EExtended strand (participates in β ladder)trans-108.8117.2167.1178.10000105.8
146G83.4Confident93.3Very high25 Ų2544 Ų4426%0.25824%0.237SC..  trans-68.5173.3175.800000111.9E148 G149 Q150G146-E148 PolarHBondContact O-N 2.9Å; G146-G149 PolarHBondContact O-N 2.93Å; G146-Q150 PolarHBondContact N-O 3.5Å
147E78.9Confident93.1Very high209 Ų20946 Ų4698%0.97725%0.248SC*.THydrogen-bonded Turntrans-60.5-32.4-176.3-62.5-177.3171.700112.8G149E147-G149 PolarHBondContact O-N 3.41Å
148E83.3Confident92.9Very high170 Ų17044.4 Ų44.479%0.79424%0.241SC*.THydrogen-bonded Turntrans-83.57.7176.9-58.3-176.1174.900113.6G146 Q150G146-E148 PolarHBondContact O-N 2.9Å; E148-Q150 VanDerWaalsContact C-N 3.27Å; E148-Q150 PolarHBondContact O-N 3.4Å
149G87Confident92.3Very high49 Ų4945 Ų4551%0.50525%0.248SC..SBendtrans81.5-3.8-179.400000115.2G146 E147G146-G149 PolarHBondContact O-N 2.93Å; E147-G149 PolarHBondContact O-N 3.41Å
150Q89.5Confident91.8Very high126 Ų12644.4 Ų44.459%0.58924%0.241SC*.  trans-75.4143.8177.4-65.6-174.1300112.4G146 E148G146-Q150 PolarHBondContact N-O 3.5Å; E148-Q150 VanDerWaalsContact C-N 3.27Å; E148-Q150 PolarHBondContact O-N 3.4Å
151S95.9Very high91.2Very high8 Ų843.8 Ų43.86%0.05624%0.237CC..EExtended strand (participates in β ladder)trans-72.3139.9176.2-53.80000111.5E111 V114 R143 L144E111-S151 PolarHBondContact OE1-OG 3.34Å; E111-S151 WeakPolarHBondContact OE2-CB 3.39Å; E111-S151 PolarHBondContact OE2-OG 2.88Å; V114-S151 WeakPolarHBondContact CG1-O 3.31Å; R143-S151 VanDerWaalsContact CZ-OG 3.23Å; R143-S151 PolarHBondContact NE-OG 3.4Å; R143-S151 PolarHBondContact NH2-OG 2.96Å; L144-S151 CarbonylContact O-C 3.58Å; L144-S151 WeakPolarHBondContact O-CA 3.43Å
152I96.2Very high90.4Very high39 Ų3947.3 Ų47.320%0.225%0.25CS..EExtended strand (participates in β ladder)trans-122.9118.9168.3-57.5172.9000107.1Q65 L144Q65-I152 HydrophobicContact CG-CG2 4.06Å; L144-I152 HydrophobicContact CB-CB 4.37Å; L144-I152 PolarHBondContact N-O 3.5Å; L144-I152 PolarHBondContact O-N 2.8Å
153Y98.1Very high89.6Confident2 Ų249.3 Ų49.31%0.00826%0.259CS..EExtended strand (participates in β ladder)trans-98.4141.9178.5-64.8-86.2000112.2N66 L94 E111 V114 V115 C118 I141 M142 R143N66-Y153 WeakPolarHBondContact CA-O 3.34Å; N66-Y153 PolarHBondContact ND2-O 3.31Å; L94-Y153 HydrophobicContact CB-CD1 4.45Å; L94-Y153 HydrophobicContact CB-CE1 4.16Å; L94-Y153 HydrophobicContact CD1-CE1 3.92Å; E111-Y153 VanDerWaalsContact CD-OH 3.28Å; E111-Y153 PolarHBondContact OE1-OH 2.99Å; V114-Y153 HydrophobicContact CG1-CD2 4.01Å; V114-Y153 HydrophobicContact CG1-CE2 3.99Å; V115-Y153 HydrophobicContact CB-CD2 4.45Å; V115-Y153 HydrophobicContact CB-CE2 4.29Å; V115-Y153 HydrophobicContact CG2-CD2 3.82Å; V115-Y153 HydrophobicContact CG2-CE1 4.06Å; V115-Y153 HydrophobicContact CG2-CE2 3.29Å; V115-Y153 HydrophobicContact CG2-CG 4.39Å; C118-Y153 HydrophobicContact CB-CD2 4.39Å; C118-Y153 PolarHBondContact SG-N 3.27Å; I141-Y153 HydrophobicContact CG2-CD1 3.81Å; I141-Y153 HydrophobicContact CG2-CG 4.17Å; M142-Y153 CarbonylContact O-C 3.6Å; M142-Y153 WeakPolarHBondContact O-CA 3.47Å; R143-Y153 HydrophobicContact CB-CD1 3.97Å; R143-Y153 HydrophobicContact CB-CE1 3.8Å; R143-Y153 HydrophobicContact CG-CD1 4.24Å; R143-Y153 HydrophobicContact CG-CE1 3.82Å
154K98.4Very high88.5Confident16 Ų1647.2 Ų47.27%0.0725%0.252CS..EExtended strand (participates in β ladder)trans-134.7132.1-174.6-62.4-179.9172-107.70112Q65 N66 I68 E87 I141 M142 L144Q65-K154 WeakPolarHBondContact O-CE 3.31Å; Q65-K154 WeakPolarHBondContact O-CG 3.37Å; Q65-K154 PolarHBondContact O-NZ 3.28Å; N66-K154 CarbonylContact O-C 3.07Å; N66-K154 VanDerWaalsContact O-CA 3.3Å; N66-K154 WeakPolarHBondContact O-CA 3.48Å; I68-K154 HydrophobicContact CD1-CD 4.43Å; E87-K154 VanDerWaalsContact OE1-CE 3.29Å; E87-K154 WeakPolarHBondContact OE1-CE 3.45Å; E87-K154 IonicContact OE1-NZ 3.59Å; E87-K154 PolarHBondContact OE1-NZ 3.08Å; E87-K154 WeakPolarHBondContact OE2-CD 3.35Å; E87-K154 VanDerWaalsContact OE2-CE 3.3Å; E87-K154 WeakPolarHBondContact OE2-CE 3.46Å; E87-K154 IonicContact OE2-NZ 3.89Å; E87-K154 PolarHBondContact OE2-NZ 3.44Å; I141-K154 CarbonylContact C-O 3.54Å; I141-K154 WeakPolarHBondContact CA-O 3.4Å; M142-K154 HydrophobicContact CB-CB 4.49Å; M142-K154 PolarHBondContact N-O 3.32Å; M142-K154 PolarHBondContact O-N 3.08Å; L144-K154 HydrophobicContact CD1-CD 3.95Å; L144-K154 VanDerWaalsContact CD1-CE 3.4Å
155L98.2Very high87.3Confident2 Ų251.8 Ų51.81%0.0128%0.276CS..EExtended strand (participates in β ladder)trans-72.3140.1171.4-56.6179.5000110.6N66 I67 I68 M123 L126 I141 F158N66-L155 PolarHBondContact O-N 2.97Å; I67-L155 HydrophobicContact CD1-CB 3.97Å; I67-L155 HydrophobicContact CD1-CD1 4.08Å; I67-L155 HydrophobicContact CD1-CG 4.33Å; I68-L155 PolarHBondContact N-O 2.92Å; M123-L155 HydrophobicContact CG-CD1 4.26Å; M123-L155 HydrophobicContact SD-CD1 3.85Å; L126-L155 HydrophobicContact CD1-CD1 3.85Å; L126-L155 HydrophobicContact CG-CD1 4.48Å; I141-L155 HydrophobicContact CG1-CD2 3.91Å; L155-F158 HydrophobicContact CB-CZ 4.21Å
156T95.3Very high86Confident17 Ų1753.2 Ų53.210%0.10428%0.281CS..  trans-143.7175.1178.9-1670000111.4I68 H133 N140 M142I68-T156 WeakPolarHBondContact CG2-OG1 3.2Å; H133-T156 PolarHBondContact CE1-O 3.29Å; H133-T156 PolarHBondContact NE2-O 3.47Å; N140-T156 HydrophobicContact CB-CG2 4.47Å; N140-T156 WeakPolarHBondContact O-CG2 3.24Å; N140-T156 PolarHBondContact O-N 2.92Å; M142-T156 HydrophobicContact CG-CG2 3.49Å; M142-T156 VanDerWaalsContact CG-CG2 3.49Å; M142-T156 HydrophobicContact SD-CG2 3.85Å
157D90.6Very high85Confident46 Ų4659.5 Ų59.525%0.24631%0.309CS..  trans63.866.6178.2-161.812.9000114K38 H133 G159K38-D157 IonicContact NZ-OD1 3.78Å; K38-D157 PolarHBondContact NZ-OD1 3.44Å; H133-D157 PolarHBondContact CE1-O 3.35Å; H133-D157 VanDerWaalsContact CE1-O 3.27Å; D157-G159 PolarHBondContact O-N 3.25Å; D157-G159 VanDerWaalsContact O-N 3.16Å
158F90.3Very high84.3Confident0 Ų052.8 Ų52.80%028%0.278CS..G310 helixtrans-80.816.5177.8-62.2-89.7000112.9E55 V58 L59 L62 I67 I68 L126 H133 L155 A160 A161E55-F158 HydrophobicContact CG-CB 4.06Å; E55-F158 PolarHBondContact OE1-N 3.25Å; V58-F158 HydrophobicContact CG1-CB 4.03Å; V58-F158 HydrophobicContact CG1-CD1 3.86Å; V58-F158 HydrophobicContact CG1-CG 4.1Å; L59-F158 HydrophobicContact CD1-CD2 4.36Å; L59-F158 HydrophobicContact CD2-CD2 3.36Å; L59-F158 HydrophobicContact CD2-CE2 3.56Å; L59-F158 HydrophobicContact CD2-CG 4.24Å; L59-F158 HydrophobicContact CG-CB 4.47Å; L59-F158 HydrophobicContact CG-CD2 3.82Å; L59-F158 HydrophobicContact CG-CE2 4.49Å; L59-F158 HydrophobicContact CG-CG 4.36Å; L62-F158 HydrophobicContact CD1-CD1 4.2Å; L62-F158 HydrophobicContact CD1-CE1 3.79Å; L62-F158 HydrophobicContact CD1-CZ 3.97Å; I67-F158 HydrophobicContact CD1-CZ 4.18Å; I67-F158 HydrophobicContact CG2-CE2 3.97Å; I67-F158 HydrophobicContact CG2-CZ 3.79Å; I68-F158 HydrophobicContact CG2-CE2 4.21Å; L126-F158 HydrophobicContact CD1-CE1 4.09Å; L126-F158 HydrophobicContact CD2-CE1 3.67Å; L126-F158 HydrophobicContact CD2-CZ 4.27Å; H133-F158 AromaticContact CD2-CE1 3.67Å; L155-F158 HydrophobicContact CB-CZ 4.21Å; F158-A160 PolarHBondContact O-N 3.48Å; F158-A161 HydrophobicContact CB-CB 3.83Å; F158-A161 HydrophobicContact CD1-CB 3.94Å; F158-A161 HydrophobicContact CG-CB 4.4Å; F158-A161 VanDerWaalsContact O-CB 3.31Å; F158-A161 WeakPolarHBondContact O-CB 3.27Å; F158-A161 PolarHBondContact O-N 2.87Å
159G84.3Confident83.4Confident13 Ų1350.9 Ų50.913%0.13427%0.267CS..G310 helixtrans-61-25.4177.200000113.3D157D157-G159 PolarHBondContact O-N 3.25Å; D157-G159 VanDerWaalsContact O-N 3.16Å
160A82.6Confident82.3Confident8 Ų848.6 Ų48.67%0.06624%0.243CC..G310 helixtrans-97.4-3.5173.200000113.3H133 R134 D135 F158 Y174H133-A160 CarbonylContact O-C 3.59Å; H133-A160 VanDerWaalsContact O-C 3.32Å; R134-A160 PolarHBondContact NE-O 3.32Å; R134-A160 PolarHBondContact NH2-O 2.88Å; D135-A160 HydrophobicContact CB-CB 4.02Å; F158-A160 PolarHBondContact O-N 3.48Å; A160-Y174 HydrophobicContact CB-CG 3.96Å
161A84.6Confident80.8Confident0 Ų046.4 Ų46.40%024%0.238CC..  trans-67.8165.2-175.700000112.1R54 V58 I131 V132 H133 R134 F158R54-A161 WeakPolarHBondContact CD-O 3.49Å; V58-A161 HydrophobicContact CG1-CB 4.1Å; V58-A161 HydrophobicContact CG2-CB 4.29Å; I131-A161 HydrophobicContact CG2-CB 4.29Å; V132-A161 CarbonylContact O-C 3.48Å; V132-A161 WeakPolarHBondContact O-CA 3.49Å; H133-A161 WeakPolarHBondContact O-CA 3.4Å; H133-A161 PolarHBondContact O-N 3.22Å; R134-A161 PolarHBondContact NH2-O 3.49Å; F158-A161 HydrophobicContact CB-CB 3.83Å; F158-A161 HydrophobicContact CD1-CB 3.94Å; F158-A161 HydrophobicContact CG-CB 4.4Å; F158-A161 VanDerWaalsContact O-CB 3.31Å; F158-A161 WeakPolarHBondContact O-CB 3.27Å; F158-A161 PolarHBondContact O-N 2.87Å
162R81.8Confident79Confident75 Ų7547.7 Ų47.728%0.28325%0.247SC..EExtended strand (participates in β ladder)trans-157.4146.1172.5-174.1174.2168.3168.2-8.2110.4V132 L164 E168V132-R162 PolarHBondContact N-O 2.98Å; V132-R162 PolarHBondContact O-N 3.35Å; R162-L164 HydrophobicContact CB-CG 4.35Å; R162-L164 HydrophobicContact CG-CD2 4.15Å; R162-L164 HydrophobicContact CG-CG 4.02Å; R162-E168 IonicContact CZ-OE1 2.71Å; R162-E168 IonicContact NH2-OE1 2.9Å; R162-E168 PolarHBondContact NH2-OE1 2.88Å
163E79.9Confident77.3Confident84 Ų8448.1 Ų48.139%0.39325%0.251SS..EExtended strand (participates in β ladder)trans-77.7122.9166.6-68.1173.4-144.800108.9K61 G130 I131K61-E163 IonicContact NZ-OE1 3.65Å; K61-E163 PolarHBondContact NZ-OE1 3.46Å; K61-E163 IonicContact NZ-OE2 3.99Å; K61-E163 PolarHBondContact NZ-OE2 3.19Å; G130-E163 VanDerWaalsContact O-CA 3.25Å; G130-E163 WeakPolarHBondContact O-CA 3.36Å; I131-E163 HydrophobicContact CG1-CG 4.15Å
164L74.8Confident75.4Confident5 Ų551.3 Ų51.33%0.02626%0.264CS..  trans-142.9134.4-178.3-69.6172.3000108.3G130 V132 R162 E168 F170G130-L164 PolarHBondContact O-N 3.14Å; V132-L164 HydrophobicContact CB-CD1 4.19Å; V132-L164 HydrophobicContact CG2-CB 4.05Å; V132-L164 HydrophobicContact CG2-CD1 3.92Å; V132-L164 HydrophobicContact CG2-CG 4.44Å; R162-L164 HydrophobicContact CB-CG 4.35Å; R162-L164 HydrophobicContact CG-CD2 4.15Å; R162-L164 HydrophobicContact CG-CG 4.02Å; L164-E168 HydrophobicContact CB-CB 4.44Å; L164-E168 HydrophobicContact CD2-CB 4.04Å; L164-E168 HydrophobicContact CD2-CG 3.82Å; L164-F170 HydrophobicContact CD1-CD1 3.54Å; L164-F170 HydrophobicContact CD1-CE1 4.11Å; L164-F170 HydrophobicContact CD1-CG 4.34Å
165D69Low73.7Confident125 Ų12552.2 Ų52.267%0.66828%0.278SS*.  trans-70.7157.2163.6-64.6-34.2000109.7D167 E168D165-D167 PolarHBondContact O-N 3Å; D165-D167 VanDerWaalsContact O-N 3.07Å; D165-E168 HydrophobicContact CB-CB 4.33Å; D165-E168 WeakPolarHBondContact O-CB 3.36Å; D165-E168 PolarHBondContact O-N 3.1Å
166D63.1Low72.7Confident98 Ų9853.6 Ų53.652%0.52429%0.287SS..THydrogen-bonded Turntrans-56.6-30.5-173.8-79.7-16.7000113.4R127R127-D166 IonicContact NH2-OD2 3.64Å
167D63.9Low72.1Confident157 Ų15755.2 Ų55.284%0.8429%0.293SS*.THydrogen-bonded Turntrans-93.4-7.5178-67-40.5000114D165 K169D165-D167 PolarHBondContact O-N 3Å; D165-D167 VanDerWaalsContact O-N 3.07Å; D167-K169 PolarHBondContact O-N 3.45Å
168E64Low71.9Confident69 Ų6954.1 Ų54.132%0.32229%0.287SS..  trans-76.4125.9-175.7-164.9-172158.200110.9R162 L164 D165R162-E168 IonicContact CZ-OE1 2.71Å; R162-E168 IonicContact NH2-OE1 2.9Å; R162-E168 PolarHBondContact NH2-OE1 2.88Å; L164-E168 HydrophobicContact CB-CB 4.44Å; L164-E168 HydrophobicContact CD2-CB 4.04Å; L164-E168 HydrophobicContact CD2-CG 3.82Å; D165-E168 HydrophobicContact CB-CB 4.33Å; D165-E168 WeakPolarHBondContact O-CB 3.36Å; D165-E168 PolarHBondContact O-N 3.1Å
169K65.1Low71.9Confident129 Ų12955 Ų5556%0.56129%0.29SS*.  trans-100.7146.8177.7-50.5-173.4-178.8-177.60112.1D167 A197 F198D167-K169 PolarHBondContact O-N 3.45Å; K169-A197 HydrophobicContact CB-CB 3.29Å; K169-A197 HydrophobicContact CD-CB 3.65Å; K169-A197 HydrophobicContact CG-CB 4.09Å; K169-F198 VanDerWaalsContact CA-O 3.23Å; K169-F198 WeakPolarHBondContact CA-O 3.46Å
170F63.6Low72Confident2 Ų254.8 Ų54.81%0.00929%0.286CS..BIsolated β-bridgetrans-122.8165.1179.469.6-89.4000113.9R134 L164 S172 M184 F198 V202R134-F170 HydrophobicContact CG-CZ 4.28Å; L164-F170 HydrophobicContact CD1-CD1 3.54Å; L164-F170 HydrophobicContact CD1-CE1 4.11Å; L164-F170 HydrophobicContact CD1-CG 4.34Å; F170-S172 WeakPolarHBondContact CD2-O 3.48Å; F170-S172 WeakPolarHBondContact CE2-O 3.22Å; F170-M184 HydrophobicContact CE2-CE 4.43Å; F170-M184 HydrophobicContact CZ-SD 4.43Å; F170-F198 HydrophobicContact CD1-CB 3.93Å; F170-F198 VanDerWaalsContact CD1-O 3.22Å; F170-F198 WeakPolarHBondContact CD1-O 3.33Å; F170-F198 HydrophobicContact CD2-CB 4.1Å; F170-F198 AromaticContact CD2-CD2 3.81Å; F170-F198 HydrophobicContact CD2-CD2 3.81Å; F170-F198 HydrophobicContact CD2-CG 4.42Å; F170-F198 HydrophobicContact CE1-CB 3.47Å; F170-F198 VanDerWaalsContact CE1-CB 3.47Å; F170-F198 HydrophobicContact CE2-CB 3.66Å; F170-F198 AromaticContact CE2-CD2 3.56Å; F170-F198 HydrophobicContact CE2-CD2 3.56Å; F170-F198 AromaticContact CE2-CG 3.93Å; F170-F198 HydrophobicContact CE2-CG 3.93Å; F170-F198 HydrophobicContact CG-CB 4.22Å; F170-F198 HydrophobicContact CZ-CB 3.32Å; F170-F198 HydrophobicContact CZ-CD2 4.14Å; F170-F198 HydrophobicContact CZ-CG 4.01Å; F170-F198 PolarHBondContact N-O 3.04Å; F170-F198 VanDerWaalsContact O-CD2 3.23Å; F170-F198 WeakPolarHBondContact O-CD2 3.44Å; F170-F198 PolarHBondContact O-N 3.08Å; F170-V202 HydrophobicContact CE1-CG2 4.19Å; F170-V202 HydrophobicContact CZ-CG1 4.34Å; F170-V202 HydrophobicContact CZ-CG2 3.95Å
171V56.4Low72.2Confident80 Ų8054.7 Ų54.749%0.48528%0.284SS..  trans-124-21-171.31720000111.7R187V171-R187 PolarHBondContact O-NE 3.22Å; V171-R187 PolarHBondContact O-NH1 3.37Å; V171-R187 PolarHBondContact O-NH2 3.42Å
172S58.7Low72.1Confident34 Ų3454.7 Ų54.724%0.23828%0.284CS..  trans-73.5142.5-178.262.50000112.7R134 F170R134-S172 PolarHBondContact NH1-OG 3.23Å; F170-S172 WeakPolarHBondContact CD2-O 3.48Å; F170-S172 WeakPolarHBondContact CE2-O 3.22Å
173V60.2Low72.2Confident48 Ų4851.6 Ų51.629%0.29127%0.273SS..  trans-109.9125-175.5177.90000112R187 A188V173-R187 HydrophobicContact CG2-CB 4.28Å; V173-R187 HydrophobicContact CG2-CG 3.79Å; V173-A188 HydrophobicContact CB-CB 4.48Å; V173-A188 HydrophobicContact CG1-CB 3.13Å
174Y59.7Low72.2Confident69 Ų6947.7 Ų47.727%0.27126%0.255SS..  trans-145155.4171.4-59.2-80.8000108.7A160 L180 M184A160-Y174 HydrophobicContact CB-CG 3.96Å; Y174-L180 WeakPolarHBondContact O-CD2 3.34Å; Y174-M184 WeakPolarHBondContact O-CE 3.24Å
175G61.8Low72.5Confident36 Ų3647.6 Ų47.637%0.37125%0.254SS..SBendtrans136.3177.417100000114.2D135D135-G175 VanDerWaalsContact OD1-CA 3.29Å; D135-G175 WeakPolarHBondContact OD1-CA 3.33Å
176T76.4Confident73.1Confident31 Ų3142.5 Ų42.519%0.1923%0.226CC..  trans-105.2127.2-177.9-55.70000110.3D135 K137 E178 Y179 L180D135-T176 PolarHBondContact OD1-N 3.11Å; D135-T176 PolarHBondContact OD1-OG1 2.82Å; K137-T176 HydrophobicContact CD-CG2 4.19Å; K137-T176 WeakPolarHBondContact CD-OG1 3.35Å; K137-T176 WeakPolarHBondContact CE-OG1 3.46Å; K137-T176 PolarHBondContact NZ-OG1 2.94Å; T176-E178 VanDerWaalsContact CG2-OE2 3.23Å; T176-E178 WeakPolarHBondContact CG2-OE2 3.35Å; T176-E178 PolarHBondContact O-N 3.38Å; T176-Y179 HydrophobicContact CG2-CD2 4.14Å; T176-Y179 PolarHBondContact O-N 2.87Å; T176-L180 PolarHBondContact O-N 3Å
177E84Confident73.8Confident51 Ų5141.7 Ų41.724%0.23822%0.216CC..G310 helixtrans-44.3-42.2-166.3-63.5-171.3165.300113.4Y179 Y185 V189 K231E177-Y179 VanDerWaalsContact C-N 3.34Å; E177-Y179 PolarHBondContact O-N 3.28Å; E177-Y185 HydrophobicContact CB-CE2 4.08Å; E177-Y185 VanDerWaalsContact O-CD2 3.31Å; E177-Y185 WeakPolarHBondContact O-CD2 3.24Å; E177-Y185 VanDerWaalsContact O-CE2 3.28Å; E177-Y185 WeakPolarHBondContact O-CE2 3.36Å; E177-V189 HydrophobicContact CB-CG2 4.48Å; E177-V189 HydrophobicContact CG-CG2 3.9Å; E177-K231 IonicContact OE1-NZ 2.89Å; E177-K231 PolarHBondContact OE1-NZ 3.19Å; E177-K231 IonicContact OE2-NZ 4Å
178E86.5Confident74.3Confident23 Ų2335.9 Ų35.911%0.10719%0.189CC..G310 helixtrans-74.6-15.9-175.1-55.891.8156.600115.3T176 L219 P227 R228T176-E178 VanDerWaalsContact CG2-OE2 3.23Å; T176-E178 WeakPolarHBondContact CG2-OE2 3.35Å; T176-E178 PolarHBondContact O-N 3.38Å; E178-L219 HydrophobicContact CB-CD1 3.79Å; E178-L219 HydrophobicContact CB-CD2 4.24Å; E178-L219 HydrophobicContact CG-CD1 3.83Å; E178-P227 HydrophobicContact CG-CB 4.08Å; E178-P227 HydrophobicContact CG-CG 3.66Å; E178-R228 IonicContact OE1-CZ 3.89Å; E178-R228 IonicContact OE1-NE 2.85Å; E178-R228 PolarHBondContact OE1-NE 2.98Å; E178-R228 IonicContact OE1-NH2 2.85Å; E178-R228 PolarHBondContact OE1-NH2 3.44Å; E178-R228 IonicContact OE2-NH2 3.22Å
179Y89.6Confident75Confident17 Ų1733.6 Ų33.67%0.06718%0.18CC..G310 helixtrans-117.6-0.1-173.7-59.6-94.8000113K137 P138 T176 E177 S206 V209 H213 L219K137-Y179 HydrophobicContact CB-CD1 4.09Å; K137-Y179 HydrophobicContact CB-CD2 3.98Å; K137-Y179 HydrophobicContact CB-CE1 4.34Å; K137-Y179 HydrophobicContact CB-CE2 4.22Å; K137-Y179 HydrophobicContact CB-CG 3.92Å; P138-Y179 VanDerWaalsContact CD-CZ 3.48Å; P138-Y179 WeakPolarHBondContact CD-OH 3.4Å; P138-Y179 HydrophobicContact CG-CE1 4.02Å; T176-Y179 HydrophobicContact CG2-CD2 4.14Å; T176-Y179 PolarHBondContact O-N 2.87Å; E177-Y179 VanDerWaalsContact C-N 3.34Å; E177-Y179 PolarHBondContact O-N 3.28Å; Y179-S206 PolarHBondContact O-OG 3.33Å; Y179-V209 HydrophobicContact CD1-CB 3.93Å; Y179-V209 HydrophobicContact CD1-CG1 3.39Å; Y179-V209 HydrophobicContact CE1-CG1 3.72Å; Y179-V209 HydrophobicContact CG-CG1 4.12Å; Y179-H213 AromaticContact CZ-ND1 3.96Å; Y179-H213 PolarHBondContact OH-CE1 3.34Å; Y179-H213 PolarHBondContact OH-ND1 2.81Å; Y179-L219 HydrophobicContact CE1-CD2 4.13Å; Y179-L219 HydrophobicContact CE2-CD2 4.34Å
180L86.4Confident75.7Confident9 Ų928.9 Ų28.95%0.04716%0.161CC..SBendtrans-73.7140.9-178.1-79.7176000111.7Y174 T176 M184 Y185 A188 V189 W205Y174-L180 WeakPolarHBondContact O-CD2 3.34Å; T176-L180 PolarHBondContact O-N 3Å; L180-M184 HydrophobicContact CD2-CB 4.14Å; L180-M184 HydrophobicContact CD2-CE 3.78Å; L180-M184 HydrophobicContact CD2-SD 4.32Å; L180-Y185 HydrophobicContact CB-CD2 4.3Å; L180-A188 HydrophobicContact CD1-CB 4.05Å; L180-V189 HydrophobicContact CD1-CG2 4.37Å; L180-W205 PolarHBondContact O-NE1 2.99Å
181H86.7Confident76.3Confident6 Ų639.3 Ų39.33%0.02820%0.2CC..  trans-57.1144.7166.4-175.2-86000110.4D183 M184 Y185 V202 W205H181-D183 IonicContact CE1-OD2 2.88Å; H181-D183 PolarHBondContact CE1-OD2 3.42Å; H181-D183 PolarHBondContact ND1-N 3Å; H181-D183 IonicContact ND1-OD2 3.19Å; H181-D183 PolarHBondContact O-N 3.19Å; H181-M184 HydrophobicContact CB-CB 4.42Å; H181-M184 HydrophobicContact CB-CG 4.27Å; H181-M184 HydrophobicContact CB-SD 4.33Å; H181-M184 CarbonylContact O-C 3.44Å; H181-M184 WeakPolarHBondContact O-CA 3.4Å; H181-M184 WeakPolarHBondContact O-CB 3.49Å; H181-M184 PolarHBondContact O-N 3.32Å; H181-Y185 PolarHBondContact O-N 3.49Å; H181-V202 HydrophobicContact CB-CB 4.38Å; H181-V202 HydrophobicContact CB-CG1 4.18Å; H181-W205 HydrophobicContact CB-CB 4.3Å; H181-W205 HydrophobicContact CB-CG 4.22Å
182P83.8Confident77.2Confident0 Ų040.3 Ų40.30%020%0.198CC..Hα-helixtrans-59.5-41.8-172.7-26.938000113.9M184 Y185 E186 W205 T239 V287P182-M184 VanDerWaalsContact C-N 3.27Å; P182-M184 PolarHBondContact O-N 3.39Å; P182-Y185 WeakPolarHBondContact O-CB 3.36Å; P182-Y185 PolarHBondContact O-N 3.37Å; P182-Y185 VanDerWaalsContact O-N 3.14Å; P182-E186 PolarHBondContact O-N 2.85Å; P182-W205 HydrophobicContact CG-CH2 3.6Å; P182-W205 HydrophobicContact CG-CZ2 3.69Å; P182-W205 HydrophobicContact CG-CZ3 4.03Å; P182-T239 HydrophobicContact CB-CG2 3.66Å; P182-V287 HydrophobicContact CB-CG1 4.4Å; P182-V287 HydrophobicContact CG-CG1 4.33Å; P182-V287 HydrophobicContact CG-CG2 4.31Å
183D82.8Confident77.4Confident10 Ų1045.2 Ų45.25%0.05323%0.229CC..Hα-helixtrans-61.5-36.5174.9-63.3-23.2000111.6H181 F198H181-D183 IonicContact CE1-OD2 2.88Å; H181-D183 PolarHBondContact CE1-OD2 3.42Å; H181-D183 PolarHBondContact ND1-N 3Å; H181-D183 IonicContact ND1-OD2 3.19Å; H181-D183 PolarHBondContact O-N 3.19Å; D183-F198 HydrophobicContact CB-CD1 4.11Å; D183-F198 HydrophobicContact CB-CE1 3.64Å; D183-F198 WeakPolarHBondContact O-CE1 3.46Å
184M80.4Confident77.4Confident3 Ų345.6 Ų45.62%0.01523%0.228CC..Hα-helixtrans-71.1-39.2175.9-70.1-179.669.200110.6F170 Y174 L180 H181 P182 R187 A188 F198 V202F170-M184 HydrophobicContact CE2-CE 4.43Å; F170-M184 HydrophobicContact CZ-SD 4.43Å; Y174-M184 WeakPolarHBondContact O-CE 3.24Å; L180-M184 HydrophobicContact CD2-CB 4.14Å; L180-M184 HydrophobicContact CD2-CE 3.78Å; L180-M184 HydrophobicContact CD2-SD 4.32Å; H181-M184 HydrophobicContact CB-CB 4.42Å; H181-M184 HydrophobicContact CB-CG 4.27Å; H181-M184 HydrophobicContact CB-SD 4.33Å; H181-M184 CarbonylContact O-C 3.44Å; H181-M184 WeakPolarHBondContact O-CA 3.4Å; H181-M184 WeakPolarHBondContact O-CB 3.49Å; H181-M184 PolarHBondContact O-N 3.32Å; P182-M184 VanDerWaalsContact C-N 3.27Å; P182-M184 PolarHBondContact O-N 3.39Å; M184-R187 PolarHBondContact O-N 2.94Å; M184-A188 WeakPolarHBondContact O-CB 3.43Å; M184-A188 PolarHBondContact O-N 2.86Å; M184-F198 HydrophobicContact CB-CE1 4.21Å; M184-F198 HydrophobicContact CB-CZ 4.41Å; M184-F198 HydrophobicContact CG-CD1 3.57Å; M184-F198 HydrophobicContact CG-CD2 4.28Å; M184-F198 HydrophobicContact CG-CE1 3.58Å; M184-F198 HydrophobicContact CG-CE2 4.28Å; M184-F198 HydrophobicContact CG-CG 3.95Å; M184-F198 HydrophobicContact CG-CZ 3.94Å; M184-V202 HydrophobicContact CG-CG1 4.26Å; M184-V202 HydrophobicContact SD-CB 3.77Å; M184-V202 HydrophobicContact SD-CG1 3.64Å; M184-V202 HydrophobicContact SD-CG2 4.24Å
185Y80.4Confident77.1Confident3 Ų351.8 Ų51.81%0.01226%0.259CS..Hα-helixtrans-61.9-43.6179.5-168.2-81.9000112.1E177 L180 H181 P182 R187 A188 V189 L190 K231 M234 Y235E177-Y185 HydrophobicContact CB-CE2 4.08Å; E177-Y185 VanDerWaalsContact O-CD2 3.31Å; E177-Y185 WeakPolarHBondContact O-CD2 3.24Å; E177-Y185 VanDerWaalsContact O-CE2 3.28Å; E177-Y185 WeakPolarHBondContact O-CE2 3.36Å; L180-Y185 HydrophobicContact CB-CD2 4.3Å; H181-Y185 PolarHBondContact O-N 3.49Å; P182-Y185 WeakPolarHBondContact O-CB 3.36Å; P182-Y185 PolarHBondContact O-N 3.37Å; P182-Y185 VanDerWaalsContact O-N 3.14Å; Y185-R187 VanDerWaalsContact C-N 3.27Å; Y185-R187 PolarHBondContact O-N 3.44Å; Y185-A188 PolarHBondContact O-N 2.97Å; Y185-V189 HydrophobicContact CD1-CB 3.97Å; Y185-V189 HydrophobicContact CD1-CG2 4.3Å; Y185-V189 HydrophobicContact CD2-CB 4.31Å; Y185-V189 HydrophobicContact CD2-CG2 3.76Å; Y185-V189 HydrophobicContact CE1-CB 3.78Å; Y185-V189 HydrophobicContact CE1-CG1 3.82Å; Y185-V189 HydrophobicContact CE1-CG2 4.27Å; Y185-V189 HydrophobicContact CE2-CB 4.14Å; Y185-V189 HydrophobicContact CE2-CG1 4.2Å; Y185-V189 HydrophobicContact CE2-CG2 3.73Å; Y185-V189 HydrophobicContact CG-CB 4.23Å; Y185-V189 HydrophobicContact CG-CG2 4.05Å; Y185-V189 WeakPolarHBondContact O-CA 3.43Å; Y185-V189 WeakPolarHBondContact O-CB 2.96Å; Y185-V189 PolarHBondContact O-N 2.92Å; Y185-L190 HydrophobicContact CD1-CG 4.43Å; Y185-L190 HydrophobicContact CE1-CD2 4.36Å; Y185-L190 HydrophobicContact CE1-CG 4.36Å; Y185-L190 PolarHBondContact O-N 3.25Å; Y185-K231 WeakPolarHBondContact CE1-O 3.47Å; Y185-K231 WeakPolarHBondContact OH-CA 3.44Å; Y185-M234 HydrophobicContact CE1-CG 4.47Å; Y185-M234 HydrophobicContact CE2-CG 4.03Å; Y185-Y235 HydrophobicContact CD1-CD2 4.24Å
186E81.6Confident77.2Confident18 Ų1855.9 Ų55.98%0.08427%0.267CS..Hα-helixtrans-55.2-43.7176.9-176.4159-15300112.4P182 L190 R191 K192 Q194 Y235P182-E186 PolarHBondContact O-N 2.85Å; E186-L190 CarbonylContact O-C 3.55Å; E186-L190 WeakPolarHBondContact O-CB 3.48Å; E186-L190 PolarHBondContact O-N 3.4Å; E186-R191 PolarHBondContact O-N 3.14Å; E186-R191 VanDerWaalsContact O-N 3.15Å; E186-K192 HydrophobicContact CG-CB 3.81Å; E186-K192 HydrophobicContact CG-CD 4.01Å; E186-K192 HydrophobicContact CG-CG 4.39Å; E186-K192 PolarHBondContact O-N 3.24Å; E186-K192 VanDerWaalsContact OE1-CD 3.29Å; E186-K192 WeakPolarHBondContact OE1-CD 3.5Å; E186-Q194 PolarHBondContact OE2-NE2 3.04Å; E186-Q194 PolarHBondContact OE2-OE1 3.31Å; E186-Y235 HydrophobicContact CB-CD2 4.17Å; E186-Y235 HydrophobicContact CB-CE2 3.54Å; E186-Y235 HydrophobicContact CG-CE2 4.12Å; E186-Y235 PolarHBondContact OE1-OH 3.18Å; E186-Y235 PolarHBondContact OE2-OH 3.49Å
187R77.7Confident76.5Confident81 Ų8155.7 Ų55.731%0.30627%0.269SS..Hα-helixtrans-77.5-45179.6-172-179.4176.2147.95.6112.4V171 V173 M184 Y185 R191 F198V171-R187 PolarHBondContact O-NE 3.22Å; V171-R187 PolarHBondContact O-NH1 3.37Å; V171-R187 PolarHBondContact O-NH2 3.42Å; V173-R187 HydrophobicContact CG2-CB 4.28Å; V173-R187 HydrophobicContact CG2-CG 3.79Å; M184-R187 PolarHBondContact O-N 2.94Å; Y185-R187 VanDerWaalsContact C-N 3.27Å; Y185-R187 PolarHBondContact O-N 3.44Å; R187-R191 WeakPolarHBondContact O-CA 3.49Å; R187-R191 PolarHBondContact O-N 3.49Å; R187-F198 HydrophobicContact CB-CZ 4.46Å
188A74.6Confident75.8Confident34 Ų3453.5 Ų53.528%0.28126%0.258SS..Hα-helixtrans-70.5-46.5-173.900000113.3V173 L180 M184 Y185V173-A188 HydrophobicContact CB-CB 4.48Å; V173-A188 HydrophobicContact CG1-CB 3.13Å; L180-A188 HydrophobicContact CD1-CB 4.05Å; M184-A188 WeakPolarHBondContact O-CB 3.43Å; M184-A188 PolarHBondContact O-N 2.86Å; Y185-A188 PolarHBondContact O-N 2.97Å
189V78.4Confident75Confident21 Ų2153 Ų5313%0.12726%0.259CS..THydrogen-bonded Turntrans-104.6-47.2-165.4-1760000110.1E177 L180 Y185 R191 K231E177-V189 HydrophobicContact CB-CG2 4.48Å; E177-V189 HydrophobicContact CG-CG2 3.9Å; L180-V189 HydrophobicContact CD1-CG2 4.37Å; Y185-V189 HydrophobicContact CD1-CB 3.97Å; Y185-V189 HydrophobicContact CD1-CG2 4.3Å; Y185-V189 HydrophobicContact CD2-CB 4.31Å; Y185-V189 HydrophobicContact CD2-CG2 3.76Å; Y185-V189 HydrophobicContact CE1-CB 3.78Å; Y185-V189 HydrophobicContact CE1-CG1 3.82Å; Y185-V189 HydrophobicContact CE1-CG2 4.27Å; Y185-V189 HydrophobicContact CE2-CB 4.14Å; Y185-V189 HydrophobicContact CE2-CG1 4.2Å; Y185-V189 HydrophobicContact CE2-CG2 3.73Å; Y185-V189 HydrophobicContact CG-CB 4.23Å; Y185-V189 HydrophobicContact CG-CG2 4.05Å; Y185-V189 WeakPolarHBondContact O-CA 3.43Å; Y185-V189 WeakPolarHBondContact O-CB 2.96Å; Y185-V189 PolarHBondContact O-N 2.92Å; V189-R191 VanDerWaalsContact C-N 3.34Å; V189-K231 HydrophobicContact CG1-CB 4.25Å; V189-K231 HydrophobicContact CG1-CD 3.56Å; V189-K231 HydrophobicContact CG1-CG 3.98Å
190L79.4Confident74.4Confident30 Ų3053 Ų5316%0.15726%0.261CS..SBendtrans-83.8-10.1178.8-52.6-177.2000113.3Y185 E186 K192 K231 Y235Y185-L190 HydrophobicContact CD1-CG 4.43Å; Y185-L190 HydrophobicContact CE1-CD2 4.36Å; Y185-L190 HydrophobicContact CE1-CG 4.36Å; Y185-L190 PolarHBondContact O-N 3.25Å; E186-L190 CarbonylContact O-C 3.55Å; E186-L190 WeakPolarHBondContact O-CB 3.48Å; E186-L190 PolarHBondContact O-N 3.4Å; L190-K192 HydrophobicContact CB-CD 4.39Å; L190-K192 HydrophobicContact CB-CG 4.14Å; L190-K192 PolarHBondContact O-N 2.88Å; L190-K231 HydrophobicContact CD2-CB 3.99Å; L190-Y235 HydrophobicContact CD1-CD1 3.81Å; L190-Y235 HydrophobicContact CD1-CD2 4.12Å; L190-Y235 HydrophobicContact CD1-CE1 4.45Å; L190-Y235 HydrophobicContact CD1-CG 3.6Å
191R77.4Confident74.2Confident221 Ų22153.8 Ų53.883%0.83427%0.266SS*.  trans54.231.4-179.8-58.7-177.2175.4-178.8-1.2113.6E186 R187 V189E186-R191 PolarHBondContact O-N 3.14Å; E186-R191 VanDerWaalsContact O-N 3.15Å; R187-R191 WeakPolarHBondContact O-CA 3.49Å; R187-R191 PolarHBondContact O-N 3.49Å; V189-R191 VanDerWaalsContact C-N 3.34Å
192K75.6Confident74.1Confident101 Ų10153.6 Ų53.644%0.43927%0.266SS..  trans-82.9141.4177.9-69.5-178.1179178.10111.1E186 L190 Q194E186-K192 HydrophobicContact CG-CB 3.81Å; E186-K192 HydrophobicContact CG-CD 4.01Å; E186-K192 HydrophobicContact CG-CG 4.39Å; E186-K192 PolarHBondContact O-N 3.24Å; E186-K192 VanDerWaalsContact OE1-CD 3.29Å; E186-K192 WeakPolarHBondContact OE1-CD 3.5Å; L190-K192 HydrophobicContact CB-CD 4.39Å; L190-K192 HydrophobicContact CB-CG 4.14Å; L190-K192 PolarHBondContact O-N 2.88Å; K192-Q194 PolarHBondContact O-N 3.15Å
193P61.1Low74.4Confident137 Ų13753.7 Ų53.789%0.8927%0.266SS*.  trans-78.588.7178.530.6-32000109.8
194Q60.6Low74.9Confident57 Ų5753.2 Ų53.227%0.26626%0.263SS..  trans-105.7139.3172.3-151.2178.143.100111.1E186 K192E186-Q194 PolarHBondContact OE2-NE2 3.04Å; E186-Q194 PolarHBondContact OE2-OE1 3.31Å; K192-Q194 PolarHBondContact O-N 3.15Å
195Q53.6Low75.6Confident198 Ų19853.2 Ų53.293%0.92526%0.263SS*.  trans-93.42.6-175.4-67.9-176-10.700114.3A197Q195-A197 PolarHBondContact O-N 3.28Å
196K63.3Low76.2Confident122 Ų12253.4 Ų53.453%0.5327%0.265SS..PPolyproline II helixtrans-73.9127.1178.1-74.7-174.9179.5178.80109.7
197A62.7Low76.9Confident28 Ų2852.5 Ų52.523%0.23126%0.261CS..PPolyproline II helixtrans-89.7140.4175.600000109.5K169 Q195K169-A197 HydrophobicContact CB-CB 3.29Å; K169-A197 HydrophobicContact CD-CB 3.65Å; K169-A197 HydrophobicContact CG-CB 4.09Å; Q195-A197 PolarHBondContact O-N 3.28Å
198F68.4Low77.9Confident4 Ų448.7 Ų48.72%0.01825%0.246CC..BIsolated β-bridgetrans-86.1135.6-172.1-52.5-65.9000110.4K169 F170 D183 M184 R187 V202K169-F198 VanDerWaalsContact CA-O 3.23Å; K169-F198 WeakPolarHBondContact CA-O 3.46Å; F170-F198 HydrophobicContact CD1-CB 3.93Å; F170-F198 VanDerWaalsContact CD1-O 3.22Å; F170-F198 WeakPolarHBondContact CD1-O 3.33Å; F170-F198 HydrophobicContact CD2-CB 4.1Å; F170-F198 AromaticContact CD2-CD2 3.81Å; F170-F198 HydrophobicContact CD2-CD2 3.81Å; F170-F198 HydrophobicContact CD2-CG 4.42Å; F170-F198 HydrophobicContact CE1-CB 3.47Å; F170-F198 VanDerWaalsContact CE1-CB 3.47Å; F170-F198 HydrophobicContact CE2-CB 3.66Å; F170-F198 AromaticContact CE2-CD2 3.56Å; F170-F198 HydrophobicContact CE2-CD2 3.56Å; F170-F198 AromaticContact CE2-CG 3.93Å; F170-F198 HydrophobicContact CE2-CG 3.93Å; F170-F198 HydrophobicContact CG-CB 4.22Å; F170-F198 HydrophobicContact CZ-CB 3.32Å; F170-F198 HydrophobicContact CZ-CD2 4.14Å; F170-F198 HydrophobicContact CZ-CG 4.01Å; F170-F198 PolarHBondContact N-O 3.04Å; F170-F198 VanDerWaalsContact O-CD2 3.23Å; F170-F198 WeakPolarHBondContact O-CD2 3.44Å; F170-F198 PolarHBondContact O-N 3.08Å; D183-F198 HydrophobicContact CB-CD1 4.11Å; D183-F198 HydrophobicContact CB-CE1 3.64Å; D183-F198 WeakPolarHBondContact O-CE1 3.46Å; M184-F198 HydrophobicContact CB-CE1 4.21Å; M184-F198 HydrophobicContact CB-CZ 4.41Å; M184-F198 HydrophobicContact CG-CD1 3.57Å; M184-F198 HydrophobicContact CG-CD2 4.28Å; M184-F198 HydrophobicContact CG-CE1 3.58Å; M184-F198 HydrophobicContact CG-CE2 4.28Å; M184-F198 HydrophobicContact CG-CG 3.95Å; M184-F198 HydrophobicContact CG-CZ 3.94Å; R187-F198 HydrophobicContact CB-CZ 4.46Å; F198-V202 HydrophobicContact CB-CG1 4.07Å
199G70.3Confident79Confident13 Ų1347 Ų4713%0.13423%0.233CC..  trans-95.2-178.8173.800000112.7T201 V202G199-T201 PolarHBondContact O-N 3.46Å; G199-V202 PolarHBondContact O-N 3.38Å
200V76.5Confident80Confident16 Ų1646.1 Ų46.110%0.09723%0.227CC..THydrogen-bonded Turntrans-63-20.5179.4-580000113.5V132 V202 D203 F295V132-V200 HydrophobicContact CG2-CB 4.13Å; V132-V200 HydrophobicContact CG2-CG1 3.79Å; V200-V202 PolarHBondContact O-N 3.07Å; V200-V202 VanDerWaalsContact O-N 3.13Å; V200-D203 PolarHBondContact O-N 3.02Å; V200-F295 HydrophobicContact CB-CE2 3.88Å; V200-F295 HydrophobicContact CG2-CD2 4.04Å; V200-F295 HydrophobicContact CG2-CE2 3.76Å; V200-F295 WeakPolarHBondContact O-CE2 3.34Å
201T83.1Confident80.9Confident27 Ų2744.8 Ų44.817%0.16622%0.22CC..THydrogen-bonded Turntrans-67.7-9-178.256.60000114.8G199 D203 L204 W205G199-T201 PolarHBondContact O-N 3.46Å; T201-D203 PolarHBondContact O-N 3.48Å; T201-L204 HydrophobicContact CG2-CD1 4.32Å; T201-L204 WeakPolarHBondContact O-CB 3.35Å; T201-L204 PolarHBondContact O-N 3.02Å; T201-W205 PolarHBondContact O-N 3.35Å
202V84.4Confident81.9Confident2 Ų235 Ų351%0.01218%0.184CC..Hα-helixtrans-58.9-33175-64.50000112.7V132 R134 F170 H181 M184 F198 G199 V200 L204 W205 S206V132-V202 HydrophobicContact CG1-CG2 4.43Å; R134-V202 HydrophobicContact CG-CG2 4.43Å; F170-V202 HydrophobicContact CE1-CG2 4.19Å; F170-V202 HydrophobicContact CZ-CG1 4.34Å; F170-V202 HydrophobicContact CZ-CG2 3.95Å; H181-V202 HydrophobicContact CB-CB 4.38Å; H181-V202 HydrophobicContact CB-CG1 4.18Å; M184-V202 HydrophobicContact CG-CG1 4.26Å; M184-V202 HydrophobicContact SD-CB 3.77Å; M184-V202 HydrophobicContact SD-CG1 3.64Å; M184-V202 HydrophobicContact SD-CG2 4.24Å; F198-V202 HydrophobicContact CB-CG1 4.07Å; G199-V202 PolarHBondContact O-N 3.38Å; V200-V202 PolarHBondContact O-N 3.07Å; V200-V202 VanDerWaalsContact O-N 3.13Å; V202-L204 VanDerWaalsContact C-N 3.32Å; V202-W205 PolarHBondContact O-N 3.48Å; V202-S206 PolarHBondContact O-N 3.44Å; V202-S206 PolarHBondContact O-OG 2.88Å
203D89.1Confident83Confident1 Ų131.2 Ų31.21%0.00517%0.167CC..Hα-helixtrans-70.1-31.7178.1-84.5-4.8000111.1M123 V132 H133 R134 I136 V200 T201 W205 S206 I207 F295M123-D203 HydrophobicContact CE-CB 3.91Å; V132-D203 VanDerWaalsContact CG1-OD2 3.27Å; V132-D203 WeakPolarHBondContact CG1-OD2 3.21Å; H133-D203 PolarHBondContact N-OD2 3.02Å; R134-D203 WeakPolarHBondContact CA-OD1 3.3Å; R134-D203 PolarHBondContact N-OD1 3.07Å; R134-D203 PolarHBondContact N-OD2 3.02Å; I136-D203 HydrophobicContact CD1-CB 3.73Å; V200-D203 PolarHBondContact O-N 3.02Å; T201-D203 PolarHBondContact O-N 3.48Å; D203-W205 VanDerWaalsContact C-N 3.33Å; D203-W205 PolarHBondContact O-N 3.44Å; D203-S206 PolarHBondContact O-N 2.95Å; D203-I207 WeakPolarHBondContact O-CB 3.49Å; D203-I207 WeakPolarHBondContact O-CD1 3.45Å; D203-I207 WeakPolarHBondContact O-CG1 3.33Å; D203-I207 PolarHBondContact O-N 3.07Å; D203-F295 HydrophobicContact CB-CZ 4.2Å
204L94.1Very high84.8Confident0 Ų024.7 Ų24.70%013%0.125CC..Hα-helixtrans-64-38.3175.6-65177.9000111.7T201 V202 I207 G208 I284 W293 F295 F298T201-L204 HydrophobicContact CG2-CD1 4.32Å; T201-L204 WeakPolarHBondContact O-CB 3.35Å; T201-L204 PolarHBondContact O-N 3.02Å; V202-L204 VanDerWaalsContact C-N 3.32Å; L204-I207 PolarHBondContact O-N 3.11Å; L204-G208 PolarHBondContact O-N 2.85Å; L204-I284 HydrophobicContact CB-CB 4.19Å; L204-I284 HydrophobicContact CB-CG2 4.42Å; L204-W293 WeakPolarHBondContact CD1-O 3.33Å; L204-F295 HydrophobicContact CD2-CD1 3.7Å; L204-F295 HydrophobicContact CD2-CE1 3.55Å; L204-F295 HydrophobicContact CD2-CG 4.41Å; L204-F295 HydrophobicContact CD2-CZ 4.15Å; L204-F295 HydrophobicContact CG-CD1 4.26Å; L204-F295 HydrophobicContact CG-CE1 3.92Å; L204-F295 HydrophobicContact CG-CE2 4.37Å; L204-F295 HydrophobicContact CG-CZ 3.98Å; L204-F298 HydrophobicContact CD2-CB 4.01Å; L204-F298 HydrophobicContact CD2-CD1 3.75Å; L204-F298 HydrophobicContact CD2-CD2 4.26Å; L204-F298 HydrophobicContact CD2-CE1 4.3Å; L204-F298 HydrophobicContact CD2-CG 3.72Å
205W94.7Very high86.6Confident3 Ų322 Ų221%0.01111%0.112CC..Hα-helixtrans-63-50.5173.1178.5-82.3000111.6L180 H181 P182 T201 V202 D203 I207 G208 V209 F221 T238 L285 V287L180-W205 PolarHBondContact O-NE1 2.99Å; H181-W205 HydrophobicContact CB-CB 4.3Å; H181-W205 HydrophobicContact CB-CG 4.22Å; P182-W205 HydrophobicContact CG-CH2 3.6Å; P182-W205 HydrophobicContact CG-CZ2 3.69Å; P182-W205 HydrophobicContact CG-CZ3 4.03Å; T201-W205 PolarHBondContact O-N 3.35Å; V202-W205 PolarHBondContact O-N 3.48Å; D203-W205 VanDerWaalsContact C-N 3.33Å; D203-W205 PolarHBondContact O-N 3.44Å; W205-I207 VanDerWaalsContact C-N 3.26Å; W205-I207 PolarHBondContact O-N 3.35Å; W205-G208 PolarHBondContact O-N 2.9Å; W205-V209 WeakPolarHBondContact O-CG2 3.42Å; W205-V209 PolarHBondContact O-N 3.33Å; W205-F221 AromaticContact CH2-CE2 3.82Å; W205-F221 HydrophobicContact CH2-CE2 3.82Å; W205-F221 HydrophobicContact CH2-CZ 4.14Å; W205-F221 HydrophobicContact CZ2-CD2 4.12Å; W205-F221 AromaticContact CZ2-CE2 3.57Å; W205-F221 HydrophobicContact CZ2-CE2 3.57Å; W205-F221 HydrophobicContact CZ2-CZ 4.34Å; W205-T238 HydrophobicContact CZ2-CG2 4.06Å; W205-L285 HydrophobicContact CD2-CD2 4.06Å; W205-L285 HydrophobicContact CE3-CB 4.49Å; W205-L285 HydrophobicContact CE3-CD2 4.17Å; W205-L285 HydrophobicContact CG-CD2 4.47Å; W205-L285 HydrophobicContact CZ3-CB 4.35Å; W205-V287 HydrophobicContact CH2-CG2 4.3Å; W205-V287 HydrophobicContact CZ3-CG2 4.02Å
206S94.5Very high88.7Confident7 Ų712.7 Ų12.75%0.0497%0.069CC..Hα-helixtrans-61-36.2179.5-64.50000112.4I136 Y179 V202 D203 T210I136-S206 WeakPolarHBondContact O-CB 3.34Å; Y179-S206 PolarHBondContact O-OG 3.33Å; V202-S206 PolarHBondContact O-N 3.44Å; V202-S206 PolarHBondContact O-OG 2.88Å; D203-S206 PolarHBondContact O-N 2.95Å; S206-T210 VanDerWaalsContact O-CB 3.3Å; S206-T210 WeakPolarHBondContact O-CB 3.43Å; S206-T210 PolarHBondContact O-N 2.86Å; S206-T210 PolarHBondContact O-OG1 2.92Å
207I96.3Very high90.2Very high0 Ų07.6 Ų7.60%05%0.051CC..Hα-helixtrans-65.4-46.2171-69.4161.2000110.8M123 I136 D203 L204 W205 V209 T210 L211 F298M123-I207 HydrophobicContact CE-CD1 3.88Å; M123-I207 HydrophobicContact CG-CD1 3.68Å; M123-I207 HydrophobicContact SD-CD1 4.03Å; I136-I207 HydrophobicContact CD1-CD1 3.87Å; I136-I207 HydrophobicContact CD1-CG1 3.78Å; I136-I207 HydrophobicContact CG2-CG1 3.98Å; D203-I207 WeakPolarHBondContact O-CB 3.49Å; D203-I207 WeakPolarHBondContact O-CD1 3.45Å; D203-I207 WeakPolarHBondContact O-CG1 3.33Å; D203-I207 PolarHBondContact O-N 3.07Å; L204-I207 PolarHBondContact O-N 3.11Å; W205-I207 VanDerWaalsContact C-N 3.26Å; W205-I207 PolarHBondContact O-N 3.35Å; I207-V209 VanDerWaalsContact C-N 3.33Å; I207-V209 PolarHBondContact O-N 2.8Å; I207-T210 CarbonylContact O-C 3.49Å; I207-T210 WeakPolarHBondContact O-CA 3.41Å; I207-T210 WeakPolarHBondContact O-CB 3.31Å; I207-T210 PolarHBondContact O-N 3.45Å; I207-L211 HydrophobicContact CG2-CD1 3.77Å; I207-L211 HydrophobicContact CG2-CG 4Å; I207-L211 WeakPolarHBondContact O-CB 3.42Å; I207-L211 WeakPolarHBondContact O-CG 3.37Å; I207-L211 PolarHBondContact O-N 3.05Å; I207-F298 HydrophobicContact CG2-CE2 4.28Å; I207-F298 HydrophobicContact CG2-CZ 3.86Å
208G97.6Very high91.7Very high0 Ų09 Ų90%06%0.06CC..Hα-helixtrans-56.9-45.5177.300000112.6L204 W205 T210 L211 Y212 L281L204-G208 PolarHBondContact O-N 2.85Å; W205-G208 PolarHBondContact O-N 2.9Å; G208-T210 VanDerWaalsContact C-N 3.32Å; G208-T210 PolarHBondContact O-N 2.9Å; G208-L211 PolarHBondContact O-N 3.32Å; G208-Y212 WeakPolarHBondContact O-CB 3.39Å; G208-Y212 PolarHBondContact O-N 3.4Å; G208-L281 WeakPolarHBondContact O-CD2 3.39Å
209V98.1Very high93Very high0 Ų010.5 Ų10.50%07%0.067CC..Hα-helixtrans-63.3-41.3175.1178.10000110.8Y179 W205 I207 H213 L219 P220 L285Y179-V209 HydrophobicContact CD1-CB 3.93Å; Y179-V209 HydrophobicContact CD1-CG1 3.39Å; Y179-V209 HydrophobicContact CE1-CG1 3.72Å; Y179-V209 HydrophobicContact CG-CG1 4.12Å; W205-V209 WeakPolarHBondContact O-CG2 3.42Å; W205-V209 PolarHBondContact O-N 3.33Å; I207-V209 VanDerWaalsContact C-N 3.33Å; I207-V209 PolarHBondContact O-N 2.8Å; V209-H213 WeakPolarHBondContact O-CB 3.45Å; V209-H213 PolarHBondContact O-N 3.43Å; V209-L219 HydrophobicContact CG1-CD2 4.1Å; V209-P220 HydrophobicContact CB-CG 4.29Å; V209-P220 HydrophobicContact CG1-CG 3.96Å; V209-P220 HydrophobicContact CG2-CG 4.09Å; V209-L285 HydrophobicContact CG2-CD2 3.85Å
210T98.3Very high94.3Very high1 Ų110 Ų101%0.0066%0.062CC..Hα-helixtrans-64.6-45.6178.5-64.50000112.3L94 P138 I141 S206 I207 G208 H213 A214L94-T210 HydrophobicContact CD2-CG2 4.25Å; P138-T210 HydrophobicContact CG-CG2 4.13Å; I141-T210 HydrophobicContact CD1-CG2 3.67Å; S206-T210 VanDerWaalsContact O-CB 3.3Å; S206-T210 WeakPolarHBondContact O-CB 3.43Å; S206-T210 PolarHBondContact O-N 2.86Å; S206-T210 PolarHBondContact O-OG1 2.92Å; I207-T210 CarbonylContact O-C 3.49Å; I207-T210 WeakPolarHBondContact O-CA 3.41Å; I207-T210 WeakPolarHBondContact O-CB 3.31Å; I207-T210 PolarHBondContact O-N 3.45Å; G208-T210 VanDerWaalsContact C-N 3.32Å; G208-T210 PolarHBondContact O-N 2.9Å; T210-H213 PolarHBondContact O-N 3.42Å; T210-A214 WeakPolarHBondContact O-CB 3.26Å; T210-A214 PolarHBondContact O-N 3.11Å
211L98.6Very high95.2Very high2 Ų29.5 Ų9.51%0.016%0.058CC..Hα-helixtrans-66.7-41.3178-68.6179.2000111.1F112 L116 I207 G208 H213 A214 A215 L281F112-L211 HydrophobicContact CE2-CD2 4.5Å; F112-L211 WeakPolarHBondContact CE2-O 3.49Å; F112-L211 HydrophobicContact CZ-CD2 4.34Å; L116-L211 HydrophobicContact CD1-CD1 4.02Å; L116-L211 HydrophobicContact CD1-CD2 4.06Å; I207-L211 HydrophobicContact CG2-CD1 3.77Å; I207-L211 HydrophobicContact CG2-CG 4Å; I207-L211 WeakPolarHBondContact O-CB 3.42Å; I207-L211 WeakPolarHBondContact O-CG 3.37Å; I207-L211 PolarHBondContact O-N 3.05Å; G208-L211 PolarHBondContact O-N 3.32Å; L211-H213 VanDerWaalsContact C-N 3.34Å; L211-H213 PolarHBondContact O-N 3.45Å; L211-A214 PolarHBondContact O-N 3.41Å; L211-A215 WeakPolarHBondContact O-CB 3.49Å; L211-A215 PolarHBondContact O-N 2.81Å; L211-L281 HydrophobicContact CB-CD2 3.98Å
212Y98.7Very high95.7Very high17 Ų1711.5 Ų11.57%0.0677%0.068CC..Hα-helixtrans-60.5-44.8172.9-174.7-79.1000111.5G208 A214 A215 T216 S218 P220 I246 A247 L263 L281G208-Y212 WeakPolarHBondContact O-CB 3.39Å; G208-Y212 PolarHBondContact O-N 3.4Å; Y212-A214 PolarHBondContact O-N 3.06Å; Y212-A215 PolarHBondContact O-N 2.89Å; Y212-T216 HydrophobicContact CD1-CG2 4.19Å; Y212-T216 WeakPolarHBondContact CD1-OG1 3.42Å; Y212-T216 HydrophobicContact CE1-CG2 3.83Å; Y212-T216 WeakPolarHBondContact CE1-OG1 3.38Å; Y212-T216 HydrophobicContact CE2-CG2 4.19Å; Y212-T216 WeakPolarHBondContact O-CB 3.42Å; Y212-T216 WeakPolarHBondContact O-CG2 3.23Å; Y212-T216 PolarHBondContact O-N 2.94Å; Y212-T216 PolarHBondContact O-OG1 3.22Å; Y212-S218 VanDerWaalsContact CD1-O 3.32Å; Y212-S218 WeakPolarHBondContact CD1-O 3.45Å; Y212-S218 WeakPolarHBondContact CE1-O 3.48Å; Y212-P220 HydrophobicContact CD1-CB 3.61Å; Y212-P220 HydrophobicContact CD1-CG 4.09Å; Y212-P220 HydrophobicContact CD2-CB 4.06Å; Y212-P220 VanDerWaalsContact CE1-CA 3.42Å; Y212-P220 HydrophobicContact CE1-CB 3.91Å; Y212-P220 HydrophobicContact CE2-CB 4.33Å; Y212-P220 HydrophobicContact CG-CB 3.7Å; Y212-P220 HydrophobicContact CG-CG 4.21Å; Y212-I246 HydrophobicContact CD2-CD1 4.47Å; Y212-I246 HydrophobicContact CE2-CD1 4.18Å; Y212-I246 HydrophobicContact CE2-CG1 4.24Å; Y212-A247 HydrophobicContact CE2-CB 3.79Å; Y212-A247 WeakPolarHBondContact OH-CB 3.31Å; Y212-L263 HydrophobicContact CD2-CD2 3.97Å; Y212-L263 HydrophobicContact CE2-CD2 3.85Å; Y212-L281 HydrophobicContact CD2-CD1 4.25Å
213H98.3Very high96.2Very high21 Ų2111.5 Ų11.510%0.0977%0.067CC..Hα-helixtrans-63.9-40.7177.8-171.8-173.3000111.6Y179 V209 T210 L211 T216 G217 S218Y179-H213 AromaticContact CZ-ND1 3.96Å; Y179-H213 PolarHBondContact OH-CE1 3.34Å; Y179-H213 PolarHBondContact OH-ND1 2.81Å; V209-H213 WeakPolarHBondContact O-CB 3.45Å; V209-H213 PolarHBondContact O-N 3.43Å; T210-H213 PolarHBondContact O-N 3.42Å; L211-H213 VanDerWaalsContact C-N 3.34Å; L211-H213 PolarHBondContact O-N 3.45Å; H213-T216 PolarHBondContact O-N 2.97Å; H213-G217 VanDerWaalsContact O-CA 3.29Å; H213-G217 WeakPolarHBondContact O-CA 3.38Å; H213-G217 PolarHBondContact O-N 2.94Å; H213-S218 WeakPolarHBondContact CA-O 3.44Å
214A98.6Very high96.3Very high0 Ų015.4 Ų15.40%09%0.085CC..Hα-helixtrans-64.3-39.5174.300000112.5G106 L107 F112 T210 L211 Y212G106-A214 CarbonylContact C-O 3.51Å; G106-A214 WeakPolarHBondContact CA-O 3.46Å; L107-A214 HydrophobicContact CD1-CB 4.06Å; L107-A214 PolarHBondContact N-O 3.37Å; F112-A214 HydrophobicContact CD2-CB 4.02Å; F112-A214 HydrophobicContact CE2-CB 4.04Å; T210-A214 WeakPolarHBondContact O-CB 3.26Å; T210-A214 PolarHBondContact O-N 3.11Å; L211-A214 PolarHBondContact O-N 3.41Å; Y212-A214 PolarHBondContact O-N 3.06Å
215A98.6Very high95.8Very high0 Ų017.7 Ų17.70%011%0.108CC..Hα-helixtrans-72.6-29.1-179.900000113.6F112 L211 Y212 L263 C267 L269 L277F112-A215 HydrophobicContact CD2-CB 4.22Å; F112-A215 HydrophobicContact CE2-CB 3.76Å; F112-A215 HydrophobicContact CZ-CB 4.39Å; L211-A215 WeakPolarHBondContact O-CB 3.49Å; L211-A215 PolarHBondContact O-N 2.81Å; Y212-A215 PolarHBondContact O-N 2.89Å; A215-L263 HydrophobicContact CB-CD2 4.47Å; A215-C267 PolarHBondContact O-SG 3.25Å; A215-L269 HydrophobicContact CB-CD1 3.74Å; A215-L277 HydrophobicContact CB-CD2 4.23Å
216T97.9Very high95.4Very high2 Ų218.4 Ų18.41%0.01212%0.117CC..Hα-helixtrans-122.2-13.7-168.669.10000115F105 G106 Y212 H213 S218 L263 P264F105-T216 VanDerWaalsContact C-C 3.45Å; F105-T216 CarbonylContact C-O 3.51Å; F105-T216 VanDerWaalsContact CA-O 3.31Å; F105-T216 WeakPolarHBondContact CA-O 3.36Å; G106-T216 PolarHBondContact N-O 3.49Å; Y212-T216 HydrophobicContact CD1-CG2 4.19Å; Y212-T216 WeakPolarHBondContact CD1-OG1 3.42Å; Y212-T216 HydrophobicContact CE1-CG2 3.83Å; Y212-T216 WeakPolarHBondContact CE1-OG1 3.38Å; Y212-T216 HydrophobicContact CE2-CG2 4.19Å; Y212-T216 WeakPolarHBondContact O-CB 3.42Å; Y212-T216 WeakPolarHBondContact O-CG2 3.23Å; Y212-T216 PolarHBondContact O-N 2.94Å; Y212-T216 PolarHBondContact O-OG1 3.22Å; H213-T216 PolarHBondContact O-N 2.97Å; T216-S218 PolarHBondContact O-N 2.96Å; T216-S218 PolarHBondContact OG1-N 2.78Å; T216-S218 PolarHBondContact OG1-O 3.39Å; T216-L263 HydrophobicContact CG2-CD2 3.65Å; T216-P264 HydrophobicContact CG2-CG 3.9Å
217G96.2Very high94.8Very high16 Ų1619 Ų1917%0.16512%0.12CC..SBendtrans71.64-173.700000113.8G106 H213G106-G217 VanDerWaalsContact CA-N 3.34Å; H213-G217 VanDerWaalsContact O-CA 3.29Å; H213-G217 WeakPolarHBondContact O-CA 3.38Å; H213-G217 PolarHBondContact O-N 2.94Å
218S93.6Very high94.1Very high58 Ų5826.6 Ų26.641%0.40615%0.149SC..SBendtrans-133.1155.2-179.6-66.80000111.4Y212 H213 T216Y212-S218 VanDerWaalsContact CD1-O 3.32Å; Y212-S218 WeakPolarHBondContact CD1-O 3.45Å; Y212-S218 WeakPolarHBondContact CE1-O 3.48Å; H213-S218 WeakPolarHBondContact CA-O 3.44Å; T216-S218 PolarHBondContact O-N 2.96Å; T216-S218 PolarHBondContact OG1-N 2.78Å; T216-S218 PolarHBondContact OG1-O 3.39Å
219L95.8Very high93.5Very high34 Ų3437.1 Ų37.118%0.17819%0.189CC..  trans-69.2149.1173.5-67.6168.7000110.9E178 Y179 V209 I222 P227E178-L219 HydrophobicContact CB-CD1 3.79Å; E178-L219 HydrophobicContact CB-CD2 4.24Å; E178-L219 HydrophobicContact CG-CD1 3.83Å; Y179-L219 HydrophobicContact CE1-CD2 4.13Å; Y179-L219 HydrophobicContact CE2-CD2 4.34Å; V209-L219 HydrophobicContact CG1-CD2 4.1Å; L219-I222 HydrophobicContact CB-CG1 4.35Å; L219-I222 WeakPolarHBondContact O-CD1 3.25Å; L219-I222 WeakPolarHBondContact O-CG1 3.39Å; L219-P227 HydrophobicContact CD1-CG 4.31Å
220P97.1Very high93.1Very high4 Ų439.2 Ų39.23%0.02620%0.2CC..SBendtrans-69.6-31.6178.224.9-31.5000113.2V209 Y212 I246 A247 G248V209-P220 HydrophobicContact CB-CG 4.29Å; V209-P220 HydrophobicContact CG1-CG 3.96Å; V209-P220 HydrophobicContact CG2-CG 4.09Å; Y212-P220 HydrophobicContact CD1-CB 3.61Å; Y212-P220 HydrophobicContact CD1-CG 4.09Å; Y212-P220 HydrophobicContact CD2-CB 4.06Å; Y212-P220 VanDerWaalsContact CE1-CA 3.42Å; Y212-P220 HydrophobicContact CE1-CB 3.91Å; Y212-P220 HydrophobicContact CE2-CB 4.33Å; Y212-P220 HydrophobicContact CG-CB 3.7Å; Y212-P220 HydrophobicContact CG-CG 4.21Å; P220-I246 WeakPolarHBondContact CB-O 3.39Å; P220-A247 HydrophobicContact CB-CB 4.31Å; P220-A247 CarbonylContact O-C 3.58Å; P220-A247 WeakPolarHBondContact O-CA 3.38Å; P220-A247 VanDerWaalsContact O-CB 3.25Å; P220-A247 WeakPolarHBondContact O-CB 3.46Å; P220-G248 PolarHBondContact O-N 3.47Å
221F96.1Very high92.6Very high4 Ų442.1 Ų42.12%0.01821%0.212CC..EExtended strand (participates in β ladder)trans-119.3113.8-174.2-54.5-61.7000110.5W205 M234 I237 T238 K241 G248 L285W205-F221 AromaticContact CH2-CE2 3.82Å; W205-F221 HydrophobicContact CH2-CE2 3.82Å; W205-F221 HydrophobicContact CH2-CZ 4.14Å; W205-F221 HydrophobicContact CZ2-CD2 4.12Å; W205-F221 AromaticContact CZ2-CE2 3.57Å; W205-F221 HydrophobicContact CZ2-CE2 3.57Å; W205-F221 HydrophobicContact CZ2-CZ 4.34Å; F221-M234 HydrophobicContact CB-CE 3.94Å; F221-M234 HydrophobicContact CB-SD 4.08Å; F221-I237 HydrophobicContact CB-CG2 3.81Å; F221-I237 HydrophobicContact CD1-CG2 3.61Å; F221-I237 HydrophobicContact CG-CG2 4.06Å; F221-T238 HydrophobicContact CB-CG2 4.09Å; F221-T238 HydrophobicContact CD2-CG2 3.83Å; F221-T238 HydrophobicContact CE2-CG2 4.47Å; F221-T238 HydrophobicContact CG-CG2 3.92Å; F221-K241 HydrophobicContact CE1-CD 3.59Å; F221-K241 HydrophobicContact CE1-CG 4.36Å; F221-K241 HydrophobicContact CZ-CD 3.62Å; F221-G248 CarbonylContact C-O 3.46Å; F221-G248 VanDerWaalsContact CA-O 3.27Å; F221-G248 WeakPolarHBondContact CA-O 3.45Å; F221-L285 HydrophobicContact CE2-CD2 4.44Å
222I93.9Very high92.2Very high70 Ų7047.9 Ų47.936%0.35924%0.239SC..EExtended strand (participates in β ladder)trans-132.2103.4-170.8-52.9178.7000110.3L219 G248 A249 Q250L219-I222 HydrophobicContact CB-CG1 4.35Å; L219-I222 WeakPolarHBondContact O-CD1 3.25Å; L219-I222 WeakPolarHBondContact O-CG1 3.39Å; I222-G248 PolarHBondContact N-O 2.91Å; I222-A249 HydrophobicContact CB-CB 4.42Å; I222-A249 CarbonylContact O-C 3.55Å; I222-A249 VanDerWaalsContact O-CA 3.29Å; I222-A249 WeakPolarHBondContact O-CA 3.46Å; I222-Q250 PolarHBondContact O-N 3.01Å
223P93.4Very high91.9Very high1 Ų148 Ų481%0.00624%0.241CC..  trans-75.5158.7170.433.8-36.4000111G225 G226 P227 N230 I233 M234 I237P223-G225 PolarHBondContact O-N 3.08Å; P223-G226 PolarHBondContact O-N 3.4Å; P223-P227 HydrophobicContact CG-CB 4.42Å; P223-N230 HydrophobicContact CB-CB 4.1Å; P223-N230 HydrophobicContact CG-CB 4.28Å; P223-I233 HydrophobicContact CB-CB 3.88Å; P223-I233 HydrophobicContact CB-CG2 3.62Å; P223-M234 HydrophobicContact CG-CB 4.2Å; P223-I237 HydrophobicContact CB-CD1 4.06Å
224F91.2Very high91.6Very high84 Ų8447.3 Ų47.337%0.36824%0.238SC..THydrogen-bonded Turntrans-61.7131.4174-177.2-100.2000110G226 N230 Q250 R251 R252 E253F224-G226 VanDerWaalsContact C-N 3.27Å; F224-G226 PolarHBondContact O-N 3Å; F224-N230 PolarHBondContact O-ND2 3.12Å; F224-Q250 WeakPolarHBondContact CA-O 3.37Å; F224-Q250 HydrophobicContact CB-CB 4.38Å; F224-Q250 HydrophobicContact CB-CG 4.15Å; F224-Q250 PolarHBondContact N-O 3.42Å; F224-R251 VanDerWaalsContact CD2-O 3.31Å; F224-R251 WeakPolarHBondContact CD2-O 3.24Å; F224-R252 VanDerWaalsContact CD2-CA 3.45Å; F224-E253 HydrophobicContact CD1-CB 3.68Å; F224-E253 HydrophobicContact CD1-CG 4.22Å; F224-E253 HydrophobicContact CE1-CB 3.62Å; F224-E253 HydrophobicContact CE1-CG 4.31Å; F224-E253 HydrophobicContact CG-CB 4.47Å; F224-E253 HydrophobicContact CZ-CB 4.36Å
225G84.5Confident91.2Very high47 Ų4749.2 Ų49.249%0.48525%0.245SC..THydrogen-bonded Turntrans82.5-5.4-17500000115.2P223 R229P223-G225 PolarHBondContact O-N 3.08Å; G225-R229 WeakPolarHBondContact O-CD 3.45Å
226G85.4Confident90.9Very high19 Ų1953.4 Ų53.420%0.19626%0.261CS..  trans97.1155.117300000114.8P223 F224 R228 R229 N230P223-G226 PolarHBondContact O-N 3.4Å; F224-G226 VanDerWaalsContact C-N 3.27Å; F224-G226 PolarHBondContact O-N 3Å; G226-R228 VanDerWaalsContact C-N 3.32Å; G226-R228 PolarHBondContact O-N 2.82Å; G226-R229 PolarHBondContact O-N 3.04Å; G226-R229 VanDerWaalsContact O-N 3.1Å; G226-N230 PolarHBondContact O-N 2.76Å
227P82.6Confident90.7Very high20 Ų2053.3 Ų53.313%0.1326%0.26CS..THydrogen-bonded Turntrans-60.2-36.2-166.222-33.2000113.9E178 L219 P223 M234E178-P227 HydrophobicContact CG-CB 4.08Å; E178-P227 HydrophobicContact CG-CG 3.66Å; L219-P227 HydrophobicContact CD1-CG 4.31Å; P223-P227 HydrophobicContact CG-CB 4.42Å; P227-M234 HydrophobicContact CB-CG 4.33Å; P227-M234 HydrophobicContact CB-SD 4.12Å
228R81.9Confident90.6Very high159 Ų15952.6 Ų52.660%0.625%0.253SS*.THydrogen-bonded Turntrans-75.8-26.4-179.6-58.1-170.8-173.8-176.6-1.6114.1E178 G226 K231E178-R228 IonicContact OE1-CZ 3.89Å; E178-R228 IonicContact OE1-NE 2.85Å; E178-R228 PolarHBondContact OE1-NE 2.98Å; E178-R228 IonicContact OE1-NH2 2.85Å; E178-R228 PolarHBondContact OE1-NH2 3.44Å; E178-R228 IonicContact OE2-NH2 3.22Å; G226-R228 VanDerWaalsContact C-N 3.32Å; G226-R228 PolarHBondContact O-N 2.82Å; R228-K231 WeakPolarHBondContact O-CE 3.44Å
229R85.6Confident90.4Very high221 Ų22152 Ų5283%0.83425%0.247SC*.THydrogen-bonded Turntrans-85.7-32.7-178-68.2-167.9-179.3-177.8-1.3111.8G225 G226G225-R229 WeakPolarHBondContact O-CD 3.45Å; G226-R229 PolarHBondContact O-N 3.04Å; G226-R229 VanDerWaalsContact O-N 3.1Å
230N88.1Confident90.3Very high44 Ų4456 Ų5624%0.23527%0.265CS..  trans-123.771.6-172.9-158.4-14.6000111P223 F224 G226 E232 I233 M234P223-N230 HydrophobicContact CB-CB 4.1Å; P223-N230 HydrophobicContact CG-CB 4.28Å; F224-N230 PolarHBondContact O-ND2 3.12Å; G226-N230 PolarHBondContact O-N 2.76Å; N230-E232 PolarHBondContact O-N 3.16Å; N230-I233 VanDerWaalsContact CG-CG1 3.49Å; N230-I233 WeakPolarHBondContact ND2-CG1 3.4Å; N230-I233 PolarHBondContact O-N 3.15Å; N230-I233 WeakPolarHBondContact OD1-CB 3.4Å; N230-I233 WeakPolarHBondContact OD1-CG1 3.42Å; N230-M234 PolarHBondContact O-N 3.17Å
231K89.4Confident90.2Very high62 Ų6256.4 Ų56.427%0.2727%0.266SS..Hα-helixtrans-69.2-35.1-168.1-67.2176163.7-154.10112.3E177 Y185 V189 L190 R228 M234 Y235E177-K231 IonicContact OE1-NZ 2.89Å; E177-K231 PolarHBondContact OE1-NZ 3.19Å; E177-K231 IonicContact OE2-NZ 4Å; Y185-K231 WeakPolarHBondContact CE1-O 3.47Å; Y185-K231 WeakPolarHBondContact OH-CA 3.44Å; V189-K231 HydrophobicContact CG1-CB 4.25Å; V189-K231 HydrophobicContact CG1-CD 3.56Å; V189-K231 HydrophobicContact CG1-CG 3.98Å; L190-K231 HydrophobicContact CD2-CB 3.99Å; R228-K231 WeakPolarHBondContact O-CE 3.44Å; K231-M234 PolarHBondContact O-N 3.26Å; K231-Y235 PolarHBondContact O-N 3.32Å
232E89.6Confident90.1Very high123 Ų12358 Ų5858%0.57528%0.277SS*.Hα-helixtrans-66.7-45.6177.6-72.264.9-148.500111N230 Y235 R236N230-E232 PolarHBondContact O-N 3.16Å; E232-Y235 PolarHBondContact O-N 3.01Å; E232-R236 WeakPolarHBondContact O-CB 3.48Å; E232-R236 PolarHBondContact O-N 2.71Å
233I91.3Very high90.1Very high19 Ų1958 Ų5810%0.09729%0.287CS..Hα-helixtrans-69.4-37.2176.8-58.6-68000110.6P223 N230 R236 I237 L257P223-I233 HydrophobicContact CB-CB 3.88Å; P223-I233 HydrophobicContact CB-CG2 3.62Å; N230-I233 VanDerWaalsContact CG-CG1 3.49Å; N230-I233 WeakPolarHBondContact ND2-CG1 3.4Å; N230-I233 PolarHBondContact O-N 3.15Å; N230-I233 WeakPolarHBondContact OD1-CB 3.4Å; N230-I233 WeakPolarHBondContact OD1-CG1 3.42Å; I233-R236 VanDerWaalsContact CD1-NH2 3.28Å; I233-R236 PolarHBondContact O-N 2.99Å; I233-I237 HydrophobicContact CG2-CD1 3.74Å; I233-I237 HydrophobicContact CG2-CG1 4.08Å; I233-I237 WeakPolarHBondContact O-CB 3.42Å; I233-I237 VanDerWaalsContact O-CG1 3.27Å; I233-I237 WeakPolarHBondContact O-CG1 3.47Å; I233-I237 PolarHBondContact O-N 2.69Å; I233-L257 HydrophobicContact CG2-CD2 4.23Å
234M92.1Very high90.2Very high6 Ų659.4 Ų59.43%0.0330%0.302CS..Hα-helixtrans-56.6-51.4173.2-178.656.9-169.800110.9Y185 F221 P223 P227 N230 K231 R236 I237 T238Y185-M234 HydrophobicContact CE1-CG 4.47Å; Y185-M234 HydrophobicContact CE2-CG 4.03Å; F221-M234 HydrophobicContact CB-CE 3.94Å; F221-M234 HydrophobicContact CB-SD 4.08Å; P223-M234 HydrophobicContact CG-CB 4.2Å; P227-M234 HydrophobicContact CB-CG 4.33Å; P227-M234 HydrophobicContact CB-SD 4.12Å; N230-M234 PolarHBondContact O-N 3.17Å; K231-M234 PolarHBondContact O-N 3.26Å; M234-R236 VanDerWaalsContact C-N 3.34Å; M234-R236 PolarHBondContact O-N 2.67Å; M234-I237 PolarHBondContact O-N 3.27Å; M234-T238 HydrophobicContact CE-CG2 3.63Å; M234-T238 WeakPolarHBondContact O-CG2 3.42Å; M234-T238 PolarHBondContact O-N 2.85Å; M234-T238 PolarHBondContact O-OG1 2.96Å; M234-T238 HydrophobicContact SD-CG2 4.27Å
235Y91.3Very high90.5Very high41 Ų4155.4 Ų55.416%0.16128%0.284CS..Hα-helixtrans-56.6-49176.1176.6-107.3000111.3Y185 E186 L190 K231 E232 I237 T238 T239Y185-Y235 HydrophobicContact CD1-CD2 4.24Å; E186-Y235 HydrophobicContact CB-CD2 4.17Å; E186-Y235 HydrophobicContact CB-CE2 3.54Å; E186-Y235 HydrophobicContact CG-CE2 4.12Å; E186-Y235 PolarHBondContact OE1-OH 3.18Å; E186-Y235 PolarHBondContact OE2-OH 3.49Å; L190-Y235 HydrophobicContact CD1-CD1 3.81Å; L190-Y235 HydrophobicContact CD1-CD2 4.12Å; L190-Y235 HydrophobicContact CD1-CE1 4.45Å; L190-Y235 HydrophobicContact CD1-CG 3.6Å; K231-Y235 PolarHBondContact O-N 3.32Å; E232-Y235 PolarHBondContact O-N 3.01Å; Y235-I237 PolarHBondContact O-N 2.81Å; Y235-T238 PolarHBondContact O-N 3.49Å; Y235-T238 VanDerWaalsContact O-N 3.09Å; Y235-T238 PolarHBondContact O-OG1 3.27Å; Y235-T239 HydrophobicContact CD2-CG2 3.95Å; Y235-T239 HydrophobicContact CE1-CG2 4.2Å; Y235-T239 HydrophobicContact CE2-CG2 3.47Å; Y235-T239 VanDerWaalsContact CE2-CG2 3.47Å; Y235-T239 HydrophobicContact CG-CG2 4.49Å; Y235-T239 PolarHBondContact O-N 3.5Å; Y235-T239 PolarHBondContact O-OG1 3.43Å
236R92.9Very high91.1Very high87 Ų8753.2 Ų53.233%0.32826%0.261SS..Hα-helixtrans-58.8-44.9178.9-16417870.8-162.23.6113.2E232 I233 M234 T238 T239 E240E232-R236 WeakPolarHBondContact O-CB 3.48Å; E232-R236 PolarHBondContact O-N 2.71Å; I233-R236 VanDerWaalsContact CD1-NH2 3.28Å; I233-R236 PolarHBondContact O-N 2.99Å; M234-R236 VanDerWaalsContact C-N 3.34Å; M234-R236 PolarHBondContact O-N 2.67Å; R236-T238 PolarHBondContact O-N 2.64Å; R236-T239 PolarHBondContact O-N 3.39Å; R236-T239 PolarHBondContact O-OG1 3.31Å; R236-E240 WeakPolarHBondContact CD-OE1 3.4Å; R236-E240 WeakPolarHBondContact CD-OE2 3.15Å; R236-E240 HydrophobicContact CG-CG 3.82Å; R236-E240 WeakPolarHBondContact CG-OE1 3.37Å; R236-E240 WeakPolarHBondContact CG-OE2 3.34Å; R236-E240 IonicContact NE-OE2 3.18Å; R236-E240 VanDerWaalsContact O-CB 3.3Å; R236-E240 WeakPolarHBondContact O-CB 3.46Å; R236-E240 PolarHBondContact O-N 2.82Å
237I93.6Very high91.7Very high0 Ų052.6 Ų52.60%026%0.255CS..Hα-helixtrans-60.5-38.5176.2-71.9170.4000110.7F221 P223 I233 M234 Y235 Q250 L257 W259F221-I237 HydrophobicContact CB-CG2 3.81Å; F221-I237 HydrophobicContact CD1-CG2 3.61Å; F221-I237 HydrophobicContact CG-CG2 4.06Å; P223-I237 HydrophobicContact CB-CD1 4.06Å; I233-I237 HydrophobicContact CG2-CD1 3.74Å; I233-I237 HydrophobicContact CG2-CG1 4.08Å; I233-I237 WeakPolarHBondContact O-CB 3.42Å; I233-I237 VanDerWaalsContact O-CG1 3.27Å; I233-I237 WeakPolarHBondContact O-CG1 3.47Å; I233-I237 PolarHBondContact O-N 2.69Å; M234-I237 PolarHBondContact O-N 3.27Å; Y235-I237 PolarHBondContact O-N 2.81Å; I237-Q250 HydrophobicContact CD1-CB 4.47Å; I237-L257 HydrophobicContact CB-CD1 4.41Å; I237-L257 HydrophobicContact CD1-CD2 3.78Å; I237-L257 HydrophobicContact CG1-CD1 3.64Å; I237-L257 HydrophobicContact CG1-CD2 3.38Å; I237-L257 HydrophobicContact CG1-CG 4.07Å; I237-W259 HydrophobicContact CG2-CH2 4.18Å; I237-W259 HydrophobicContact CG2-CZ3 3.92Å; I237-W259 WeakPolarHBondContact O-CH2 3.42Å; I237-W259 WeakPolarHBondContact O-CZ3 3.42Å
238T92.4Very high92.4Very high2 Ų251.8 Ų51.81%0.01225%0.25CC..Hα-helixtrans-80-25.6-177.761.40000113.6W205 F221 M234 Y235 R236 V287W205-T238 HydrophobicContact CZ2-CG2 4.06Å; F221-T238 HydrophobicContact CB-CG2 4.09Å; F221-T238 HydrophobicContact CD2-CG2 3.83Å; F221-T238 HydrophobicContact CE2-CG2 4.47Å; F221-T238 HydrophobicContact CG-CG2 3.92Å; M234-T238 HydrophobicContact CE-CG2 3.63Å; M234-T238 WeakPolarHBondContact O-CG2 3.42Å; M234-T238 PolarHBondContact O-N 2.85Å; M234-T238 PolarHBondContact O-OG1 2.96Å; M234-T238 HydrophobicContact SD-CG2 4.27Å; Y235-T238 PolarHBondContact O-N 3.49Å; Y235-T238 VanDerWaalsContact O-N 3.09Å; Y235-T238 PolarHBondContact O-OG1 3.27Å; R236-T238 PolarHBondContact O-N 2.64Å; T238-V287 WeakPolarHBondContact O-CG2 3.11Å
239T90.8Very high93Very high44 Ų4445.8 Ų45.827%0.2723%0.234SC..Hα-helixtrans-97-35.5-178.152.80000114.6P182 Y235 R236 K241P182-T239 HydrophobicContact CB-CG2 3.66Å; Y235-T239 HydrophobicContact CD2-CG2 3.95Å; Y235-T239 HydrophobicContact CE1-CG2 4.2Å; Y235-T239 HydrophobicContact CE2-CG2 3.47Å; Y235-T239 VanDerWaalsContact CE2-CG2 3.47Å; Y235-T239 HydrophobicContact CG-CG2 4.49Å; Y235-T239 PolarHBondContact O-N 3.5Å; Y235-T239 PolarHBondContact O-OG1 3.43Å; R236-T239 PolarHBondContact O-N 3.39Å; R236-T239 PolarHBondContact O-OG1 3.31Å; T239-K241 PolarHBondContact O-N 2.94Å
240E93.1Very high93.5Very high119 Ų11935.7 Ų35.756%0.55620%0.196SC*.SBendtrans-846.9177.4-62.6-179.4179.400112.7R236R236-E240 WeakPolarHBondContact CD-OE1 3.4Å; R236-E240 WeakPolarHBondContact CD-OE2 3.15Å; R236-E240 HydrophobicContact CG-CG 3.82Å; R236-E240 WeakPolarHBondContact CG-OE1 3.37Å; R236-E240 WeakPolarHBondContact CG-OE2 3.34Å; R236-E240 IonicContact NE-OE2 3.18Å; R236-E240 VanDerWaalsContact O-CB 3.3Å; R236-E240 WeakPolarHBondContact O-CB 3.46Å; R236-E240 PolarHBondContact O-N 2.82Å
241K94.6Very high93.6Very high12 Ų1242 Ų425%0.05222%0.217CC..PPolyproline II helixtrans-60.7127.3-178.8-172.5-172.471.871.30110.6F221 T239 A245 W259 L285F221-K241 HydrophobicContact CE1-CD 3.59Å; F221-K241 HydrophobicContact CE1-CG 4.36Å; F221-K241 HydrophobicContact CZ-CD 3.62Å; T239-K241 PolarHBondContact O-N 2.94Å; K241-A245 HydrophobicContact CD-CB 4.46Å; K241-A245 WeakPolarHBondContact CD-O 3.22Å; K241-A245 HydrophobicContact CG-CB 3.94Å; K241-A245 PolarHBondContact NZ-O 3.28Å; K241-W259 VanDerWaalsContact CA-CH2 3.45Å; K241-W259 HydrophobicContact CB-CE3 4.45Å; K241-W259 HydrophobicContact CB-CH2 3.99Å; K241-W259 HydrophobicContact CB-CZ3 3.75Å; K241-W259 HydrophobicContact CG-CE3 4.02Å; K241-W259 HydrophobicContact CG-CH2 4.44Å; K241-W259 HydrophobicContact CG-CZ3 3.74Å; K241-L285 WeakPolarHBondContact CE-O 3.43Å; K241-L285 PolarHBondContact NZ-O 2.8Å
242P95.1Very high93.7Very high39 Ų3947.3 Ų47.325%0.25324%0.235SC..PPolyproline II helixtrans-67.8154.3174.826.9-31.3000111.5G244 A245 W259 Y261P242-G244 PolarHBondContact O-N 2.86Å; P242-A245 HydrophobicContact CG-CB 3.83Å; P242-A245 PolarHBondContact O-N 3.04Å; P242-W259 VanDerWaalsContact CD-CD2 3.41Å; P242-W259 HydrophobicContact CG-CB 4.2Å; P242-W259 HydrophobicContact CG-CD2 4.07Å; P242-W259 HydrophobicContact CG-CG 3.81Å; P242-Y261 VanDerWaalsContact CG-OH 3.29Å; P242-Y261 WeakPolarHBondContact CG-OH 3.49Å
243A92.9Very high93.8Very high70 Ų7048.2 Ų48.258%0.57924%0.239SC*.THydrogen-bonded Turntrans-56.8136.7174.600000110.4A245A243-A245 VanDerWaalsContact C-N 3.26Å; A243-A245 PolarHBondContact O-N 3.49Å
244G95.2Very high93.7Very high30 Ų3054.3 Ų54.331%0.30927%0.272SS..THydrogen-bonded Turntrans82.2-16.6-178.900000115.9P242 Y261P242-G244 PolarHBondContact O-N 2.86Å; G244-Y261 VanDerWaalsContact C-CD1 3.46Å; G244-Y261 WeakPolarHBondContact O-CD1 3.27Å
245A97.3Very high93.7Very high0 Ų054.4 Ų54.40%027%0.274CS..  trans-70.5134.4174.500000110.5K241 P242 A243 W259 S260 Y261K241-A245 HydrophobicContact CD-CB 4.46Å; K241-A245 WeakPolarHBondContact CD-O 3.22Å; K241-A245 HydrophobicContact CG-CB 3.94Å; K241-A245 PolarHBondContact NZ-O 3.28Å; P242-A245 HydrophobicContact CG-CB 3.83Å; P242-A245 PolarHBondContact O-N 3.04Å; A243-A245 VanDerWaalsContact C-N 3.26Å; A243-A245 PolarHBondContact O-N 3.49Å; A245-W259 HydrophobicContact CB-CB 4.24Å; A245-S260 WeakPolarHBondContact CA-O 3.5Å; A245-Y261 HydrophobicContact CB-CD1 4.17Å; A245-Y261 HydrophobicContact CB-CE1 3.81Å
246I97.9Very high93.8Very high0 Ų056.5 Ų56.50%029%0.293CS..  trans-106.5-13.5-178.264.2171.8000112.7Y212 P220 S260 L263 V278 L281 A282Y212-I246 HydrophobicContact CD2-CD1 4.47Å; Y212-I246 HydrophobicContact CE2-CD1 4.18Å; Y212-I246 HydrophobicContact CE2-CG1 4.24Å; P220-I246 WeakPolarHBondContact CB-O 3.39Å; I246-S260 PolarHBondContact N-O 3.27Å; I246-L263 HydrophobicContact CD1-CD2 4.09Å; I246-L263 HydrophobicContact CD1-CG 4.26Å; I246-V278 HydrophobicContact CD1-CG1 4.4Å; I246-V278 HydrophobicContact CD1-CG2 4.11Å; I246-L281 HydrophobicContact CB-CB 4.36Å; I246-L281 HydrophobicContact CD1-CD1 4.45Å; I246-L281 HydrophobicContact CG2-CB 3.87Å; I246-A282 HydrophobicContact CG2-CB 3.9Å
247A97.8Very high93.9Very high7 Ų753.7 Ų53.76%0.05828%0.284CS..EExtended strand (participates in β ladder)trans-149.8154.7177.800000111.6Y212 P220 W259 S260Y212-A247 HydrophobicContact CE2-CB 3.79Å; Y212-A247 WeakPolarHBondContact OH-CB 3.31Å; P220-A247 HydrophobicContact CB-CB 4.31Å; P220-A247 CarbonylContact O-C 3.58Å; P220-A247 WeakPolarHBondContact O-CA 3.38Å; P220-A247 VanDerWaalsContact O-CB 3.25Å; P220-A247 WeakPolarHBondContact O-CB 3.46Å; A247-W259 WeakPolarHBondContact O-CA 3.33Å; A247-S260 PolarHBondContact N-O 3.36Å; A247-S260 PolarHBondContact O-N 3.22Å
248G96.8Very high94.1Very high2 Ų257.4 Ų57.42%0.02130%0.302CS..EExtended strand (participates in β ladder)trans-150.3129.1-179.900000111.6P220 F221 I222 E258P220-G248 PolarHBondContact O-N 3.47Å; F221-G248 CarbonylContact C-O 3.46Å; F221-G248 VanDerWaalsContact CA-O 3.27Å; F221-G248 WeakPolarHBondContact CA-O 3.45Å; I222-G248 PolarHBondContact N-O 2.91Å; G248-E258 CarbonylContact C-O 3.6Å; G248-E258 VanDerWaalsContact CA-O 3.27Å; G248-E258 WeakPolarHBondContact CA-O 3.27Å
249A95.6Very high94.3Very high34 Ų3460.8 Ų60.828%0.28132%0.315SS..EExtended strand (participates in β ladder)trans-135.9147.8-178.500000112.9I222 E258I222-A249 HydrophobicContact CB-CB 4.42Å; I222-A249 CarbonylContact O-C 3.55Å; I222-A249 VanDerWaalsContact O-CA 3.29Å; I222-A249 WeakPolarHBondContact O-CA 3.46Å; A249-E258 PolarHBondContact N-O 3.44Å; A249-E258 PolarHBondContact O-N 3.02Å
250Q95.4Very high94.7Very high8 Ų860.6 Ų60.64%0.03732%0.315CS..  trans-110.3110.7168.5-171.8-173.347.100109.3I222 F224 I237 R252 G255 L257I222-Q250 PolarHBondContact O-N 3.01Å; F224-Q250 WeakPolarHBondContact CA-O 3.37Å; F224-Q250 HydrophobicContact CB-CB 4.38Å; F224-Q250 HydrophobicContact CB-CG 4.15Å; F224-Q250 PolarHBondContact N-O 3.42Å; I237-Q250 HydrophobicContact CD1-CB 4.47Å; Q250-R252 WeakPolarHBondContact CG-O 3.41Å; Q250-G255 PolarHBondContact NE2-O 3Å; Q250-L257 HydrophobicContact CB-CD2 3.95Å; Q250-L257 HydrophobicContact CG-CD2 4.39Å
251R90.2Very high94.9Very high176 Ų17660.6 Ų60.666%0.66431%0.311SS*.  trans-76.9-28.2-173.2-64.6-164.7-170.9-155.48.1115.2F224 E258F224-R251 VanDerWaalsContact CD2-O 3.31Å; F224-R251 WeakPolarHBondContact CD2-O 3.24Å; R251-E258 VanDerWaalsContact CD-OE1 3.29Å; R251-E258 WeakPolarHBondContact CD-OE1 3.36Å; R251-E258 WeakPolarHBondContact CG-OE1 3.42Å; R251-E258 IonicContact CZ-OE2 2.69Å; R251-E258 VanDerWaalsContact NE-CD 3.29Å; R251-E258 IonicContact NE-OE1 3.96Å; R251-E258 PolarHBondContact NE-OE1 3.09Å; R251-E258 IonicContact NE-OE2 2.71Å; R251-E258 PolarHBondContact NE-OE2 3.38Å; R251-E258 IonicContact NH2-OE2 3.7Å; R251-E258 PolarHBondContact NH2-OE2 3.18Å
252R92.4Very high95Very high175 Ų17564.3 Ų64.366%0.6633%0.334SS*.SBendtrans-139.2154.2-175.961.7-176.9174.4-169-1.7110.4F224 Q250 N254 G255F224-R252 VanDerWaalsContact CD2-CA 3.45Å; Q250-R252 WeakPolarHBondContact CG-O 3.41Å; R252-N254 PolarHBondContact O-N 3.43Å; R252-G255 PolarHBondContact O-N 3.11Å
253E91.5Very high95.2Very high141 Ų14162.7 Ų62.766%0.65932%0.324SS*.THydrogen-bonded Turntrans-53.4131.5176.2-163.6168.8-16200110.6F224 G255F224-E253 HydrophobicContact CD1-CB 3.68Å; F224-E253 HydrophobicContact CD1-CG 4.22Å; F224-E253 HydrophobicContact CE1-CB 3.62Å; F224-E253 HydrophobicContact CE1-CG 4.31Å; F224-E253 HydrophobicContact CG-CB 4.47Å; F224-E253 HydrophobicContact CZ-CB 4.36Å; E253-G255 PolarHBondContact O-N 3.49Å
254N88Confident95.3Very high148 Ų14861.4 Ų61.479%0.79131%0.309SS*.THydrogen-bonded Turntrans55.916-176.8-56.2-40000115.5R252R252-N254 PolarHBondContact O-N 3.43Å
255G91.9Very high95.3Very high7 Ų764.8 Ų64.87%0.07232%0.319CS..PPolyproline II helixtrans-74.9168.3173.900000113.5Q250 R252 E253Q250-G255 PolarHBondContact NE2-O 3Å; R252-G255 PolarHBondContact O-N 3.11Å; E253-G255 PolarHBondContact O-N 3.49Å
256P94.9Very high95.2Very high85 Ų8566 Ų6655%0.55233%0.327SS*.PPolyproline II helixtrans-65.7159.4173.930.7-35.5000111.4
257L95.3Very high95.1Very high28 Ų2866.6 Ų66.615%0.14733%0.331CS..PPolyproline II helixtrans-81.5124.7169.3-57.5-174.8000108.9I233 I237 Q250 W259I233-L257 HydrophobicContact CG2-CD2 4.23Å; I237-L257 HydrophobicContact CB-CD1 4.41Å; I237-L257 HydrophobicContact CD1-CD2 3.78Å; I237-L257 HydrophobicContact CG1-CD1 3.64Å; I237-L257 HydrophobicContact CG1-CD2 3.38Å; I237-L257 HydrophobicContact CG1-CG 4.07Å; Q250-L257 HydrophobicContact CB-CD2 3.95Å; Q250-L257 HydrophobicContact CG-CD2 4.39Å; L257-W259 HydrophobicContact CB-CH2 4.48Å; L257-W259 HydrophobicContact CB-CZ2 3.86Å; L257-W259 HydrophobicContact CD1-CH2 4Å; L257-W259 HydrophobicContact CD1-CZ2 3.75Å; L257-W259 HydrophobicContact CG-CZ2 4.47Å
258E96.8Very high95Very high78 Ų7868.6 Ų68.636%0.36434%0.339SS..EExtended strand (participates in β ladder)trans-99.3123.3176-66.5177.9-155.100109.5G248 A249 R251G248-E258 CarbonylContact C-O 3.6Å; G248-E258 VanDerWaalsContact CA-O 3.27Å; G248-E258 WeakPolarHBondContact CA-O 3.27Å; A249-E258 PolarHBondContact N-O 3.44Å; A249-E258 PolarHBondContact O-N 3.02Å; R251-E258 VanDerWaalsContact CD-OE1 3.29Å; R251-E258 WeakPolarHBondContact CD-OE1 3.36Å; R251-E258 WeakPolarHBondContact CG-OE1 3.42Å; R251-E258 IonicContact CZ-OE2 2.69Å; R251-E258 VanDerWaalsContact NE-CD 3.29Å; R251-E258 IonicContact NE-OE1 3.96Å; R251-E258 PolarHBondContact NE-OE1 3.09Å; R251-E258 IonicContact NE-OE2 2.71Å; R251-E258 PolarHBondContact NE-OE2 3.38Å; R251-E258 IonicContact NH2-OE2 3.7Å; R251-E258 PolarHBondContact NH2-OE2 3.18Å
259W97.6Very high95Very high74 Ų7468.7 Ų68.728%0.2834%0.339SS..EExtended strand (participates in β ladder)trans-102.3142.5-178.1-53.1108.5000111.6I237 K241 P242 A245 A247 L257 Y261I237-W259 HydrophobicContact CG2-CH2 4.18Å; I237-W259 HydrophobicContact CG2-CZ3 3.92Å; I237-W259 WeakPolarHBondContact O-CH2 3.42Å; I237-W259 WeakPolarHBondContact O-CZ3 3.42Å; K241-W259 VanDerWaalsContact CA-CH2 3.45Å; K241-W259 HydrophobicContact CB-CE3 4.45Å; K241-W259 HydrophobicContact CB-CH2 3.99Å; K241-W259 HydrophobicContact CB-CZ3 3.75Å; K241-W259 HydrophobicContact CG-CE3 4.02Å; K241-W259 HydrophobicContact CG-CH2 4.44Å; K241-W259 HydrophobicContact CG-CZ3 3.74Å; P242-W259 VanDerWaalsContact CD-CD2 3.41Å; P242-W259 HydrophobicContact CG-CB 4.2Å; P242-W259 HydrophobicContact CG-CD2 4.07Å; P242-W259 HydrophobicContact CG-CG 3.81Å; A245-W259 HydrophobicContact CB-CB 4.24Å; A247-W259 WeakPolarHBondContact O-CA 3.33Å; L257-W259 HydrophobicContact CB-CH2 4.48Å; L257-W259 HydrophobicContact CB-CZ2 3.86Å; L257-W259 HydrophobicContact CD1-CH2 4Å; L257-W259 HydrophobicContact CD1-CZ2 3.75Å; L257-W259 HydrophobicContact CG-CZ2 4.47Å; W259-Y261 HydrophobicContact CB-CE2 4.44Å
260S97.4Very high95.1Very high40 Ų4068 Ų6828%0.2833%0.332SS..EExtended strand (participates in β ladder)trans-121.5141.7173-168.40000111.6A245 I246 A247 T262A245-S260 WeakPolarHBondContact CA-O 3.5Å; I246-S260 PolarHBondContact N-O 3.27Å; A247-S260 PolarHBondContact N-O 3.36Å; A247-S260 PolarHBondContact O-N 3.22Å; S260-T262 PolarHBondContact OG-N 3.16Å; S260-T262 PolarHBondContact OG-O 3.17Å
261Y98Very high95Very high119 Ų11972.5 Ų72.547%0.46736%0.356SS..SBendtrans-111.2-2177.9-57.8-91.7000112.1P242 G244 A245 W259 V278P242-Y261 VanDerWaalsContact CG-OH 3.29Å; P242-Y261 WeakPolarHBondContact CG-OH 3.49Å; G244-Y261 VanDerWaalsContact C-CD1 3.46Å; G244-Y261 WeakPolarHBondContact O-CD1 3.27Å; A245-Y261 HydrophobicContact CB-CD1 4.17Å; A245-Y261 HydrophobicContact CB-CE1 3.81Å; W259-Y261 HydrophobicContact CB-CE2 4.44Å; Y261-V278 VanDerWaalsContact O-CG1 3.29Å; Y261-V278 WeakPolarHBondContact O-CG1 3.28Å
262T97.8Very high95.3Very high89 Ų8964.2 Ų64.255%0.54633%0.325SS..SBendtrans-131.1159.3178.962.30000109.7S260S260-T262 PolarHBondContact OG-N 3.16Å; S260-T262 PolarHBondContact OG-O 3.17Å
263L97.8Very high95.5Very high6 Ų655.9 Ų55.93%0.03129%0.293CS..  trans-67.7150.6169.9-66.9168.1000109.6Y212 A215 T216 I246 C267 L269 Q274 L277 V278 L281Y212-L263 HydrophobicContact CD2-CD2 3.97Å; Y212-L263 HydrophobicContact CE2-CD2 3.85Å; A215-L263 HydrophobicContact CB-CD2 4.47Å; T216-L263 HydrophobicContact CG2-CD2 3.65Å; I246-L263 HydrophobicContact CD1-CD2 4.09Å; I246-L263 HydrophobicContact CD1-CG 4.26Å; L263-C267 HydrophobicContact CB-CB 4.18Å; L263-L269 HydrophobicContact CD1-CD1 4.43Å; L263-Q274 HydrophobicContact CD1-CB 4.25Å; L263-Q274 HydrophobicContact CD1-CG 3.81Å; L263-L277 HydrophobicContact CD1-CD2 4.22Å; L263-V278 HydrophobicContact CD1-CG2 4.22Å; L263-V278 HydrophobicContact CG-CG2 4.06Å; L263-L281 HydrophobicContact CD2-CD1 4.27Å
264P95.9Very high95.8Very high42 Ų4250.7 Ų50.727%0.27327%0.269SS..  trans-65.3150.8-179.527.4-35000111T216 T266 C267T216-P264 HydrophobicContact CG2-CG 3.9Å; P264-T266 PolarHBondContact O-N 3.43Å; P264-C267 HydrophobicContact CG-CB 4.4Å; P264-C267 WeakPolarHBondContact O-CB 3.5Å; P264-C267 PolarHBondContact O-N 3.1Å
265I94.7Very high96.2Very high102 Ų10246.7 Ų46.752%0.52325%0.252SS..THydrogen-bonded Turntrans-58.6-17.1177.3-165.1169.2000113.8C267 A391 R393I265-C267 VanDerWaalsContact C-N 3.31Å; I265-A391 HydrophobicContact CD1-CB 4.42Å; I265-R393 HydrophobicContact CG2-CB 3.72Å
266T94.8Very high96.5Very high25 Ų2548.9 Ų48.915%0.15326%0.261CS..THydrogen-bonded Turntrans-80.9-11.1175.256.10000113.4F105 P264 R393F105-T266 HydrophobicContact CD1-CG2 4.15Å; F105-T266 HydrophobicContact CE1-CG2 4.26Å; P264-T266 PolarHBondContact O-N 3.43Å; T266-R393 HydrophobicContact CG2-CB 4.27Å
267C96.3Very high96.6Very high13 Ų1344.9 Ų44.99%0.08824%0.235CC..  trans-60.7137.6177-178.10000110.5A215 L263 P264 I265A215-C267 PolarHBondContact O-SG 3.25Å; L263-C267 HydrophobicContact CB-CB 4.18Å; P264-C267 HydrophobicContact CG-CB 4.4Å; P264-C267 WeakPolarHBondContact O-CB 3.5Å; P264-C267 PolarHBondContact O-N 3.1Å; I265-C267 VanDerWaalsContact C-N 3.31Å
268Q95.3Very high96.8Very high48 Ų4844.9 Ų44.922%0.22424%0.236CC..  trans-84.2-13.7-177.3-61.7-173.65700113.7G106 R427G106-Q268 PolarHBondContact O-NE2 3.09Å; Q268-R427 VanDerWaalsContact CD-NE 3.34Å; Q268-R427 VanDerWaalsContact NE2-CZ 3.32Å
269L97.8Very high96.9Very high5 Ų544 Ų443%0.02624%0.237CC..SBendtrans-69.4138.7-179.2-52.8-174.4000110E109 F112 A215 L263 L273 Q274 L277E109-L269 HydrophobicContact CB-CD2 4.13Å; E109-L269 HydrophobicContact CG-CD2 4.45Å; F112-L269 HydrophobicContact CB-CD2 3.87Å; F112-L269 HydrophobicContact CD1-CD1 4.1Å; F112-L269 HydrophobicContact CD1-CD2 4.16Å; F112-L269 HydrophobicContact CD2-CD1 4.42Å; F112-L269 HydrophobicContact CE1-CD1 4.14Å; F112-L269 HydrophobicContact CE2-CD1 4.46Å; F112-L269 HydrophobicContact CG-CD1 4.26Å; F112-L269 HydrophobicContact CG-CD2 3.92Å; F112-L269 HydrophobicContact CZ-CD1 4.33Å; A215-L269 HydrophobicContact CB-CD1 3.74Å; L263-L269 HydrophobicContact CD1-CD1 4.43Å; L269-L273 HydrophobicContact CB-CD2 4.42Å; L269-L273 HydrophobicContact CD1-CD2 4.17Å; L269-L273 HydrophobicContact CD2-CD2 4.08Å; L269-L273 HydrophobicContact CG-CD2 4.45Å; L269-Q274 HydrophobicContact CB-CG 3.97Å; L269-Q274 PolarHBondContact O-NE2 3.21Å; L269-L277 HydrophobicContact CD1-CD2 3.71Å
270S96.7Very high96.9Very high18 Ų1840.6 Ų40.613%0.12623%0.225CC..  trans-60.6150.6173.864.20000111.3E109 G272 L273 Q274 H323E109-S270 PolarHBondContact OE1-OG 3.5Å; E109-S270 WeakPolarHBondContact OE2-CA 3.47Å; E109-S270 WeakPolarHBondContact OE2-CB 3.34Å; E109-S270 PolarHBondContact OE2-N 3.04Å; E109-S270 PolarHBondContact OE2-OG 3.16Å; S270-G272 PolarHBondContact O-N 2.96Å; S270-G272 VanDerWaalsContact O-N 3.12Å; S270-L273 PolarHBondContact O-N 3.16Å; S270-L273 PolarHBondContact OG-N 2.95Å; S270-Q274 WeakPolarHBondContact O-CG 3.13Å; S270-Q274 PolarHBondContact O-N 3.44Å; S270-H323 WeakPolarHBondContact CB-ND1 3.48Å; S270-H323 WeakPolarHBondContact OG-CB 3.13Å; S270-H323 PolarHBondContact OG-ND1 3.34Å
271L94.3Very high96.9Very high104 Ų10438.7 Ų38.755%0.54521%0.211SC..Hα-helixtrans-55.3-33.6176.4-172.464.3000112.1Q274 S275L271-Q274 PolarHBondContact O-N 3.02Å; L271-S275 WeakPolarHBondContact O-CB 3.49Å; L271-S275 PolarHBondContact O-N 3.35Å
272G96.1Very high96.9Very high1 Ų133.7 Ų33.71%0.0119%0.194CC..Hα-helixtrans-54.8-56.2172.500000112S270 S275 H323S270-G272 PolarHBondContact O-N 2.96Å; S270-G272 VanDerWaalsContact O-N 3.12Å; G272-S275 PolarHBondContact O-N 3.19Å; G272-S275 PolarHBondContact O-OG 3.44Å; G272-H323 WeakPolarHBondContact CA-O 3.33Å
273L97.9Very high96.9Very high0 Ų032 Ų320%018%0.182CC..Hα-helixtrans-68.8-38.8179.1-175.857.4000112.5E109 F112 L113 L269 S270 S275 Q276 L277 I305 Y325E109-L273 HydrophobicContact CG-CD2 3.71Å; F112-L273 HydrophobicContact CD1-CD2 4.02Å; F112-L273 HydrophobicContact CE1-CD2 4.42Å; L113-L273 HydrophobicContact CD2-CD1 4.05Å; L113-L273 HydrophobicContact CD2-CD2 4.09Å; L113-L273 HydrophobicContact CG-CD2 4.28Å; L269-L273 HydrophobicContact CB-CD2 4.42Å; L269-L273 HydrophobicContact CD1-CD2 4.17Å; L269-L273 HydrophobicContact CD2-CD2 4.08Å; L269-L273 HydrophobicContact CG-CD2 4.45Å; S270-L273 PolarHBondContact O-N 3.16Å; S270-L273 PolarHBondContact OG-N 2.95Å; L273-S275 PolarHBondContact O-N 3.06Å; L273-Q276 PolarHBondContact O-N 3.09Å; L273-L277 WeakPolarHBondContact O-CB 3.47Å; L273-L277 PolarHBondContact O-N 2.83Å; L273-I305 HydrophobicContact CD1-CG2 3.79Å; L273-Y325 HydrophobicContact CB-CE2 3.79Å; L273-Y325 HydrophobicContact CD1-CE1 4.11Å
274Q97.8Very high96.8Very high33 Ų3331.7 Ų31.715%0.15418%0.18CC..Hα-helixtrans-56.8-40.6176.4-65.4-172.730.500111.5L263 L269 S270 L271 Q276 L277 V278L263-Q274 HydrophobicContact CD1-CB 4.25Å; L263-Q274 HydrophobicContact CD1-CG 3.81Å; L269-Q274 HydrophobicContact CB-CG 3.97Å; L269-Q274 PolarHBondContact O-NE2 3.21Å; S270-Q274 WeakPolarHBondContact O-CG 3.13Å; S270-Q274 PolarHBondContact O-N 3.44Å; L271-Q274 PolarHBondContact O-N 3.02Å; Q274-Q276 PolarHBondContact O-N 3.12Å; Q274-L277 PolarHBondContact O-N 2.95Å; Q274-V278 WeakPolarHBondContact O-CB 3.43Å; Q274-V278 VanDerWaalsContact O-CG2 3.28Å; Q274-V278 WeakPolarHBondContact O-CG2 3.32Å; Q274-V278 PolarHBondContact O-N 3.05Å
275S96.1Very high96.8Very high63 Ų6329.7 Ų29.744%0.44117%0.167SC..Hα-helixtrans-62.6-25.7178.777.50000113.8L271 G272 L273 P279L271-S275 WeakPolarHBondContact O-CB 3.49Å; L271-S275 PolarHBondContact O-N 3.35Å; G272-S275 PolarHBondContact O-N 3.19Å; G272-S275 PolarHBondContact O-OG 3.44Å; L273-S275 PolarHBondContact O-N 3.06Å; S275-P279 VanDerWaalsContact O-CD 3.31Å; S275-P279 WeakPolarHBondContact O-CD 3.28Å
276Q97.3Very high96.7Very high53 Ų5325.8 Ų25.825%0.24815%0.147CC..Hα-helixtrans-90-39.1177.1-51.2-58.3-71.600111.6L273 Q274 P279 I305L273-Q276 PolarHBondContact O-N 3.09Å; Q274-Q276 PolarHBondContact O-N 3.12Å; Q276-P279 WeakPolarHBondContact O-CD 3.2Å; Q276-I305 HydrophobicContact CB-CD1 3.56Å; Q276-I305 HydrophobicContact CB-CG1 3.74Å; Q276-I305 HydrophobicContact CG-CG1 4.45Å
277L98.2Very high96.2Very high2 Ų225.8 Ų25.81%0.0115%0.147CC..Hα-helixtrans-75.7-39-175.4179.863.3000113.4F112 A215 L263 L269 L273 Q274 I280 L281F112-L277 HydrophobicContact CE1-CD1 4.34Å; F112-L277 HydrophobicContact CE1-CD2 3.77Å; F112-L277 HydrophobicContact CE2-CD2 4.26Å; F112-L277 HydrophobicContact CZ-CD1 4Å; F112-L277 HydrophobicContact CZ-CD2 3.4Å; F112-L277 HydrophobicContact CZ-CG 4.36Å; A215-L277 HydrophobicContact CB-CD2 4.23Å; L263-L277 HydrophobicContact CD1-CD2 4.22Å; L269-L277 HydrophobicContact CD1-CD2 3.71Å; L273-L277 WeakPolarHBondContact O-CB 3.47Å; L273-L277 PolarHBondContact O-N 2.83Å; Q274-L277 PolarHBondContact O-N 2.95Å; L277-I280 WeakPolarHBondContact O-CB 3.4Å; L277-I280 PolarHBondContact O-N 2.84Å; L277-I280 VanDerWaalsContact O-N 3.13Å; L277-L281 HydrophobicContact CD1-CD1 4.45Å; L277-L281 HydrophobicContact CD1-CG 4.15Å; L277-L281 HydrophobicContact CD2-CD1 4.28Å; L277-L281 HydrophobicContact CG-CD1 3.92Å; L277-L281 HydrophobicContact CG-CG 4.09Å; L277-L281 PolarHBondContact O-N 3.3Å
278V98.3Very high95.7Very high27 Ų2730.1 Ų30.116%0.16417%0.166CC..Hα-helixtrans-58.8-45.7-176166.10000112.4I246 Y261 L263 Q274 I280 L281 A282I246-V278 HydrophobicContact CD1-CG1 4.4Å; I246-V278 HydrophobicContact CD1-CG2 4.11Å; Y261-V278 VanDerWaalsContact O-CG1 3.29Å; Y261-V278 WeakPolarHBondContact O-CG1 3.28Å; L263-V278 HydrophobicContact CD1-CG2 4.22Å; L263-V278 HydrophobicContact CG-CG2 4.06Å; Q274-V278 WeakPolarHBondContact O-CB 3.43Å; Q274-V278 VanDerWaalsContact O-CG2 3.28Å; Q274-V278 WeakPolarHBondContact O-CG2 3.32Å; Q274-V278 PolarHBondContact O-N 3.05Å; V278-I280 VanDerWaalsContact C-N 3.31Å; V278-I280 PolarHBondContact O-N 2.81Å; V278-L281 PolarHBondContact O-N 2.89Å; V278-A282 WeakPolarHBondContact O-CB 3.38Å; V278-A282 PolarHBondContact O-N 2.87Å
279P98.1Very high95Very high61 Ų6131.7 Ų31.740%0.39617%0.173SC..Hα-helixtrans-56.6-42.3173.2-27.135.3000113.3S275 Q276 A282 N283S275-P279 VanDerWaalsContact O-CD 3.31Å; S275-P279 WeakPolarHBondContact O-CD 3.28Å; Q276-P279 WeakPolarHBondContact O-CD 3.2Å; P279-A282 PolarHBondContact O-N 3.09Å; P279-N283 PolarHBondContact O-N 3.48Å; P279-N283 PolarHBondContact O-ND2 2.79Å
280I98.2Very high94.4Very high2 Ų236.4 Ų36.41%0.0121%0.213CC..Hα-helixtrans-61.4-51.6177.8-58.3-175000109.9L277 V278 A282 N283 I284 W293 F298 E301 T302 I305L277-I280 WeakPolarHBondContact O-CB 3.4Å; L277-I280 PolarHBondContact O-N 2.84Å; L277-I280 VanDerWaalsContact O-N 3.13Å; V278-I280 VanDerWaalsContact C-N 3.31Å; V278-I280 PolarHBondContact O-N 2.81Å; I280-A282 VanDerWaalsContact C-N 3.3Å; I280-A282 PolarHBondContact O-N 3.15Å; I280-N283 PolarHBondContact O-N 3.36Å; I280-I284 HydrophobicContact CG2-CD1 4.12Å; I280-I284 WeakPolarHBondContact O-CG1 3.4Å; I280-I284 PolarHBondContact O-N 3.12Å; I280-W293 HydrophobicContact CB-CZ3 4.15Å; I280-W293 HydrophobicContact CG1-CH2 4.12Å; I280-W293 HydrophobicContact CG1-CZ3 3.87Å; I280-W293 HydrophobicContact CG2-CZ3 4.17Å; I280-F298 HydrophobicContact CG2-CD2 4Å; I280-F298 HydrophobicContact CG2-CE2 4.06Å; I280-E301 HydrophobicContact CD1-CB 4.08Å; I280-E301 HydrophobicContact CG1-CB 4.29Å; I280-T302 HydrophobicContact CD1-CG2 3.84Å; I280-T302 HydrophobicContact CG2-CG2 4.37Å; I280-I305 HydrophobicContact CD1-CD1 3.41Å; I280-I305 VanDerWaalsContact CD1-CD1 3.41Å; I280-I305 HydrophobicContact CD1-CG1 4.46Å
281L98.3Very high94Very high0 Ų041.2 Ų41.20%023%0.232CC..Hα-helixtrans-56.9-44.1178.6-69176.3000111.9G208 L211 Y212 I246 L263 L277 V278 N283 L285G208-L281 WeakPolarHBondContact O-CD2 3.39Å; L211-L281 HydrophobicContact CB-CD2 3.98Å; Y212-L281 HydrophobicContact CD2-CD1 4.25Å; I246-L281 HydrophobicContact CB-CB 4.36Å; I246-L281 HydrophobicContact CD1-CD1 4.45Å; I246-L281 HydrophobicContact CG2-CB 3.87Å; L263-L281 HydrophobicContact CD2-CD1 4.27Å; L277-L281 HydrophobicContact CD1-CD1 4.45Å; L277-L281 HydrophobicContact CD1-CG 4.15Å; L277-L281 HydrophobicContact CD2-CD1 4.28Å; L277-L281 HydrophobicContact CG-CD1 3.92Å; L277-L281 HydrophobicContact CG-CG 4.09Å; L277-L281 PolarHBondContact O-N 3.3Å; V278-L281 PolarHBondContact O-N 2.89Å; L281-N283 VanDerWaalsContact C-N 3.27Å; L281-N283 PolarHBondContact O-N 3.3Å; L281-L285 WeakPolarHBondContact O-CB 3.13Å; L281-L285 WeakPolarHBondContact O-CG 3.44Å; L281-L285 PolarHBondContact O-N 2.89Å
282A97.6Very high93.9Very high14 Ų1437.2 Ų37.212%0.11621%0.212CC..Hα-helixtrans-60.9-35-179.600000113.2I246 V278 P279 I280I246-A282 HydrophobicContact CG2-CB 3.9Å; V278-A282 WeakPolarHBondContact O-CB 3.38Å; V278-A282 PolarHBondContact O-N 2.87Å; P279-A282 PolarHBondContact O-N 3.09Å; I280-A282 VanDerWaalsContact C-N 3.3Å; I280-A282 PolarHBondContact O-N 3.15Å
283N97.2Very high93.8Very high52 Ų5238.4 Ų38.428%0.27822%0.216SC..Hα-helixtrans-91.1-23.7-176.4-73.6-79.8000114.3P279 I280 L281 W293P279-N283 PolarHBondContact O-N 3.48Å; P279-N283 PolarHBondContact O-ND2 2.79Å; I280-N283 PolarHBondContact O-N 3.36Å; L281-N283 VanDerWaalsContact C-N 3.27Å; L281-N283 PolarHBondContact O-N 3.3Å; N283-W293 HydrophobicContact CB-CB 4.45Å; N283-W293 HydrophobicContact CB-CD2 3.42Å; N283-W293 VanDerWaalsContact CB-CD2 3.42Å; N283-W293 HydrophobicContact CB-CE3 4.1Å; N283-W293 HydrophobicContact CB-CG 3.57Å; N283-W293 HydrophobicContact CB-CH2 4.49Å; N283-W293 HydrophobicContact CB-CZ2 3.88Å; N283-W293 VanDerWaalsContact CB-NE1 3.32Å; N283-W293 WeakPolarHBondContact ND2-CZ2 3.41Å; N283-W293 PolarHBondContact O-N 3.46Å; N283-W293 PolarHBondContact OD1-NE1 3.12Å
284I95.9Very high93.5Very high1 Ų140.1 Ų40.11%0.00523%0.234CC..Hα-helixtrans-93.4-21.6174.770.6-177.2000113L204 I280 E286 W293 F298L204-I284 HydrophobicContact CB-CB 4.19Å; L204-I284 HydrophobicContact CB-CG2 4.42Å; I280-I284 HydrophobicContact CG2-CD1 4.12Å; I280-I284 WeakPolarHBondContact O-CG1 3.4Å; I280-I284 PolarHBondContact O-N 3.12Å; I284-E286 PolarHBondContact O-N 3.49Å; I284-W293 HydrophobicContact CG2-CB 4.41Å; I284-W293 HydrophobicContact CG2-CE3 4.33Å; I284-F298 HydrophobicContact CD1-CD2 4.29Å; I284-F298 HydrophobicContact CD1-CE2 4Å; I284-F298 HydrophobicContact CG2-CD2 3.9Å
285L95.6Very high93.3Very high0 Ų039.3 Ų39.30%023%0.23CC..SBendtrans-88.947.6165.6-61.3174.4000109.9W205 V209 F221 K241 L281W205-L285 HydrophobicContact CD2-CD2 4.06Å; W205-L285 HydrophobicContact CE3-CB 4.49Å; W205-L285 HydrophobicContact CE3-CD2 4.17Å; W205-L285 HydrophobicContact CG-CD2 4.47Å; W205-L285 HydrophobicContact CZ3-CB 4.35Å; V209-L285 HydrophobicContact CG2-CD2 3.85Å; F221-L285 HydrophobicContact CE2-CD2 4.44Å; K241-L285 WeakPolarHBondContact CE-O 3.43Å; K241-L285 PolarHBondContact NZ-O 2.8Å; L281-L285 WeakPolarHBondContact O-CB 3.13Å; L281-L285 WeakPolarHBondContact O-CG 3.44Å; L281-L285 PolarHBondContact O-N 2.89Å
286E92.4Very high93.2Very high20 Ų2041.6 Ų41.69%0.09324%0.238CC..  trans-110131.3177.1-177.348.9-104.500109.8I284 E288 K291 C292I284-E286 PolarHBondContact O-N 3.49Å; E286-E288 PolarHBondContact OE1-N 2.9Å; E286-K291 HydrophobicContact CG-CB 3.77Å; E286-C292 HydrophobicContact CB-CB 4Å; E286-C292 HydrophobicContact CG-CB 4.3Å
287V85.9Confident93.1Very high24 Ų2443.2 Ų43.215%0.14525%0.245CC..SBendtrans-84.9-36.7-174.6-170.90000110.1P182 W205 T238 Q289P182-V287 HydrophobicContact CB-CG1 4.4Å; P182-V287 HydrophobicContact CG-CG1 4.33Å; P182-V287 HydrophobicContact CG-CG2 4.31Å; W205-V287 HydrophobicContact CH2-CG2 4.3Å; W205-V287 HydrophobicContact CZ3-CG2 4.02Å; T238-V287 WeakPolarHBondContact O-CG2 3.11Å; V287-Q289 PolarHBondContact O-N 2.71Å
288E84.9Confident93Very high105 Ų10543.1 Ų43.149%0.49124%0.244SC..SBendtrans-75.4105.5174.8-78.6-177.6-155.100110.1E286 A290 K291 C292E286-E288 PolarHBondContact OE1-N 2.9Å; E288-A290 PolarHBondContact O-N 2.91Å; E288-K291 HydrophobicContact CB-CB 4.35Å; E288-K291 HydrophobicContact CB-CD 4.24Å; E288-K291 HydrophobicContact CB-CG 4.4Å; E288-K291 PolarHBondContact O-N 3.2Å; E288-K291 IonicContact OE1-NZ 3.31Å; E288-K291 PolarHBondContact OE1-NZ 3.3Å; E288-K291 VanDerWaalsContact OE2-CD 3.27Å; E288-K291 WeakPolarHBondContact OE2-CD 3.41Å; E288-K291 WeakPolarHBondContact OE2-CE 3.05Å; E288-K291 IonicContact OE2-NZ 3.1Å; E288-K291 PolarHBondContact OE2-NZ 3.26Å; E288-C292 PolarHBondContact O-N 2.91Å
289Q80.1Confident93Very high80 Ų8042.6 Ų42.637%0.37424%0.24SC..THydrogen-bonded Turntrans-51.6-31.9-179-69.3-177.6-5.700114V287 K291V287-Q289 PolarHBondContact O-N 2.71Å; Q289-K291 VanDerWaalsContact C-N 3.29Å; Q289-K291 PolarHBondContact O-N 3.19Å
290A85.4Confident93Very high105 Ų10542.5 Ų42.587%0.86825%0.245SC*.THydrogen-bonded Turntrans-71.5-20.3178.400000114.1E288E288-A290 PolarHBondContact O-N 2.91Å
291K88.9Confident93Very high119 Ų11946.2 Ų46.252%0.51726%0.262SS..THydrogen-bonded Turntrans-102.9-17.6177.6-66.9176.7-179153.50112.6E286 E288 Q289E286-K291 HydrophobicContact CG-CB 3.77Å; E288-K291 HydrophobicContact CB-CB 4.35Å; E288-K291 HydrophobicContact CB-CD 4.24Å; E288-K291 HydrophobicContact CB-CG 4.4Å; E288-K291 PolarHBondContact O-N 3.2Å; E288-K291 IonicContact OE1-NZ 3.31Å; E288-K291 PolarHBondContact OE1-NZ 3.3Å; E288-K291 VanDerWaalsContact OE2-CD 3.27Å; E288-K291 WeakPolarHBondContact OE2-CD 3.41Å; E288-K291 WeakPolarHBondContact OE2-CE 3.05Å; E288-K291 IonicContact OE2-NZ 3.1Å; E288-K291 PolarHBondContact OE2-NZ 3.26Å; Q289-K291 VanDerWaalsContact C-N 3.29Å; Q289-K291 PolarHBondContact O-N 3.19Å
292C91.2Very high92.9Very high19 Ų1946.2 Ų46.213%0.12826%0.262CS..SBendtrans-67.8142.8177.4-1710000110.8E286 E288E286-C292 HydrophobicContact CB-CB 4Å; E286-C292 HydrophobicContact CG-CB 4.3Å; E288-C292 PolarHBondContact O-N 2.91Å
293W94.3Very high92.9Very high26 Ų2647.7 Ų47.710%0.09827%0.271CS..PPolyproline II helixtrans-64.4146.3172.7-76.40.4000111.9L204 I280 N283 I284 Q297 E301L204-W293 WeakPolarHBondContact CD1-O 3.33Å; I280-W293 HydrophobicContact CB-CZ3 4.15Å; I280-W293 HydrophobicContact CG1-CH2 4.12Å; I280-W293 HydrophobicContact CG1-CZ3 3.87Å; I280-W293 HydrophobicContact CG2-CZ3 4.17Å; N283-W293 HydrophobicContact CB-CB 4.45Å; N283-W293 HydrophobicContact CB-CD2 3.42Å; N283-W293 VanDerWaalsContact CB-CD2 3.42Å; N283-W293 HydrophobicContact CB-CE3 4.1Å; N283-W293 HydrophobicContact CB-CG 3.57Å; N283-W293 HydrophobicContact CB-CH2 4.49Å; N283-W293 HydrophobicContact CB-CZ2 3.88Å; N283-W293 VanDerWaalsContact CB-NE1 3.32Å; N283-W293 WeakPolarHBondContact ND2-CZ2 3.41Å; N283-W293 PolarHBondContact O-N 3.46Å; N283-W293 PolarHBondContact OD1-NE1 3.12Å; I284-W293 HydrophobicContact CG2-CB 4.41Å; I284-W293 HydrophobicContact CG2-CE3 4.33Å; W293-Q297 HydrophobicContact CB-CB 4.44Å; W293-Q297 VanDerWaalsContact CD1-OE1 3.23Å; W293-Q297 HydrophobicContact CD2-CB 4.44Å; W293-Q297 HydrophobicContact CD2-CG 3.74Å; W293-Q297 HydrophobicContact CE3-CG 4.05Å; W293-Q297 HydrophobicContact CG-CB 4.35Å; W293-Q297 HydrophobicContact CG-CG 4Å; W293-Q297 HydrophobicContact CZ2-CG 4.45Å; W293-E301 HydrophobicContact CE3-CG 4.48Å; W293-E301 HydrophobicContact CH2-CB 4Å; W293-E301 HydrophobicContact CH2-CG 3.57Å; W293-E301 HydrophobicContact CZ2-CG 4.39Å; W293-E301 HydrophobicContact CZ3-CB 3.72Å; W293-E301 HydrophobicContact CZ3-CG 3.62Å
294G92.3Very high92.9Very high37 Ų3747.2 Ų47.238%0.38127%0.269SS..PPolyproline II helixtrans-80.5170.6163.500000112D296 Q297 F298G294-D296 PolarHBondContact O-N 3.06Å; G294-Q297 PolarHBondContact O-N 3.47Å; G294-F298 PolarHBondContact O-N 3Å; G294-F298 VanDerWaalsContact O-N 3.08Å
295F92.3Very high93Very high15 Ų1547.4 Ų47.47%0.06627%0.27CS..Hα-helixtrans-61.3-39.3179.2-81.9-77.8000113.5M123 V200 D203 L204 Q297 F298 F299M123-F295 HydrophobicContact CE-CE1 3.92Å; M123-F295 HydrophobicContact CE-CZ 4.34Å; V200-F295 HydrophobicContact CB-CE2 3.88Å; V200-F295 HydrophobicContact CG2-CD2 4.04Å; V200-F295 HydrophobicContact CG2-CE2 3.76Å; V200-F295 WeakPolarHBondContact O-CE2 3.34Å; D203-F295 HydrophobicContact CB-CZ 4.2Å; L204-F295 HydrophobicContact CD2-CD1 3.7Å; L204-F295 HydrophobicContact CD2-CE1 3.55Å; L204-F295 HydrophobicContact CD2-CG 4.41Å; L204-F295 HydrophobicContact CD2-CZ 4.15Å; L204-F295 HydrophobicContact CG-CD1 4.26Å; L204-F295 HydrophobicContact CG-CE1 3.92Å; L204-F295 HydrophobicContact CG-CE2 4.37Å; L204-F295 HydrophobicContact CG-CZ 3.98Å; F295-Q297 VanDerWaalsContact C-N 3.34Å; F295-Q297 PolarHBondContact O-N 3.49Å; F295-F298 PolarHBondContact O-N 3.14Å; F295-F299 HydrophobicContact CB-CD2 4.15Å; F295-F299 HydrophobicContact CB-CE2 3.82Å; F295-F299 AromaticContact CD1-CE2 3.82Å; F295-F299 HydrophobicContact CD1-CE2 3.82Å; F295-F299 AromaticContact CD1-CZ 3.75Å; F295-F299 HydrophobicContact CD1-CZ 3.75Å; F295-F299 HydrophobicContact CE1-CZ 4.48Å; F295-F299 HydrophobicContact CG-CE2 4.23Å; F295-F299 WeakPolarHBondContact O-CB 3.37Å; F295-F299 WeakPolarHBondContact O-CD2 3.48Å; F295-F299 VanDerWaalsContact O-CG 3.31Å; F295-F299 WeakPolarHBondContact O-CG 3.48Å; F295-F299 PolarHBondContact O-N 3.42Å
296D94.4Very high93.1Very high112 Ų11249 Ų4960%0.59928%0.278SS*.Hα-helixtrans-58.8-46.5179.8-66.6-51.2000111.9R127 G294 F299 A300R127-D296 IonicContact CZ-OD1 2.97Å; R127-D296 IonicContact CZ-OD2 3.75Å; R127-D296 VanDerWaalsContact NH1-CG 3.32Å; R127-D296 IonicContact NH1-OD1 3.38Å; R127-D296 PolarHBondContact NH1-OD1 2.99Å; R127-D296 IonicContact NH1-OD2 3.83Å; R127-D296 VanDerWaalsContact NH2-CG 3.27Å; R127-D296 IonicContact NH2-OD1 2.71Å; R127-D296 PolarHBondContact NH2-OD1 3.43Å; R127-D296 VanDerWaalsContact NH2-OD1 3.15Å; R127-D296 IonicContact NH2-OD2 3.96Å; R127-D296 PolarHBondContact NH2-OD2 3.42Å; G294-D296 PolarHBondContact O-N 3.06Å; D296-F299 PolarHBondContact O-N 3.2Å; D296-A300 WeakPolarHBondContact O-CB 3.44Å; D296-A300 PolarHBondContact O-N 2.99Å
297Q95.9Very high93.4Very high86 Ų8654.5 Ų54.540%0.40230%0.303SS..Hα-helixtrans-66.8-44.3177.6-172.7167.510.600111.2W293 G294 F295 F299 A300 E301W293-Q297 HydrophobicContact CB-CB 4.44Å; W293-Q297 VanDerWaalsContact CD1-OE1 3.23Å; W293-Q297 HydrophobicContact CD2-CB 4.44Å; W293-Q297 HydrophobicContact CD2-CG 3.74Å; W293-Q297 HydrophobicContact CE3-CG 4.05Å; W293-Q297 HydrophobicContact CG-CB 4.35Å; W293-Q297 HydrophobicContact CG-CG 4Å; W293-Q297 HydrophobicContact CZ2-CG 4.45Å; G294-Q297 PolarHBondContact O-N 3.47Å; F295-Q297 VanDerWaalsContact C-N 3.34Å; F295-Q297 PolarHBondContact O-N 3.49Å; Q297-F299 VanDerWaalsContact C-N 3.34Å; Q297-F299 PolarHBondContact O-N 3.31Å; Q297-A300 PolarHBondContact O-N 3.41Å; Q297-E301 HydrophobicContact CG-CG 4.17Å; Q297-E301 WeakPolarHBondContact O-CB 3.09Å; Q297-E301 WeakPolarHBondContact O-CG 3.42Å; Q297-E301 PolarHBondContact O-N 2.97Å
298F96.8Very high93.9Very high0 Ų056.1 Ų56.10%031%0.307CS..Hα-helixtrans-56.9-45.3175.1170.2-103.2000112.4V120 L204 I207 I280 I284 G294 F295 T302V120-F298 HydrophobicContact CG2-CE1 4.13Å; V120-F298 HydrophobicContact CG2-CZ 3.99Å; L204-F298 HydrophobicContact CD2-CB 4.01Å; L204-F298 HydrophobicContact CD2-CD1 3.75Å; L204-F298 HydrophobicContact CD2-CD2 4.26Å; L204-F298 HydrophobicContact CD2-CE1 4.3Å; L204-F298 HydrophobicContact CD2-CG 3.72Å; I207-F298 HydrophobicContact CG2-CE2 4.28Å; I207-F298 HydrophobicContact CG2-CZ 3.86Å; I280-F298 HydrophobicContact CG2-CD2 4Å; I280-F298 HydrophobicContact CG2-CE2 4.06Å; I284-F298 HydrophobicContact CD1-CD2 4.29Å; I284-F298 HydrophobicContact CD1-CE2 4Å; I284-F298 HydrophobicContact CG2-CD2 3.9Å; G294-F298 PolarHBondContact O-N 3Å; G294-F298 VanDerWaalsContact O-N 3.08Å; F295-F298 PolarHBondContact O-N 3.14Å; F298-T302 HydrophobicContact CD2-CG2 4.01Å; F298-T302 HydrophobicContact CE2-CG2 3.58Å; F298-T302 HydrophobicContact CZ-CG2 3.86Å; F298-T302 WeakPolarHBondContact O-CB 3.48Å; F298-T302 WeakPolarHBondContact O-CG2 3.41Å; F298-T302 PolarHBondContact O-N 3.27Å; F298-T302 PolarHBondContact O-OG1 3.38Å
299F97.2Very high94.4Very high17 Ų1754.1 Ų54.18%0.07530%0.302CS..Hα-helixtrans-69-39.7178.8-67.4-43.9000112.7V120 M123 N124 R127 F295 D296 Q297 T302 S303V120-F299 HydrophobicContact CG1-CD1 3.92Å; V120-F299 HydrophobicContact CG1-CE1 4.34Å; M123-F299 HydrophobicContact CB-CE1 4.01Å; M123-F299 HydrophobicContact CB-CZ 4.11Å; N124-F299 HydrophobicContact CB-CD1 4.4Å; N124-F299 HydrophobicContact CB-CE1 3.98Å; N124-F299 HydrophobicContact CB-CE2 4.32Å; N124-F299 HydrophobicContact CB-CZ 3.94Å; R127-F299 HydrophobicContact CB-CE2 4.46Å; F295-F299 HydrophobicContact CB-CD2 4.15Å; F295-F299 HydrophobicContact CB-CE2 3.82Å; F295-F299 AromaticContact CD1-CE2 3.82Å; F295-F299 HydrophobicContact CD1-CE2 3.82Å; F295-F299 AromaticContact CD1-CZ 3.75Å; F295-F299 HydrophobicContact CD1-CZ 3.75Å; F295-F299 HydrophobicContact CE1-CZ 4.48Å; F295-F299 HydrophobicContact CG-CE2 4.23Å; F295-F299 WeakPolarHBondContact O-CB 3.37Å; F295-F299 WeakPolarHBondContact O-CD2 3.48Å; F295-F299 VanDerWaalsContact O-CG 3.31Å; F295-F299 WeakPolarHBondContact O-CG 3.48Å; F295-F299 PolarHBondContact O-N 3.42Å; D296-F299 PolarHBondContact O-N 3.2Å; Q297-F299 VanDerWaalsContact C-N 3.34Å; Q297-F299 PolarHBondContact O-N 3.31Å; F299-T302 PolarHBondContact O-OG1 2.94Å; F299-S303 WeakPolarHBondContact O-CB 3.09Å; F299-S303 PolarHBondContact O-N 3.23Å; F299-S303 PolarHBondContact O-OG 3.28Å
300A97.6Very high95.2Very high59 Ų5952.4 Ų52.449%0.48830%0.297SS..Hα-helixtrans-60.9-49.5175.600000111.3D296 Q297 S303 D304D296-A300 WeakPolarHBondContact O-CB 3.44Å; D296-A300 PolarHBondContact O-N 2.99Å; Q297-A300 PolarHBondContact O-N 3.41Å; A300-S303 PolarHBondContact O-N 2.78Å; A300-D304 WeakPolarHBondContact O-CB 3.4Å; A300-D304 PolarHBondContact O-N 3.21Å
301E98.1Very high95.8Very high80 Ų8047.8 Ų47.837%0.37426%0.258SS..Hα-helixtrans-70.1-39-176.2-65.5-73.7161.900112.2I280 W293 Q297 D304 I305I280-E301 HydrophobicContact CD1-CB 4.08Å; I280-E301 HydrophobicContact CG1-CB 4.29Å; W293-E301 HydrophobicContact CE3-CG 4.48Å; W293-E301 HydrophobicContact CH2-CB 4Å; W293-E301 HydrophobicContact CH2-CG 3.57Å; W293-E301 HydrophobicContact CZ2-CG 4.39Å; W293-E301 HydrophobicContact CZ3-CB 3.72Å; W293-E301 HydrophobicContact CZ3-CG 3.62Å; Q297-E301 HydrophobicContact CG-CG 4.17Å; Q297-E301 WeakPolarHBondContact O-CB 3.09Å; Q297-E301 WeakPolarHBondContact O-CG 3.42Å; Q297-E301 PolarHBondContact O-N 2.97Å; E301-D304 PolarHBondContact O-N 3.46Å; E301-I305 WeakPolarHBondContact O-CG1 3.33Å; E301-I305 PolarHBondContact O-N 2.89Å
302T97.8Very high96.3Very high0 Ų043.6 Ų43.60%024%0.24CC..Hα-helixtrans-70.6-36.6174.351.70000112.5L116 V120 I280 F298 F299 I305 L306L116-T302 HydrophobicContact CD1-CG2 4.02Å; V120-T302 HydrophobicContact CG2-CG2 4.05Å; I280-T302 HydrophobicContact CD1-CG2 3.84Å; I280-T302 HydrophobicContact CG2-CG2 4.37Å; F298-T302 HydrophobicContact CD2-CG2 4.01Å; F298-T302 HydrophobicContact CE2-CG2 3.58Å; F298-T302 HydrophobicContact CZ-CG2 3.86Å; F298-T302 WeakPolarHBondContact O-CB 3.48Å; F298-T302 WeakPolarHBondContact O-CG2 3.41Å; F298-T302 PolarHBondContact O-N 3.27Å; F298-T302 PolarHBondContact O-OG1 3.38Å; F299-T302 PolarHBondContact O-OG1 2.94Å; T302-I305 PolarHBondContact O-N 2.88Å; T302-L306 VanDerWaalsContact O-CG 3.28Å; T302-L306 WeakPolarHBondContact O-CG 3.41Å; T302-L306 PolarHBondContact O-N 2.95Å; T302-L306 VanDerWaalsContact O-N 3.14Å
303S97.1Very high96.6Very high44 Ų4442.7 Ų42.731%0.30823%0.234SC..Hα-helixtrans-66.2-38174.5-61.90000111.8F299 A300 I305 L306 Q307F299-S303 WeakPolarHBondContact O-CB 3.09Å; F299-S303 PolarHBondContact O-N 3.23Å; F299-S303 PolarHBondContact O-OG 3.28Å; A300-S303 PolarHBondContact O-N 2.78Å; S303-I305 VanDerWaalsContact C-N 3.34Å; S303-I305 PolarHBondContact O-N 3.46Å; S303-L306 PolarHBondContact O-N 2.87Å; S303-L306 VanDerWaalsContact O-N 3.17Å; S303-Q307 WeakPolarHBondContact O-CB 3.31Å; S303-Q307 VanDerWaalsContact O-CG 3.26Å; S303-Q307 WeakPolarHBondContact O-CG 3.46Å; S303-Q307 PolarHBondContact O-N 3.07Å
304D97.8Very high96.8Very high43 Ų4341.6 Ų41.623%0.2323%0.229CC..Hα-helixtrans-56.6-47.1174-179.783.7000111.2A300 E301 L306 Q307 R308 H327A300-D304 WeakPolarHBondContact O-CB 3.4Å; A300-D304 PolarHBondContact O-N 3.21Å; E301-D304 PolarHBondContact O-N 3.46Å; D304-L306 VanDerWaalsContact C-N 3.35Å; D304-L306 PolarHBondContact O-N 3.42Å; D304-Q307 PolarHBondContact O-N 3.35Å; D304-R308 WeakPolarHBondContact O-CG 3.41Å; D304-R308 PolarHBondContact O-N 2.97Å; D304-R308 IonicContact OD1-NH2 3.7Å; D304-R308 IonicContact OD2-CZ 2.69Å; D304-R308 IonicContact OD2-NE 2.7Å; D304-R308 PolarHBondContact OD2-NE 3.06Å; D304-R308 IonicContact OD2-NH2 2.62Å; D304-R308 PolarHBondContact OD2-NH2 3.24Å; D304-H327 IonicContact OD1-CD2 3.5Å; D304-H327 IonicContact OD1-CE1 2.64Å; D304-H327 PolarHBondContact OD1-CE1 3.43Å; D304-H327 IonicContact OD1-NE2 3.05Å; D304-H327 PolarHBondContact OD1-NE2 2.88Å; D304-H327 IonicContact OD2-NE2 2.67Å
305I97.9Very high97Very high5 Ų539.8 Ų39.83%0.02621%0.211CC..Hα-helixtrans-58.5-46.9175.1-64.4177000111.2L113 L116 L273 Q276 I280 E301 T302 S303 Q307 R308L113-I305 HydrophobicContact CD2-CG2 4.29Å; L116-I305 HydrophobicContact CD2-CG2 4.32Å; L273-I305 HydrophobicContact CD1-CG2 3.79Å; Q276-I305 HydrophobicContact CB-CD1 3.56Å; Q276-I305 HydrophobicContact CB-CG1 3.74Å; Q276-I305 HydrophobicContact CG-CG1 4.45Å; I280-I305 HydrophobicContact CD1-CD1 3.41Å; I280-I305 VanDerWaalsContact CD1-CD1 3.41Å; I280-I305 HydrophobicContact CD1-CG1 4.46Å; E301-I305 WeakPolarHBondContact O-CG1 3.33Å; E301-I305 PolarHBondContact O-N 2.89Å; T302-I305 PolarHBondContact O-N 2.88Å; S303-I305 VanDerWaalsContact C-N 3.34Å; S303-I305 PolarHBondContact O-N 3.46Å; I305-Q307 VanDerWaalsContact C-N 3.26Å; I305-Q307 PolarHBondContact O-N 3.17Å; I305-R308 PolarHBondContact O-N 3.47Å
306L97.4Very high97.2Very high32 Ų3239.1 Ų39.117%0.16821%0.208CC..Hα-helixtrans-72-17.1-174.1-68.7170.6000114.1L113 L116 R117 T302 S303 D304L113-L306 HydrophobicContact CD2-CD2 4.43Å; L116-L306 HydrophobicContact CD2-CD2 4.1Å; L116-L306 HydrophobicContact CD2-CG 4.28Å; L116-L306 HydrophobicContact CG-CD1 4.47Å; L116-L306 HydrophobicContact CG-CD2 4.32Å; R117-L306 HydrophobicContact CB-CD1 4.1Å; R117-L306 HydrophobicContact CB-CD2 3.94Å; R117-L306 HydrophobicContact CG-CD1 4.28Å; T302-L306 VanDerWaalsContact O-CG 3.28Å; T302-L306 WeakPolarHBondContact O-CG 3.41Å; T302-L306 PolarHBondContact O-N 2.95Å; T302-L306 VanDerWaalsContact O-N 3.14Å; S303-L306 PolarHBondContact O-N 2.87Å; S303-L306 VanDerWaalsContact O-N 3.17Å; D304-L306 VanDerWaalsContact C-N 3.35Å; D304-L306 PolarHBondContact O-N 3.42Å
307Q97.1Very high97Very high136 Ų13633.8 Ų33.864%0.63618%0.18SC*.Hα-helixtrans-92.1-13.6177.4-73.2174.5500113.4S303 D304 I305S303-Q307 WeakPolarHBondContact O-CB 3.31Å; S303-Q307 VanDerWaalsContact O-CG 3.26Å; S303-Q307 WeakPolarHBondContact O-CG 3.46Å; S303-Q307 PolarHBondContact O-N 3.07Å; D304-Q307 PolarHBondContact O-N 3.35Å; I305-Q307 VanDerWaalsContact C-N 3.26Å; I305-Q307 PolarHBondContact O-N 3.17Å
308R97.1Very high96.9Very high58 Ų5830.2 Ų30.222%0.21916%0.163CC..PPolyproline II helixtrans-72.4142.6177.6-71.4167.1-175.1-91-4.9111.2D304 I305 Y325 I326D304-R308 WeakPolarHBondContact O-CG 3.41Å; D304-R308 PolarHBondContact O-N 2.97Å; D304-R308 IonicContact OD1-NH2 3.7Å; D304-R308 IonicContact OD2-CZ 2.69Å; D304-R308 IonicContact OD2-NE 2.7Å; D304-R308 PolarHBondContact OD2-NE 3.06Å; D304-R308 IonicContact OD2-NH2 2.62Å; D304-R308 PolarHBondContact OD2-NH2 3.24Å; I305-R308 PolarHBondContact O-N 3.47Å; R308-Y325 HydrophobicContact CB-CD1 4.18Å; R308-Y325 PolarHBondContact NH1-O 2.79Å; R308-Y325 VanDerWaalsContact NH1-O 3.16Å; R308-I326 CarbonylContact C-O 3.49Å; R308-I326 WeakPolarHBondContact CA-O 3.35Å
309V96.1Very high96.8Very high64 Ų6430.4 Ų30.439%0.38817%0.165SC..EExtended strand (participates in β ladder)trans-86.4151.8165.1-61.50000109.7I326V309-I326 HydrophobicContact CG2-CG2 3.99Å; V309-I326 VanDerWaalsContact CG2-O 3.25Å; V309-I326 WeakPolarHBondContact CG2-O 3.25Å; V309-I326 PolarHBondContact N-O 2.86Å; V309-I326 PolarHBondContact O-N 3.16Å
310V97.2Very high96.7Very high44 Ų4431.1 Ų31.127%0.26717%0.17SC..EExtended strand (participates in β ladder)trans-102.8121.5176.7-176.70000109.3H323 Y325V310-H323 HydrophobicContact CG1-CB 3.86Å; V310-Y325 HydrophobicContact CG1-CE2 4.47Å; V310-Y325 HydrophobicContact CG2-CD1 3.97Å; V310-Y325 HydrophobicContact CG2-CD2 4.29Å; V310-Y325 HydrophobicContact CG2-CE1 3.6Å; V310-Y325 HydrophobicContact CG2-CE2 3.93Å; V310-Y325 HydrophobicContact CG2-CG 4.3Å
311I97.9Very high96.6Very high8 Ų830.9 Ų30.94%0.04116%0.161CC..EExtended strand (participates in β ladder)trans-106.1122.5171.8-56.6179.8000108.4V313 V324 I326 F335 I370 T373 L379I311-V313 HydrophobicContact CG2-CG2 4.28Å; I311-V324 HydrophobicContact CB-CB 4.47Å; I311-V324 PolarHBondContact N-O 3.1Å; I311-V324 WeakPolarHBondContact O-CB 3.21Å; I311-V324 PolarHBondContact O-N 3.43Å; I311-I326 HydrophobicContact CD1-CG2 3.74Å; I311-I326 HydrophobicContact CG1-CG2 4.14Å; I311-F335 HydrophobicContact CB-CE2 3.94Å; I311-F335 HydrophobicContact CD1-CD2 3.97Å; I311-F335 HydrophobicContact CD1-CE2 4.01Å; I311-F335 HydrophobicContact CG2-CE2 3.67Å; I311-F335 HydrophobicContact CG2-CZ 4.02Å; I311-I370 HydrophobicContact CD1-CB 4.14Å; I311-I370 HydrophobicContact CD1-CD1 3.5Å; I311-I370 HydrophobicContact CD1-CG1 4.4Å; I311-I370 HydrophobicContact CD1-CG2 4.12Å; I311-I370 HydrophobicContact CG2-CG2 4.2Å; I311-T373 HydrophobicContact CG2-CG2 4.27Å; I311-L379 HydrophobicContact CG2-CD1 3.85Å
312H98.4Very high96.6Very high30 Ų3027.8 Ų27.814%0.13915%0.146CC..EExtended strand (participates in β ladder)trans-86.7121.7-179.2-55.582.4000109.5L321 H322 H323 T373 T374 A375 P378 L379H312-L321 HydrophobicContact CB-CD1 4.39Å; H312-H322 WeakPolarHBondContact CA-O 3.32Å; H312-H323 AromaticContact CD2-CD2 3.93Å; H312-H323 AromaticContact CD2-NE2 3.96Å; H312-T373 PolarHBondContact N-OG1 2.76Å; H312-T373 PolarHBondContact ND1-O 3.25Å; H312-T373 VanDerWaalsContact ND1-O 3.12Å; H312-T373 PolarHBondContact ND1-OG1 3.39Å; H312-T374 WeakPolarHBondContact CB-O 3.18Å; H312-T374 WeakPolarHBondContact ND1-CA 3.41Å; H312-A375 PolarHBondContact CD2-N 3.31Å; H312-P378 HydrophobicContact CB-CB 3.91Å; H312-P378 WeakPolarHBondContact O-CA 3.38Å; H312-P378 WeakPolarHBondContact O-CB 3.48Å; H312-L379 PolarHBondContact O-N 3.39Å
313V98Very high96.6Very high1 Ų129.7 Ų29.71%0.00616%0.155CC..EExtended strand (participates in β ladder)trans-124116.5-179.1-179.30000109.4I311 H322 V324 F335 V339 Y352 L379 L381I311-V313 HydrophobicContact CG2-CG2 4.28Å; V313-H322 HydrophobicContact CB-CB 4.46Å; V313-H322 PolarHBondContact N-O 3.34Å; V313-H322 WeakPolarHBondContact O-CB 3.48Å; V313-H322 PolarHBondContact O-N 2.71Å; V313-V324 HydrophobicContact CB-CG2 4.45Å; V313-V324 HydrophobicContact CG2-CG2 3.94Å; V313-F335 HydrophobicContact CG2-CE2 4Å; V313-F335 HydrophobicContact CG2-CZ 3.69Å; V313-V339 HydrophobicContact CG2-CG2 4.18Å; V313-Y352 HydrophobicContact CG1-CE1 4.06Å; V313-L379 CarbonylContact C-O 3.6Å; V313-L379 VanDerWaalsContact CA-O 3.31Å; V313-L379 WeakPolarHBondContact CA-O 3.15Å; V313-L379 HydrophobicContact CG2-CB 4.35Å; V313-L381 HydrophobicContact CG1-CB 3.85Å; V313-L381 HydrophobicContact CG1-CD2 4.49Å
314F97.8Very high96.6Very high2 Ų227.6 Ų27.61%0.00914%0.14CC..EExtended strand (participates in β ladder)trans-94.3112173.1-175.9-108.3000110.1L316 L321 P378 L379 T380 L381 L438 M439F314-L316 HydrophobicContact CD1-CD1 4.39Å; F314-L316 HydrophobicContact CE1-CD1 3.83Å; F314-L316 PolarHBondContact O-N 3.46Å; F314-L316 VanDerWaalsContact O-N 3.11Å; F314-L321 HydrophobicContact CB-CD1 4.12Å; F314-L321 HydrophobicContact CD2-CB 4.15Å; F314-L321 HydrophobicContact CD2-CD1 4.49Å; F314-P378 HydrophobicContact CB-CB 4.04Å; F314-P378 HydrophobicContact CB-CG 3.59Å; F314-L379 PolarHBondContact N-O 3.08Å; F314-T380 CarbonylContact O-C 3.21Å; F314-T380 WeakPolarHBondContact O-CA 3.27Å; F314-L381 PolarHBondContact O-N 3.26Å; F314-L438 HydrophobicContact CD1-CB 3.95Å; F314-L438 HydrophobicContact CD2-CB 4Å; F314-L438 HydrophobicContact CD2-CD1 3.69Å; F314-L438 HydrophobicContact CD2-CG 4.48Å; F314-L438 HydrophobicContact CE1-CB 3.72Å; F314-L438 HydrophobicContact CE2-CB 3.79Å; F314-L438 HydrophobicContact CE2-CD1 4.02Å; F314-L438 HydrophobicContact CG-CB 4.08Å; F314-L438 HydrophobicContact CG-CD1 4.13Å; F314-L438 HydrophobicContact CZ-CB 3.64Å; F314-M439 HydrophobicContact CE1-CG 4.37Å; F314-M439 HydrophobicContact CZ-CG 3.88Å
315S96.8Very high96.6Very high0 Ų026.3 Ų26.30%013%0.132CC..EExtended strand (participates in β ladder)trans-74.497.9173.2-1780000108.8S317 Q318 A319 V320S315-S317 PolarHBondContact O-N 2.91Å; S315-Q318 PolarHBondContact O-N 3.36Å; S315-Q318 WeakPolarHBondContact OG-CB 3.21Å; S315-Q318 WeakPolarHBondContact OG-CG 3.48Å; S315-Q318 PolarHBondContact OG-OE1 3Å; S315-Q318 VanDerWaalsContact OG-OE1 3.09Å; S315-A319 WeakPolarHBondContact O-CA 3.15Å; S315-A319 PolarHBondContact O-N 2.97Å; S315-V320 PolarHBondContact N-O 3.38Å; S315-V320 PolarHBondContact O-N 3.17Å
316L95.8Very high96.6Very high0 Ų026.1 Ų26.10%013%0.132CC..THydrogen-bonded Turntrans-59.6-40.1-174.3-175.758.2000111.1F314 T380 L381 F382 V446 H607 M611F314-L316 HydrophobicContact CD1-CD1 4.39Å; F314-L316 HydrophobicContact CE1-CD1 3.83Å; F314-L316 PolarHBondContact O-N 3.46Å; F314-L316 VanDerWaalsContact O-N 3.11Å; L316-T380 HydrophobicContact CB-CG2 3.91Å; L316-T380 HydrophobicContact CD2-CG2 4.15Å; L316-T380 HydrophobicContact CG-CG2 4.44Å; L316-L381 WeakPolarHBondContact CB-O 2.98Å; L316-L381 PolarHBondContact N-O 3.44Å; L316-F382 HydrophobicContact CD2-CD2 4.18Å; L316-V446 HydrophobicContact CD2-CG2 3.83Å; L316-H607 PolarHBondContact O-NE2 3.07Å; L316-M611 HydrophobicContact CD2-CE 4.29Å; L316-M611 HydrophobicContact CD2-SD 4.15Å; L316-M611 HydrophobicContact CG-CE 4.05Å; L316-M611 HydrophobicContact CG-SD 4.11Å
317S91Very high96.6Very high0 Ų025.4 Ų25.40%013%0.127CC..THydrogen-bonded Turntrans-74.6-32.8-176.2-35.40000112.4S315 S383 A385 I386 P387 M611S315-S317 PolarHBondContact O-N 2.91Å; S317-S383 VanDerWaalsContact CB-O 3.27Å; S317-S383 WeakPolarHBondContact CB-O 3.31Å; S317-S383 PolarHBondContact OG-N 2.96Å; S317-S383 VanDerWaalsContact OG-N 3.15Å; S317-S383 PolarHBondContact OG-O 3.37Å; S317-S383 PolarHBondContact OG-OG 3.18Å; S317-A385 WeakPolarHBondContact CB-O 3.45Å; S317-I386 CarbonylContact O-C 3.59Å; S317-P387 WeakPolarHBondContact O-CA 3.35Å; S317-P387 WeakPolarHBondContact O-CD 3.3Å; S317-P387 WeakPolarHBondContact O-CG 3.24Å; S317-M611 WeakPolarHBondContact OG-CE 3.44Å
318Q93.3Very high96.5Very high11 Ų1120.5 Ų20.55%0.05111%0.11CC..THydrogen-bonded Turntrans-87.1-18.1176.5-63.6175.9-33.500113S315 V320 T343 A385 K388 G389S315-Q318 PolarHBondContact O-N 3.36Å; S315-Q318 WeakPolarHBondContact OG-CB 3.21Å; S315-Q318 WeakPolarHBondContact OG-CG 3.48Å; S315-Q318 PolarHBondContact OG-OE1 3Å; S315-Q318 VanDerWaalsContact OG-OE1 3.09Å; Q318-V320 HydrophobicContact CB-CG2 4.39Å; Q318-T343 PolarHBondContact NE2-O 3.23Å; Q318-A385 HydrophobicContact CG-CB 3.8Å; Q318-K388 PolarHBondContact O-N 3.05Å; Q318-G389 PolarHBondContact O-N 3.47Å
319A94.9Very high96.4Very high4 Ų424.3 Ų24.33%0.03313%0.13CC..THydrogen-bonded Turntrans60.145.6-172.200000113.5S315 M439 L604S315-A319 WeakPolarHBondContact O-CA 3.15Å; S315-A319 PolarHBondContact O-N 2.97Å; A319-M439 HydrophobicContact CB-CG 3.79Å; A319-M439 HydrophobicContact CB-SD 3.42Å; A319-M439 WeakPolarHBondContact CB-SD 3.27Å; A319-L604 HydrophobicContact CB-CD1 3.56Å
320V94.8Very high96.4Very high32 Ų3222.4 Ų22.419%0.19412%0.118CC..EExtended strand (participates in β ladder)trans-134.3134.9-177.4-179.70000110.5S315 Q318 H322 G389S315-V320 PolarHBondContact N-O 3.38Å; S315-V320 PolarHBondContact O-N 3.17Å; Q318-V320 HydrophobicContact CB-CG2 4.39Å; V320-H322 PolarHBondContact O-CD2 3.37Å; V320-G389 WeakPolarHBondContact CG2-O 3.33Å
321L96.8Very high96.5Very high55 Ų5522.8 Ų22.829%0.28812%0.12SC..EExtended strand (participates in β ladder)trans-88.3133.3171.4-176.868.4000110.2H312 F314 A375 P378H312-L321 HydrophobicContact CB-CD1 4.39Å; F314-L321 HydrophobicContact CB-CD1 4.12Å; F314-L321 HydrophobicContact CD2-CB 4.15Å; F314-L321 HydrophobicContact CD2-CD1 4.49Å; L321-A375 HydrophobicContact CD2-CB 3.79Å; L321-P378 HydrophobicContact CD1-CB 3.78Å; L321-P378 HydrophobicContact CD1-CG 4.08Å
322H96.9Very high96.5Very high15 Ų1522.7 Ų22.77%0.06912%0.12CC..EExtended strand (participates in β ladder)trans-120140.6-179.3-63.3-84.2000110.7H312 V313 V320 Q342H312-H322 WeakPolarHBondContact CA-O 3.32Å; V313-H322 HydrophobicContact CB-CB 4.46Å; V313-H322 PolarHBondContact N-O 3.34Å; V313-H322 WeakPolarHBondContact O-CB 3.48Å; V313-H322 PolarHBondContact O-N 2.71Å; V320-H322 PolarHBondContact O-CD2 3.37Å; H322-Q342 PolarHBondContact ND1-OE1 3.36Å
323H97.8Very high96.4Very high39 Ų3923.3 Ų23.318%0.18113%0.13CC..EExtended strand (participates in β ladder)trans-104.1114.6171.9-64-165.8000107.3E109 S270 G272 V310 H312 Y325 Q342E109-H323 IonicContact OE1-CE1 2.68Å; E109-H323 IonicContact OE1-CG 2.86Å; E109-H323 IonicContact OE1-ND1 3.47Å; E109-H323 PolarHBondContact OE1-ND1 3.22Å; E109-H323 IonicContact OE2-ND1 3.82Å; S270-H323 WeakPolarHBondContact CB-ND1 3.48Å; S270-H323 WeakPolarHBondContact OG-CB 3.13Å; S270-H323 PolarHBondContact OG-ND1 3.34Å; G272-H323 WeakPolarHBondContact CA-O 3.33Å; V310-H323 HydrophobicContact CG1-CB 3.86Å; H312-H323 AromaticContact CD2-CD2 3.93Å; H312-H323 AromaticContact CD2-NE2 3.96Å; H323-Y325 HydrophobicContact CB-CD2 4.49Å; H323-Y325 HydrophobicContact CB-CE2 4.11Å; H323-Q342 PolarHBondContact O-NE2 2.96Å
324V98Very high96.4Very high1 Ų127.2 Ų27.21%0.00615%0.15CC..EExtended strand (participates in β ladder)trans-103.4107.8-178-175.40000108.7I311 V313 F335 A338 V339I311-V324 HydrophobicContact CB-CB 4.47Å; I311-V324 PolarHBondContact N-O 3.1Å; I311-V324 WeakPolarHBondContact O-CB 3.21Å; I311-V324 PolarHBondContact O-N 3.43Å; V313-V324 HydrophobicContact CB-CG2 4.45Å; V313-V324 HydrophobicContact CG2-CG2 3.94Å; V324-F335 HydrophobicContact CB-CD2 4.47Å; V324-F335 HydrophobicContact CB-CE2 4.13Å; V324-F335 HydrophobicContact CG1-CD2 3.85Å; V324-F335 HydrophobicContact CG1-CE2 3.98Å; V324-F335 HydrophobicContact CG2-CE2 4.31Å; V324-A338 HydrophobicContact CG1-CB 3.67Å; V324-V339 HydrophobicContact CG2-CG2 3.93Å
325Y97.4Very high96.4Very high15 Ų1527.1 Ų27.16%0.05915%0.15CC..EExtended strand (participates in β ladder)trans-84.8112.4178.1-79.9-104.3000110.3E109 L113 L273 R308 V310 H323E109-Y325 VanDerWaalsContact CD-OH 3.27Å; E109-Y325 PolarHBondContact OE1-OH 2.99Å; L113-Y325 HydrophobicContact CD1-CE1 4.48Å; L273-Y325 HydrophobicContact CB-CE2 3.79Å; L273-Y325 HydrophobicContact CD1-CE1 4.11Å; R308-Y325 HydrophobicContact CB-CD1 4.18Å; R308-Y325 PolarHBondContact NH1-O 2.79Å; R308-Y325 VanDerWaalsContact NH1-O 3.16Å; V310-Y325 HydrophobicContact CG1-CE2 4.47Å; V310-Y325 HydrophobicContact CG2-CD1 3.97Å; V310-Y325 HydrophobicContact CG2-CD2 4.29Å; V310-Y325 HydrophobicContact CG2-CE1 3.6Å; V310-Y325 HydrophobicContact CG2-CE2 3.93Å; V310-Y325 HydrophobicContact CG2-CG 4.3Å; H323-Y325 HydrophobicContact CB-CD2 4.49Å; H323-Y325 HydrophobicContact CB-CE2 4.11Å
326I97.3Very high96.4Very high2 Ų228.2 Ų28.21%0.0116%0.155CC..EExtended strand (participates in β ladder)trans-141.6150-175.5-168171.6000111.1R308 V309 I311 N330 I334 F335 A367R308-I326 CarbonylContact C-O 3.49Å; R308-I326 WeakPolarHBondContact CA-O 3.35Å; V309-I326 HydrophobicContact CG2-CG2 3.99Å; V309-I326 VanDerWaalsContact CG2-O 3.25Å; V309-I326 WeakPolarHBondContact CG2-O 3.25Å; V309-I326 PolarHBondContact N-O 2.86Å; V309-I326 PolarHBondContact O-N 3.16Å; I311-I326 HydrophobicContact CD1-CG2 3.74Å; I311-I326 HydrophobicContact CG1-CG2 4.14Å; I326-N330 HydrophobicContact CD1-CB 3.76Å; I326-N330 HydrophobicContact CG1-CB 3.67Å; I326-N330 VanDerWaalsContact CG1-OD1 3.3Å; I326-N330 WeakPolarHBondContact CG1-OD1 3.47Å; I326-I334 HydrophobicContact CD1-CG2 4.24Å; I326-F335 HydrophobicContact CD1-CB 3.54Å; I326-A367 HydrophobicContact CD1-CB 3.98Å; I326-A367 HydrophobicContact CG2-CB 4.44Å
327H97.4Very high96.5Very high16 Ų1631.9 Ų31.97%0.07417%0.172CC..  trans-75.2141.4170.3-68.9-74.8000111D304 H329 N330D304-H327 IonicContact OD1-CD2 3.5Å; D304-H327 IonicContact OD1-CE1 2.64Å; D304-H327 PolarHBondContact OD1-CE1 3.43Å; D304-H327 IonicContact OD1-NE2 3.05Å; D304-H327 PolarHBondContact OD1-NE2 2.88Å; D304-H327 IonicContact OD2-NE2 2.67Å; H327-H329 WeakPolarHBondContact CB-CE1 3.47Å; H327-H329 AromaticContact CG-CE1 3.61Å; H327-H329 AromaticContact ND1-CE1 3.98Å; H327-H329 PolarHBondContact O-N 3.44Å; H327-H329 VanDerWaalsContact O-N 3.16Å; H327-N330 WeakPolarHBondContact CB-OD1 3.35Å; H327-N330 PolarHBondContact N-OD1 2.86Å; H327-N330 VanDerWaalsContact N-OD1 3.16Å; H327-N330 WeakPolarHBondContact O-CB 3.45Å; H327-N330 PolarHBondContact O-N 3.46Å
328A95.1Very high96.7Very high34 Ų3433 Ų3328%0.28118%0.181SC..THydrogen-bonded Turntrans-55.1-36.6178.700000112.5N330 S366 A367 Q368A328-N330 VanDerWaalsContact C-N 3.33Å; A328-N330 PolarHBondContact O-N 3.11Å; A328-S366 PolarHBondContact O-OG 2.93Å; A328-A367 PolarHBondContact O-N 2.7Å; A328-Q368 HydrophobicContact CB-CB 4.05Å; A328-Q368 PolarHBondContact O-N 2.74Å
329H95.4Very high96.9Very high137 Ų13732.6 Ų32.663%0.63418%0.179SC*.THydrogen-bonded Turntrans-78.1-9.3179.266.4-99.1000114.4H327H327-H329 WeakPolarHBondContact CB-CE1 3.47Å; H327-H329 AromaticContact CG-CE1 3.61Å; H327-H329 AromaticContact ND1-CE1 3.98Å; H327-H329 PolarHBondContact O-N 3.44Å; H327-H329 VanDerWaalsContact O-N 3.16Å
330N97.5Very high96.9Very high25 Ų2535.3 Ų35.313%0.13419%0.191CC..SBendtrans-67.5154176.3-68.1158.2000110.8I326 H327 A328 I334 S366 A367I326-N330 HydrophobicContact CD1-CB 3.76Å; I326-N330 HydrophobicContact CG1-CB 3.67Å; I326-N330 VanDerWaalsContact CG1-OD1 3.3Å; I326-N330 WeakPolarHBondContact CG1-OD1 3.47Å; H327-N330 WeakPolarHBondContact CB-OD1 3.35Å; H327-N330 PolarHBondContact N-OD1 2.86Å; H327-N330 VanDerWaalsContact N-OD1 3.16Å; H327-N330 WeakPolarHBondContact O-CB 3.45Å; H327-N330 PolarHBondContact O-N 3.46Å; A328-N330 VanDerWaalsContact C-N 3.33Å; A328-N330 PolarHBondContact O-N 3.11Å; N330-I334 HydrophobicContact CB-CB 4.2Å; N330-I334 HydrophobicContact CB-CD1 3.97Å; N330-I334 HydrophobicContact CB-CG2 4.17Å; N330-S366 CarbonylContact O-C 3.51Å; N330-S366 WeakPolarHBondContact O-CA 3.48Å; N330-A367 WeakPolarHBondContact O-CB 3.45Å; N330-A367 PolarHBondContact O-N 2.87Å
331T97.9Very high97Very high51 Ų5141.3 Ų41.331%0.31322%0.215SC..BIsolated β-bridgetrans-77.4158.4176.4600000111.6A333 I334 F335 P363 I365T331-A333 PolarHBondContact O-N 3.16Å; T331-I334 WeakPolarHBondContact O-CB 3.29Å; T331-I334 PolarHBondContact O-N 3.2Å; T331-F335 PolarHBondContact O-N 3.26Å; T331-P363 WeakPolarHBondContact CB-O 3.3Å; T331-I365 CarbonylContact C-O 3.51Å; T331-I365 WeakPolarHBondContact CA-O 3.16Å
332I97.3Very high96.8Very high6 Ų640.4 Ų40.43%0.03121%0.209CC..Hα-helixtrans-58.2-31.7172.5-76.9174.4000111.4I334 F335 Q336 L361 E362 I365 I370I332-I334 VanDerWaalsContact C-N 3.28Å; I332-I334 PolarHBondContact O-N 3.43Å; I332-F335 WeakPolarHBondContact O-CA 3.26Å; I332-F335 WeakPolarHBondContact O-CB 3.35Å; I332-F335 PolarHBondContact O-N 3.32Å; I332-F335 VanDerWaalsContact O-N 3.12Å; I332-Q336 HydrophobicContact CG2-CG 4.15Å; I332-Q336 WeakPolarHBondContact O-CG 3.42Å; I332-Q336 PolarHBondContact O-N 3.46Å; I332-L361 HydrophobicContact CD1-CB 4.06Å; I332-L361 HydrophobicContact CD1-CD2 4.17Å; I332-L361 HydrophobicContact CG2-CB 3.66Å; I332-E362 WeakPolarHBondContact CB-O 3.48Å; I332-E362 WeakPolarHBondContact CD1-O 3.3Å; I332-I365 HydrophobicContact CD1-CB 4.12Å; I332-I365 WeakPolarHBondContact CG1-O 3.46Å; I332-I365 PolarHBondContact N-O 3.3Å; I332-I370 HydrophobicContact CG1-CD1 4.3Å; I332-I370 HydrophobicContact CG1-CG1 4.42Å
333A97.4Very high96.7Very high44 Ų4439.8 Ų39.836%0.36421%0.206SC..Hα-helixtrans-57.3-41.117300000112.5T331 Q336 E337 P363T331-A333 PolarHBondContact O-N 3.16Å; A333-Q336 PolarHBondContact O-N 2.89Å; A333-E337 PolarHBondContact O-N 2.7Å; A333-P363 HydrophobicContact CB-CB 4.17Å; A333-P363 PolarHBondContact N-O 2.9Å; A333-P363 VanDerWaalsContact N-O 3.12Å
334I97.4Very high96.5Very high82 Ų8242.2 Ų42.242%0.42123%0.228SC..Hα-helixtrans-67.6-39.7176-63.9169.4000110.4I326 N330 T331 I332 E337 A338I326-I334 HydrophobicContact CD1-CG2 4.24Å; N330-I334 HydrophobicContact CB-CB 4.2Å; N330-I334 HydrophobicContact CB-CD1 3.97Å; N330-I334 HydrophobicContact CB-CG2 4.17Å; T331-I334 WeakPolarHBondContact O-CB 3.29Å; T331-I334 PolarHBondContact O-N 3.2Å; I332-I334 VanDerWaalsContact C-N 3.28Å; I332-I334 PolarHBondContact O-N 3.43Å; I334-E337 PolarHBondContact O-N 2.92Å; I334-A338 WeakPolarHBondContact O-CB 3.4Å; I334-A338 PolarHBondContact O-N 2.86Å
335F97.8Very high96.3Very high0 Ų042.7 Ų42.70%023%0.231CC..Hα-helixtrans-59.3-48.3173.5168.7-104.8000112.2I311 V313 V324 I326 T331 I332 E337 A338 V339 Y352 L361 I370 L379I311-F335 HydrophobicContact CB-CE2 3.94Å; I311-F335 HydrophobicContact CD1-CD2 3.97Å; I311-F335 HydrophobicContact CD1-CE2 4.01Å; I311-F335 HydrophobicContact CG2-CE2 3.67Å; I311-F335 HydrophobicContact CG2-CZ 4.02Å; V313-F335 HydrophobicContact CG2-CE2 4Å; V313-F335 HydrophobicContact CG2-CZ 3.69Å; V324-F335 HydrophobicContact CB-CD2 4.47Å; V324-F335 HydrophobicContact CB-CE2 4.13Å; V324-F335 HydrophobicContact CG1-CD2 3.85Å; V324-F335 HydrophobicContact CG1-CE2 3.98Å; V324-F335 HydrophobicContact CG2-CE2 4.31Å; I326-F335 HydrophobicContact CD1-CB 3.54Å; T331-F335 PolarHBondContact O-N 3.26Å; I332-F335 WeakPolarHBondContact O-CA 3.26Å; I332-F335 WeakPolarHBondContact O-CB 3.35Å; I332-F335 PolarHBondContact O-N 3.32Å; I332-F335 VanDerWaalsContact O-N 3.12Å; F335-E337 VanDerWaalsContact C-N 3.28Å; F335-E337 PolarHBondContact O-N 2.89Å; F335-A338 WeakPolarHBondContact O-CB 3.43Å; F335-A338 PolarHBondContact O-N 3.38Å; F335-A338 VanDerWaalsContact O-N 3.11Å; F335-V339 HydrophobicContact CD1-CG2 4.5Å; F335-V339 HydrophobicContact CD2-CG2 4.28Å; F335-V339 HydrophobicContact CE1-CG2 4.06Å; F335-V339 HydrophobicContact CE2-CG2 3.81Å; F335-V339 HydrophobicContact CZ-CG2 3.7Å; F335-V339 WeakPolarHBondContact O-CG2 3.14Å; F335-V339 PolarHBondContact O-N 3.28Å; F335-Y352 HydrophobicContact CE1-CE1 4.24Å; F335-Y352 HydrophobicContact CE1-CE2 4.38Å; F335-Y352 AromaticContact CE1-CZ 3.85Å; F335-Y352 HydrophobicContact CZ-CE1 4.42Å; F335-L361 HydrophobicContact CD1-CD1 4.18Å; F335-L361 HydrophobicContact CE1-CD1 3.75Å; F335-I370 HydrophobicContact CB-CD1 4.43Å; F335-I370 HydrophobicContact CD1-CD1 3.97Å; F335-I370 HydrophobicContact CD2-CD1 4.22Å; F335-I370 HydrophobicContact CE1-CD1 4.26Å; F335-I370 HydrophobicContact CG-CD1 3.94Å; F335-L379 HydrophobicContact CE1-CD1 4.39Å; F335-L379 HydrophobicContact CZ-CD1 3.93Å
336Q97.2Very high96.2Very high23 Ų2343 Ų4311%0.10724%0.237CC..Hα-helixtrans-61.9-37.2179-70.8174.9-24.700111.7I332 A333 V339 H340 P347 Q350I332-Q336 HydrophobicContact CG2-CG 4.15Å; I332-Q336 WeakPolarHBondContact O-CG 3.42Å; I332-Q336 PolarHBondContact O-N 3.46Å; A333-Q336 PolarHBondContact O-N 2.89Å; Q336-V339 PolarHBondContact O-N 2.85Å; Q336-H340 WeakPolarHBondContact O-CB 3.38Å; Q336-H340 PolarHBondContact O-N 3.38Å; Q336-P347 HydrophobicContact CB-CB 4Å; Q336-P347 HydrophobicContact CB-CG 4.14Å; Q336-Q350 VanDerWaalsContact CA-OE1 3.3Å; Q336-Q350 VanDerWaalsContact CB-OE1 3.22Å; Q336-Q350 VanDerWaalsContact CG-OE1 3.31Å; Q336-Q350 PolarHBondContact O-NE2 3.36Å
337E97.1Very high96.1Very high77 Ų7745.1 Ų45.136%0.3625%0.25SS..Hα-helixtrans-68.3-39.3173.4-175.254.5-14600112.1A333 I334 F335 V339 H340 K341A333-E337 PolarHBondContact O-N 2.7Å; I334-E337 PolarHBondContact O-N 2.92Å; F335-E337 VanDerWaalsContact C-N 3.28Å; F335-E337 PolarHBondContact O-N 2.89Å; E337-V339 VanDerWaalsContact C-N 3.32Å; E337-V339 PolarHBondContact O-N 3.38Å; E337-H340 WeakPolarHBondContact O-CB 3.47Å; E337-H340 PolarHBondContact O-N 2.77Å; E337-H340 IonicContact OE1-CD2 3.08Å; E337-H340 IonicContact OE2-CD2 3.43Å; E337-K341 WeakPolarHBondContact O-CG 3.21Å; E337-K341 PolarHBondContact O-N 3.11Å
338A96.4Very high95.8Very high24 Ų2454.6 Ų54.620%0.19829%0.286CS..Hα-helixtrans-63.6-38.9174.200000111.9V324 I334 F335 K341 Q342V324-A338 HydrophobicContact CG1-CB 3.67Å; I334-A338 WeakPolarHBondContact O-CB 3.4Å; I334-A338 PolarHBondContact O-N 2.86Å; F335-A338 WeakPolarHBondContact O-CB 3.43Å; F335-A338 PolarHBondContact O-N 3.38Å; F335-A338 VanDerWaalsContact O-N 3.11Å; A338-K341 PolarHBondContact O-N 2.81Å; A338-Q342 PolarHBondContact O-N 3.26Å
339V96.9Very high95.7Very high2 Ų257.7 Ų57.71%0.01229%0.294CS..Hα-helixtrans-64.8-41.5171.6173.80000110.7V313 V324 F335 Q336 E337 K341 Q342 T343 L381V313-V339 HydrophobicContact CG2-CG2 4.18Å; V324-V339 HydrophobicContact CG2-CG2 3.93Å; F335-V339 HydrophobicContact CD1-CG2 4.5Å; F335-V339 HydrophobicContact CD2-CG2 4.28Å; F335-V339 HydrophobicContact CE1-CG2 4.06Å; F335-V339 HydrophobicContact CE2-CG2 3.81Å; F335-V339 HydrophobicContact CZ-CG2 3.7Å; F335-V339 WeakPolarHBondContact O-CG2 3.14Å; F335-V339 PolarHBondContact O-N 3.28Å; Q336-V339 PolarHBondContact O-N 2.85Å; E337-V339 VanDerWaalsContact C-N 3.32Å; E337-V339 PolarHBondContact O-N 3.38Å; V339-K341 VanDerWaalsContact C-N 3.34Å; V339-K341 PolarHBondContact O-N 2.51Å; V339-Q342 PolarHBondContact O-N 2.76Å; V339-T343 HydrophobicContact CG1-CG2 3.94Å; V339-T343 WeakPolarHBondContact O-CB 3.23Å; V339-T343 WeakPolarHBondContact O-CG2 3.44Å; V339-T343 PolarHBondContact O-N 2.79Å; V339-T343 PolarHBondContact O-OG1 3.47Å; V339-L381 HydrophobicContact CG1-CD2 3.83Å
340H95.9Very high95.6Very high61 Ų6152 Ų5228%0.28227%0.268SS..Hα-helixtrans-58.3-44.9176.8176.559.1000111.7Q336 E337 Q342 T343 S344 V345 A346Q336-H340 WeakPolarHBondContact O-CB 3.38Å; Q336-H340 PolarHBondContact O-N 3.38Å; E337-H340 WeakPolarHBondContact O-CB 3.47Å; E337-H340 PolarHBondContact O-N 2.77Å; E337-H340 IonicContact OE1-CD2 3.08Å; E337-H340 IonicContact OE2-CD2 3.43Å; H340-Q342 PolarHBondContact O-N 3.37Å; H340-T343 PolarHBondContact O-N 3.2Å; H340-S344 WeakPolarHBondContact O-CA 3.42Å; H340-S344 PolarHBondContact O-N 3.38Å; H340-V345 WeakPolarHBondContact CA-O 3.43Å; H340-V345 WeakPolarHBondContact CB-O 3.49Å; H340-V345 VanDerWaalsContact ND1-C 3.27Å; H340-V345 PolarHBondContact ND1-O 3.23Å; H340-A346 PolarHBondContact ND1-N 3.24Å
341K95.1Very high95.4Very high159 Ų15954 Ų5469%0.69128%0.276SS*.Hα-helixtrans-59.1-33.6177.9-72.2175-178.9177.60113.5E337 A338 V339E337-K341 WeakPolarHBondContact O-CG 3.21Å; E337-K341 PolarHBondContact O-N 3.11Å; A338-K341 PolarHBondContact O-N 2.81Å; V339-K341 VanDerWaalsContact C-N 3.34Å; V339-K341 PolarHBondContact O-N 2.51Å
342Q94.4Very high95.3Very high35 Ų3551.8 Ų51.816%0.16426%0.262CS..Hα-helixtrans-89.8-31.9-179.6-62.1-166.83800113.8H322 H323 A338 V339 H340H322-Q342 PolarHBondContact ND1-OE1 3.36Å; H323-Q342 PolarHBondContact O-NE2 2.96Å; A338-Q342 PolarHBondContact O-N 3.26Å; V339-Q342 PolarHBondContact O-N 2.76Å; H340-Q342 PolarHBondContact O-N 3.37Å
343T94Very high95.2Very high2 Ų251.9 Ų51.91%0.01226%0.263CS..Hα-helixtrans-106.5-17.3-171.7640000113.6Q318 V339 H340 V345 L381Q318-T343 PolarHBondContact NE2-O 3.23Å; V339-T343 HydrophobicContact CG1-CG2 3.94Å; V339-T343 WeakPolarHBondContact O-CB 3.23Å; V339-T343 WeakPolarHBondContact O-CG2 3.44Å; V339-T343 PolarHBondContact O-N 2.79Å; V339-T343 PolarHBondContact O-OG1 3.47Å; H340-T343 PolarHBondContact O-N 3.2Å; T343-V345 PolarHBondContact O-N 2.89Å; T343-V345 PolarHBondContact OG1-N 3.29Å; T343-V345 VanDerWaalsContact OG1-N 3.16Å; T343-L381 HydrophobicContact CG2-CD2 3.99Å
344S94.1Very high95.1Very high90 Ų9051.1 Ų51.163%0.62925%0.251SS*.  trans60.414.5-166.8-45.50000114.5H340H340-S344 WeakPolarHBondContact O-CA 3.42Å; H340-S344 PolarHBondContact O-N 3.38Å
345V94.1Very high94.8Very high11 Ų1152.8 Ų52.87%0.06726%0.257CS..  trans-88.9117.1175-1770000108.8H340 T343 H349 Q350 L381H340-V345 WeakPolarHBondContact CA-O 3.43Å; H340-V345 WeakPolarHBondContact CB-O 3.49Å; H340-V345 VanDerWaalsContact ND1-C 3.27Å; H340-V345 PolarHBondContact ND1-O 3.23Å; T343-V345 PolarHBondContact O-N 2.89Å; T343-V345 PolarHBondContact OG1-N 3.29Å; T343-V345 VanDerWaalsContact OG1-N 3.16Å; V345-H349 HydrophobicContact CG1-CB 4.07Å; V345-Q350 HydrophobicContact CB-CG 4.33Å; V345-Q350 HydrophobicContact CG1-CG 3.81Å; V345-Q350 PolarHBondContact O-NE2 2.99Å; V345-L381 HydrophobicContact CB-CD2 4.46Å; V345-L381 HydrophobicContact CG2-CD2 4.36Å
346A93.9Very high94.4Very high23 Ų2353.9 Ų53.919%0.1927%0.268CS..  trans-64.4145.9-179.500000111.6H340 R348 H349 Q350H340-A346 PolarHBondContact ND1-N 3.24Å; A346-R348 VanDerWaalsContact C-N 3.27Å; A346-R348 HydrophobicContact CB-CG 4.21Å; A346-R348 PolarHBondContact O-N 3.47Å; A346-R348 VanDerWaalsContact O-N 3.09Å; A346-H349 PolarHBondContact O-N 3.4Å; A346-Q350 PolarHBondContact O-N 3.06Å
347P94.6Very high94.1Very high45 Ų4559.5 Ų59.529%0.29229%0.294SS..G310 helixtrans-47.6-42.7-177-3337.4000115.1Q336 H349 Q350Q336-P347 HydrophobicContact CB-CB 4Å; Q336-P347 HydrophobicContact CB-CG 4.14Å; P347-H349 PolarHBondContact O-N 3.3Å; P347-H349 VanDerWaalsContact O-N 3.09Å; P347-Q350 WeakPolarHBondContact O-CB 3.27Å; P347-Q350 PolarHBondContact O-N 2.96Å
348R92.3Very high93.9Very high216 Ų21660.9 Ų60.982%0.81530%0.304SS*.G310 helixtrans-61.2-16.1176.758.8173.3163.3-166.3-5.2115.9A346A346-R348 VanDerWaalsContact C-N 3.27Å; A346-R348 HydrophobicContact CB-CG 4.21Å; A346-R348 PolarHBondContact O-N 3.47Å; A346-R348 VanDerWaalsContact O-N 3.09Å
349H92Very high93.7Very high99 Ų9961.3 Ų61.346%0.45831%0.305SS..G310 helixtrans-1128.3179.3-56.1149.9000111.8V345 A346 P347V345-H349 HydrophobicContact CG1-CB 4.07Å; A346-H349 PolarHBondContact O-N 3.4Å; P347-H349 PolarHBondContact O-N 3.3Å; P347-H349 VanDerWaalsContact O-N 3.09Å
350Q94.3Very high93.4Very high17 Ų1766.1 Ų66.18%0.07933%0.334CS..  trans-89.5116.1178.6-65.9173.36.200109.5Q336 V345 A346 P347 Y352 L381Q336-Q350 VanDerWaalsContact CA-OE1 3.3Å; Q336-Q350 VanDerWaalsContact CB-OE1 3.22Å; Q336-Q350 VanDerWaalsContact CG-OE1 3.31Å; Q336-Q350 PolarHBondContact O-NE2 3.36Å; V345-Q350 HydrophobicContact CB-CG 4.33Å; V345-Q350 HydrophobicContact CG1-CG 3.81Å; V345-Q350 PolarHBondContact O-NE2 2.99Å; A346-Q350 PolarHBondContact O-N 3.06Å; P347-Q350 WeakPolarHBondContact O-CB 3.27Å; P347-Q350 PolarHBondContact O-N 2.96Å; Q350-Y352 HydrophobicContact CB-CE2 3.72Å; Q350-Y352 PolarHBondContact OE1-OH 2.94Å; Q350-L381 HydrophobicContact CB-CD1 3.76Å; Q350-L381 HydrophobicContact CG-CD1 3.97Å
351E93.4Very high93.3Very high68 Ų6864.1 Ų64.132%0.31833%0.325SS..EExtended strand (participates in β ladder)trans-123.1131174.3-64.4-177.8-162.200109.7L381 F382 R618E351-L381 CarbonylContact O-C 3.55Å; E351-L381 WeakPolarHBondContact O-CA 3.25Å; E351-F382 HydrophobicContact CB-CB 4.48Å; E351-F382 PolarHBondContact O-N 3.31Å; E351-R618 IonicContact OE1-CZ 3.7Å; E351-R618 IonicContact OE1-NH1 2.83Å; E351-R618 IonicContact OE1-NH2 2.67Å; E351-R618 PolarHBondContact OE1-NH2 3Å; E351-R618 IonicContact OE2-CZ 3.95Å; E351-R618 IonicContact OE2-NH1 3.15Å; E351-R618 PolarHBondContact OE2-NH1 3.18Å; E351-R618 IonicContact OE2-NH2 2.83Å; E351-R618 PolarHBondContact OE2-NH2 3.19Å
352Y95.8Very high93.2Very high4 Ų461.4 Ų61.42%0.01632%0.315CS..EExtended strand (participates in β ladder)trans-113.7140.6-171.6-65-82.5000111.5V313 F335 Q350 C359 L361 L379 T380 L381V313-Y352 HydrophobicContact CG1-CE1 4.06Å; F335-Y352 HydrophobicContact CE1-CE1 4.24Å; F335-Y352 HydrophobicContact CE1-CE2 4.38Å; F335-Y352 AromaticContact CE1-CZ 3.85Å; F335-Y352 HydrophobicContact CZ-CE1 4.42Å; Q350-Y352 HydrophobicContact CB-CE2 3.72Å; Q350-Y352 PolarHBondContact OE1-OH 2.94Å; Y352-C359 PolarHBondContact O-N 3.2Å; Y352-L361 HydrophobicContact CD2-CD1 3.53Å; Y352-L361 HydrophobicContact CD2-CG 4.17Å; Y352-L361 HydrophobicContact CE2-CD1 3.75Å; Y352-L361 HydrophobicContact CG-CD1 4Å; Y352-L379 HydrophobicContact CD1-CB 4.12Å; Y352-L379 HydrophobicContact CD1-CD1 4.48Å; Y352-T380 CarbonylContact C-O 3.58Å; Y352-T380 WeakPolarHBondContact CA-O 3.29Å; Y352-L381 HydrophobicContact CD1-CB 4.27Å; Y352-L381 HydrophobicContact CD1-CD1 4.38Å; Y352-L381 HydrophobicContact CE1-CB 4.04Å; Y352-L381 HydrophobicContact CE1-CD1 3.95Å
353L95.2Very high93.1Very high7 Ų762.6 Ų62.64%0.03733%0.326CS..EExtended strand (participates in β ladder)trans-116.8140.7163.5-60.895000109.7H357 T380 F382 W445 V446 V449L353-H357 CarbonylContact C-O 3.54Å; L353-H357 WeakPolarHBondContact CA-O 3.29Å; L353-T380 PolarHBondContact N-O 3.04Å; L353-T380 PolarHBondContact O-N 3.25Å; L353-F382 HydrophobicContact CD1-CB 4.18Å; L353-W445 HydrophobicContact CB-CE3 4.37Å; L353-W445 HydrophobicContact CD2-CB 4.02Å; L353-V446 HydrophobicContact CD1-CG2 3.99Å; L353-V446 HydrophobicContact CD2-CG2 4.38Å; L353-V449 HydrophobicContact CD2-CG2 3.92Å
354F95.6Very high93.1Very high28 Ų2867.4 Ų67.412%0.12336%0.359CS..EExtended strand (participates in β ladder)trans-132.8125.8171.2-169.8-110.5000109G356 H357 C359 A371 H372 T373 L379F354-G356 PolarHBondContact O-N 3.45Å; F354-G356 VanDerWaalsContact O-N 3.11Å; F354-H357 PolarHBondContact N-O 3.22Å; F354-H357 PolarHBondContact O-N 3.36Å; F354-C359 HydrophobicContact CB-CB 4.44Å; F354-A371 HydrophobicContact CD1-CB 3.71Å; F354-A371 HydrophobicContact CE1-CB 3.44Å; F354-A371 VanDerWaalsContact CE1-CB 3.44Å; F354-A371 HydrophobicContact CE2-CB 4.41Å; F354-A371 HydrophobicContact CG-CB 4.29Å; F354-A371 HydrophobicContact CZ-CB 3.83Å; F354-H372 WeakPolarHBondContact CZ-O 3.47Å; F354-T373 HydrophobicContact CE2-CG2 4.01Å; F354-L379 HydrophobicContact CB-CD2 3.82Å; F354-L379 HydrophobicContact CD2-CD2 3.84Å; F354-L379 HydrophobicContact CD2-CG 4.47Å; F354-L379 HydrophobicContact CG-CD2 4.1Å
355E91.8Very high93.2Very high117 Ų11766.5 Ų66.555%0.54735%0.347SS..THydrogen-bonded Turntrans47.842.8179.7-61.2-172.2159.900113.5H357E355-H357 VanDerWaalsContact C-N 3.32Å; E355-H357 PolarHBondContact O-CE1 3.31Å; E355-H357 PolarHBondContact O-N 3.04Å; E355-H357 PolarHBondContact O-ND1 3.07Å
356G88.6Confident93.3Very high23 Ų2367.1 Ų67.124%0.23735%0.352CS..THydrogen-bonded Turntrans82.8-3.117900000116.1F354F354-G356 PolarHBondContact O-N 3.45Å; F354-G356 VanDerWaalsContact O-N 3.11Å
357H91.5Very high93.3Very high141 Ų14166.1 Ų66.165%0.65334%0.344SS*.EExtended strand (participates in β ladder)trans-109.4145.5-177.3-59.185.3000111.6L353 F354 E355 C359L353-H357 CarbonylContact C-O 3.54Å; L353-H357 WeakPolarHBondContact CA-O 3.29Å; F354-H357 PolarHBondContact N-O 3.22Å; F354-H357 PolarHBondContact O-N 3.36Å; E355-H357 VanDerWaalsContact C-N 3.32Å; E355-H357 PolarHBondContact O-CE1 3.31Å; E355-H357 PolarHBondContact O-N 3.04Å; E355-H357 PolarHBondContact O-ND1 3.07Å; H357-C359 PolarHBondContact O-N 3.47Å
358L91.6Very high93.3Very high106 Ų10669.8 Ų69.856%0.55536%0.357SS*.EExtended strand (participates in β ladder)trans-66.3124.6172.3-171.575.2000109.3V360L358-V360 HydrophobicContact CD2-CG2 4.34Å
359C92.3Very high93.3Very high33 Ų3365.3 Ų65.322%0.22335%0.345CS..EExtended strand (participates in β ladder)trans-104.4104.6179.4-1700000109.1Y352 F354 H357 L361Y352-C359 PolarHBondContact O-N 3.2Å; F354-C359 HydrophobicContact CB-CB 4.44Å; H357-C359 PolarHBondContact O-N 3.47Å; C359-L361 PolarHBondContact O-N 2.8Å; C359-L361 WeakPolarHBondContact SG-CD2 3.46Å
360V91.3Very high93.4Very high103 Ų10361.4 Ų61.462%0.62433%0.327SS*.  trans-83.8113.4174.7-177.60000108.3L358L358-V360 HydrophobicContact CD2-CG2 4.34Å
361L92.6Very high93.3Very high20 Ų2062.4 Ų62.411%0.10534%0.339CS..  trans-100.9100.8-178.6-64.5-174.2000109.6I332 F335 Y352 C359 I370I332-L361 HydrophobicContact CD1-CB 4.06Å; I332-L361 HydrophobicContact CD1-CD2 4.17Å; I332-L361 HydrophobicContact CG2-CB 3.66Å; F335-L361 HydrophobicContact CD1-CD1 4.18Å; F335-L361 HydrophobicContact CE1-CD1 3.75Å; Y352-L361 HydrophobicContact CD2-CD1 3.53Å; Y352-L361 HydrophobicContact CD2-CG 4.17Å; Y352-L361 HydrophobicContact CE2-CD1 3.75Å; Y352-L361 HydrophobicContact CG-CD1 4Å; C359-L361 PolarHBondContact O-N 2.8Å; C359-L361 WeakPolarHBondContact SG-CD2 3.46Å; L361-I370 HydrophobicContact CD2-CG1 4.32Å
362E93.1Very high93.3Very high101 Ų10167 Ų6747%0.47236%0.359SS..  trans-71.1120.4-179.9-73.1-61.6152.600111.8I332 S364 I365I332-E362 WeakPolarHBondContact CB-O 3.48Å; I332-E362 WeakPolarHBondContact CD1-O 3.3Å; E362-S364 PolarHBondContact O-N 3.49Å; E362-I365 HydrophobicContact CB-CD1 3.67Å; E362-I365 HydrophobicContact CB-CG1 3.85Å; E362-I365 HydrophobicContact CG-CD1 4.2Å; E362-I365 PolarHBondContact O-N 3.37Å; E362-I365 VanDerWaalsContact O-N 3.07Å
363P93.8Very high93.3Very high61 Ų6167.1 Ų67.140%0.39636%0.361SS..THydrogen-bonded Turntrans-58.3-26.2-169.2-2835.1000116.2T331 A333T331-P363 WeakPolarHBondContact CB-O 3.3Å; A333-P363 HydrophobicContact CB-CB 4.17Å; A333-P363 PolarHBondContact N-O 2.9Å; A333-P363 VanDerWaalsContact N-O 3.12Å
364S94.1Very high93.4Very high102 Ų10269.2 Ų69.271%0.71337%0.374SS*.THydrogen-bonded Turntrans-84-15.6-177.655.80000114E362E362-S364 PolarHBondContact O-N 3.49Å
365I95.3Very high93.4Very high72 Ų7270.1 Ų70.137%0.36939%0.387SS..SBendtrans-81.4149.8-177.4-59.4-177.1000110T331 I332 E362 H369T331-I365 CarbonylContact C-O 3.51Å; T331-I365 WeakPolarHBondContact CA-O 3.16Å; I332-I365 HydrophobicContact CD1-CB 4.12Å; I332-I365 WeakPolarHBondContact CG1-O 3.46Å; I332-I365 PolarHBondContact N-O 3.3Å; E362-I365 HydrophobicContact CB-CD1 3.67Å; E362-I365 HydrophobicContact CB-CG1 3.85Å; E362-I365 HydrophobicContact CG-CD1 4.2Å; E362-I365 PolarHBondContact O-N 3.37Å; E362-I365 VanDerWaalsContact O-N 3.07Å; I365-H369 HydrophobicContact CG2-CB 4.08Å; I365-H369 VanDerWaalsContact CG2-ND1 3.32Å; I365-H369 WeakPolarHBondContact CG2-ND1 3.47Å
366S96.2Very high93.5Very high23 Ų2368.5 Ų68.516%0.16139%0.389CS..BIsolated β-bridgetrans-70.1143.1175.4152.40000112.3A328 N330 Q368 H369A328-S366 PolarHBondContact O-OG 2.93Å; N330-S366 CarbonylContact O-C 3.51Å; N330-S366 WeakPolarHBondContact O-CA 3.48Å; S366-Q368 PolarHBondContact O-N 3.29Å; S366-Q368 VanDerWaalsContact OG-CG 3.24Å; S366-Q368 WeakPolarHBondContact OG-CG 3.38Å; S366-Q368 PolarHBondContact OG-N 3.17Å; S366-H369 PolarHBondContact O-N 3.45Å; S366-H369 PolarHBondContact O-ND1 3.39Å
367A94.5Very high93.9Very high3 Ų368.7 Ų68.73%0.02539%0.386CS..G310 helixtrans-61.9-19.6179.800000113.7I326 A328 N330 H369 I370I326-A367 HydrophobicContact CD1-CB 3.98Å; I326-A367 HydrophobicContact CG2-CB 4.44Å; A328-A367 PolarHBondContact O-N 2.7Å; N330-A367 WeakPolarHBondContact O-CB 3.45Å; N330-A367 PolarHBondContact O-N 2.87Å; A367-H369 PolarHBondContact O-N 3.14Å; A367-H369 VanDerWaalsContact O-N 3.15Å; A367-I370 HydrophobicContact CB-CD1 4.04Å; A367-I370 VanDerWaalsContact O-CB 3.27Å; A367-I370 WeakPolarHBondContact O-CB 3.48Å; A367-I370 WeakPolarHBondContact O-CG1 3.38Å; A367-I370 PolarHBondContact O-N 2.78Å
368Q94.1Very high94.2Very high122 Ų12262 Ų6257%0.5736%0.355SS*.G310 helixtrans-59.8-22.317479.6-169.45.800113.4A328 S366 I370A328-Q368 HydrophobicContact CB-CB 4.05Å; A328-Q368 PolarHBondContact O-N 2.74Å; S366-Q368 PolarHBondContact O-N 3.29Å; S366-Q368 VanDerWaalsContact OG-CG 3.24Å; S366-Q368 WeakPolarHBondContact OG-CG 3.38Å; S366-Q368 PolarHBondContact OG-N 3.17Å; Q368-I370 VanDerWaalsContact C-N 3.32Å
369H93.3Very high94.4Very high121 Ų12157 Ų5756%0.5633%0.329SS*.G310 helixtrans-88-2.1178.4-51.3101.3000112.6I365 S366 A367I365-H369 HydrophobicContact CG2-CB 4.08Å; I365-H369 VanDerWaalsContact CG2-ND1 3.32Å; I365-H369 WeakPolarHBondContact CG2-ND1 3.47Å; S366-H369 PolarHBondContact O-N 3.45Å; S366-H369 PolarHBondContact O-ND1 3.39Å; A367-H369 PolarHBondContact O-N 3.14Å; A367-H369 VanDerWaalsContact O-N 3.15Å
370I93.6Very high94.7Very high17 Ų1755.6 Ų55.69%0.08732%0.32CS..SBendtrans-68133.8168.9-63.3171.2000107.5I311 I332 F335 L361 A367 Q368 L379I311-I370 HydrophobicContact CD1-CB 4.14Å; I311-I370 HydrophobicContact CD1-CD1 3.5Å; I311-I370 HydrophobicContact CD1-CG1 4.4Å; I311-I370 HydrophobicContact CD1-CG2 4.12Å; I311-I370 HydrophobicContact CG2-CG2 4.2Å; I332-I370 HydrophobicContact CG1-CD1 4.3Å; I332-I370 HydrophobicContact CG1-CG1 4.42Å; F335-I370 HydrophobicContact CB-CD1 4.43Å; F335-I370 HydrophobicContact CD1-CD1 3.97Å; F335-I370 HydrophobicContact CD2-CD1 4.22Å; F335-I370 HydrophobicContact CE1-CD1 4.26Å; F335-I370 HydrophobicContact CG-CD1 3.94Å; L361-I370 HydrophobicContact CD2-CG1 4.32Å; A367-I370 HydrophobicContact CB-CD1 4.04Å; A367-I370 VanDerWaalsContact O-CB 3.27Å; A367-I370 WeakPolarHBondContact O-CB 3.48Å; A367-I370 WeakPolarHBondContact O-CG1 3.38Å; A367-I370 PolarHBondContact O-N 2.78Å; Q368-I370 VanDerWaalsContact C-N 3.32Å; I370-L379 HydrophobicContact CG2-CD1 3.73Å
371A91.3Very high94.9Very high39 Ų3950.7 Ų50.732%0.32229%0.29SS..PPolyproline II helixtrans-53.7146.3178.600000111.5F354 T373F354-A371 HydrophobicContact CD1-CB 3.71Å; F354-A371 HydrophobicContact CE1-CB 3.44Å; F354-A371 VanDerWaalsContact CE1-CB 3.44Å; F354-A371 HydrophobicContact CE2-CB 4.41Å; F354-A371 HydrophobicContact CG-CB 4.29Å; F354-A371 HydrophobicContact CZ-CB 3.83Å; A371-T373 WeakPolarHBondContact O-CG2 3.1Å; A371-T373 PolarHBondContact O-N 3.43Å
372H93.5Very high94.9Very high163 Ų16350.1 Ų50.176%0.75529%0.286SS*.PPolyproline II helixtrans-62.2126.1177178.4-81.9000110.1F354F354-H372 WeakPolarHBondContact CZ-O 3.47Å
373T96.9Very high94.6Very high8 Ų845.6 Ų45.65%0.04927%0.266CS..  trans-116.3153.7-176.958.40000111.5I311 H312 F354 A371 L379I311-T373 HydrophobicContact CG2-CG2 4.27Å; H312-T373 PolarHBondContact N-OG1 2.76Å; H312-T373 PolarHBondContact ND1-O 3.25Å; H312-T373 VanDerWaalsContact ND1-O 3.12Å; H312-T373 PolarHBondContact ND1-OG1 3.39Å; F354-T373 HydrophobicContact CE2-CG2 4.01Å; A371-T373 WeakPolarHBondContact O-CG2 3.1Å; A371-T373 PolarHBondContact O-N 3.43Å; T373-L379 HydrophobicContact CG2-CG 3.87Å
374T96.6Very high93.9Very high50 Ų5048.3 Ų48.331%0.30728%0.281SS..  trans-131.6168.9169.765.80000109.8H312 S376 S377 P378H312-T374 WeakPolarHBondContact CB-O 3.18Å; H312-T374 WeakPolarHBondContact ND1-CA 3.41Å; T374-S376 PolarHBondContact O-N 3.13Å; T374-S376 PolarHBondContact OG1-N 3.16Å; T374-S376 PolarHBondContact OG1-OG 2.6Å; T374-S376 VanDerWaalsContact OG1-OG 3.06Å; T374-S377 PolarHBondContact N-O 3.09Å; T374-S377 VanDerWaalsContact N-O 3.12Å; T374-S377 CarbonylContact O-C 3.57Å; T374-S377 PolarHBondContact O-N 3.32Å; T374-S377 VanDerWaalsContact O-N 3.14Å; T374-S377 PolarHBondContact OG1-N 2.78Å; T374-P378 VanDerWaalsContact O-N 3.14Å
375A94.7Very high93.1Very high47 Ų4744.8 Ų44.839%0.38826%0.259SS..SBendtrans-57.2-30.5172.900000113H312 L321H312-A375 PolarHBondContact CD2-N 3.31Å; L321-A375 HydrophobicContact CD2-CB 3.79Å
376S94.8Very high92.1Very high84 Ų8448 Ų4859%0.58728%0.276SS*.SBendtrans-88.9-18.1177.9590000114.3T374 R441T374-S376 PolarHBondContact O-N 3.13Å; T374-S376 PolarHBondContact OG1-N 3.16Å; T374-S376 PolarHBondContact OG1-OG 2.6Å; T374-S376 VanDerWaalsContact OG1-OG 3.06Å; S376-R441 PolarHBondContact O-NH1 2.94Å
377S96.1Very high91.3Very high26 Ų2648.7 Ų48.718%0.18228%0.279CS..SBendtrans-132.872172.7-161.40000110.7T374T374-S377 PolarHBondContact N-O 3.09Å; T374-S377 VanDerWaalsContact N-O 3.12Å; T374-S377 CarbonylContact O-C 3.57Å; T374-S377 PolarHBondContact O-N 3.32Å; T374-S377 VanDerWaalsContact O-N 3.14Å; T374-S377 PolarHBondContact OG1-N 2.78Å
378P97.8Very high90.9Very high2 Ų255.5 Ų55.51%0.01331%0.308CS..  trans-85.8162.5-179.234.4-35.4000112.2H312 F314 L321 T374 T380 L438H312-P378 HydrophobicContact CB-CB 3.91Å; H312-P378 WeakPolarHBondContact O-CA 3.38Å; H312-P378 WeakPolarHBondContact O-CB 3.48Å; F314-P378 HydrophobicContact CB-CB 4.04Å; F314-P378 HydrophobicContact CB-CG 3.59Å; L321-P378 HydrophobicContact CD1-CB 3.78Å; L321-P378 HydrophobicContact CD1-CG 4.08Å; T374-P378 VanDerWaalsContact O-N 3.14Å; P378-T380 PolarHBondContact O-N 3.23Å; P378-L438 HydrophobicContact CG-CD1 4.32Å; P378-L438 HydrophobicContact CG-CD2 3.8Å
379L97.6Very high90.6Very high0 Ų050.1 Ų50.10%029%0.285CS..EExtended strand (participates in β ladder)trans-63.1121.8159.4-75.2174.8000109.1I311 H312 V313 F314 F335 Y352 F354 I370 T373 L381I311-L379 HydrophobicContact CG2-CD1 3.85Å; H312-L379 PolarHBondContact O-N 3.39Å; V313-L379 CarbonylContact C-O 3.6Å; V313-L379 VanDerWaalsContact CA-O 3.31Å; V313-L379 WeakPolarHBondContact CA-O 3.15Å; V313-L379 HydrophobicContact CG2-CB 4.35Å; F314-L379 PolarHBondContact N-O 3.08Å; F335-L379 HydrophobicContact CE1-CD1 4.39Å; F335-L379 HydrophobicContact CZ-CD1 3.93Å; Y352-L379 HydrophobicContact CD1-CB 4.12Å; Y352-L379 HydrophobicContact CD1-CD1 4.48Å; F354-L379 HydrophobicContact CB-CD2 3.82Å; F354-L379 HydrophobicContact CD2-CD2 3.84Å; F354-L379 HydrophobicContact CD2-CG 4.47Å; F354-L379 HydrophobicContact CG-CD2 4.1Å; I370-L379 HydrophobicContact CG2-CD1 3.73Å; T373-L379 HydrophobicContact CG2-CG 3.87Å; L379-L381 PolarHBondContact O-N 3.42Å
380T97.3Very high90.5Very high4 Ų447.1 Ų47.13%0.02527%0.273CS..EExtended strand (participates in β ladder)trans-88.8111.1178.3-610000109.5F314 L316 Y352 L353 P378F314-T380 CarbonylContact O-C 3.21Å; F314-T380 WeakPolarHBondContact O-CA 3.27Å; L316-T380 HydrophobicContact CB-CG2 3.91Å; L316-T380 HydrophobicContact CD2-CG2 4.15Å; L316-T380 HydrophobicContact CG-CG2 4.44Å; Y352-T380 CarbonylContact C-O 3.58Å; Y352-T380 WeakPolarHBondContact CA-O 3.29Å; L353-T380 PolarHBondContact N-O 3.04Å; L353-T380 PolarHBondContact O-N 3.25Å; P378-T380 PolarHBondContact O-N 3.23Å
381L96.3Very high90.4Very high0 Ų050.1 Ų50.10%030%0.3CS..EExtended strand (participates in β ladder)trans-85.7116.5175.6171.566000110V313 F314 L316 V339 T343 V345 Q350 E351 Y352 L379V313-L381 HydrophobicContact CG1-CB 3.85Å; V313-L381 HydrophobicContact CG1-CD2 4.49Å; F314-L381 PolarHBondContact O-N 3.26Å; L316-L381 WeakPolarHBondContact CB-O 2.98Å; L316-L381 PolarHBondContact N-O 3.44Å; V339-L381 HydrophobicContact CG1-CD2 3.83Å; T343-L381 HydrophobicContact CG2-CD2 3.99Å; V345-L381 HydrophobicContact CB-CD2 4.46Å; V345-L381 HydrophobicContact CG2-CD2 4.36Å; Q350-L381 HydrophobicContact CB-CD1 3.76Å; Q350-L381 HydrophobicContact CG-CD1 3.97Å; E351-L381 CarbonylContact O-C 3.55Å; E351-L381 WeakPolarHBondContact O-CA 3.25Å; Y352-L381 HydrophobicContact CD1-CB 4.27Å; Y352-L381 HydrophobicContact CD1-CD1 4.38Å; Y352-L381 HydrophobicContact CE1-CB 4.04Å; Y352-L381 HydrophobicContact CE1-CD1 3.95Å; L379-L381 PolarHBondContact O-N 3.42Å
382F92.3Very high90.5Very high7 Ų750.7 Ų50.73%0.03130%0.296CS..EExtended strand (participates in β ladder)trans-95.9126.7172.2-174.9-97.4000110.4L316 E351 L353 V446 M611 V614 H615L316-F382 HydrophobicContact CD2-CD2 4.18Å; E351-F382 HydrophobicContact CB-CB 4.48Å; E351-F382 PolarHBondContact O-N 3.31Å; L353-F382 HydrophobicContact CD1-CB 4.18Å; F382-V446 HydrophobicContact CD2-CG1 4.19Å; F382-V446 HydrophobicContact CD2-CG2 3.72Å; F382-V446 HydrophobicContact CE2-CG1 3.85Å; F382-V446 HydrophobicContact CE2-CG2 4.18Å; F382-V446 HydrophobicContact CG-CG2 4.41Å; F382-V446 HydrophobicContact CZ-CG1 4.38Å; F382-M611 HydrophobicContact CD2-CE 4.09Å; F382-M611 HydrophobicContact CE2-CE 3.79Å; F382-M611 HydrophobicContact CE2-SD 4.32Å; F382-V614 HydrophobicContact CE2-CG1 3.84Å; F382-V614 HydrophobicContact CZ-CG1 3.99Å; F382-H615 AromaticContact CE2-CE1 3.9Å; F382-H615 AromaticContact CZ-CE1 3.63Å; F382-H615 AromaticContact CZ-NE2 3.66Å
383S87.1Confident90.5Very high7 Ų748 Ų485%0.04928%0.279CS..  trans-152.7173.8179.273.30000112.5S317 A385 H615S317-S383 VanDerWaalsContact CB-O 3.27Å; S317-S383 WeakPolarHBondContact CB-O 3.31Å; S317-S383 PolarHBondContact OG-N 2.96Å; S317-S383 VanDerWaalsContact OG-N 3.15Å; S317-S383 PolarHBondContact OG-O 3.37Å; S317-S383 PolarHBondContact OG-OG 3.18Å; S383-A385 VanDerWaalsContact C-N 3.27Å; S383-A385 PolarHBondContact O-N 2.7Å; S383-A385 PolarHBondContact OG-N 3.49Å; S383-H615 PolarHBondContact O-CE1 2.9Å; S383-H615 VanDerWaalsContact O-CE1 3.26Å; S383-H615 PolarHBondContact O-NE2 3.47Å
384T78.3Confident90.2Very high117 Ų11749.6 Ų49.672%0.71829%0.287SS*.SBendtrans-83.79.3177.354.30000114.8H615T384-H615 WeakPolarHBondContact CA-NE2 3.32Å
385A76.6Confident90Very high29 Ų2947.3 Ų47.324%0.2427%0.273CS..PPolyproline II helixtrans-68154.1-176.800000113.2S317 Q318 S383S317-A385 WeakPolarHBondContact CB-O 3.45Å; Q318-A385 HydrophobicContact CG-CB 3.8Å; S383-A385 VanDerWaalsContact C-N 3.27Å; S383-A385 PolarHBondContact O-N 2.7Å; S383-A385 PolarHBondContact OG-N 3.49Å
386I74.9Confident89.7Confident140 Ų14047 Ų4772%0.71827%0.271SS*.PPolyproline II helixtrans-81.4141.7177.8-59.1173.7000110S317 K388S317-I386 CarbonylContact O-C 3.59Å; I386-K388 PolarHBondContact O-N 3.39Å
387P79.5Confident89.3Confident36 Ų3648.9 Ų48.923%0.23427%0.273CS..PPolyproline II helixtrans-57.6122.4173-22.631.4000112S317 L604S317-P387 WeakPolarHBondContact O-CA 3.35Å; S317-P387 WeakPolarHBondContact O-CD 3.3Å; S317-P387 WeakPolarHBondContact O-CG 3.24Å; P387-L604 HydrophobicContact CB-CD1 3.77Å; P387-L604 HydrophobicContact CB-CG 4.17Å
388K85.6Confident88.2Confident147 Ų14751.7 Ų51.764%0.63929%0.286SS*.  trans-101.8-36.6174.1-67.5179.6179.8174.50110.9Q318 I386Q318-K388 PolarHBondContact O-N 3.05Å; I386-K388 PolarHBondContact O-N 3.39Å
389G88.7Confident87.6Confident8 Ų853.3 Ų53.38%0.08230%0.296CS..  trans70.2178.7-170.700000112.9Q318 V320 A391 Y600Q318-G389 PolarHBondContact O-N 3.47Å; V320-G389 WeakPolarHBondContact CG2-O 3.33Å; G389-A391 PolarHBondContact O-N 3.25Å; G389-Y600 WeakPolarHBondContact CA-OH 3.2Å
390L90.6Very high87.2Confident58 Ų5855.7 Ų55.730%0.30431%0.311SS..  trans-70.6126.1178.1-175.372.9000110.8F392 L428 V431 L432 Y600L390-F392 HydrophobicContact CD2-CD1 4.24Å; L390-F392 HydrophobicContact CG-CD1 4.36Å; L390-F392 WeakPolarHBondContact O-CD1 3.42Å; L390-L428 HydrophobicContact CD2-CD2 4.23Å; L390-V431 HydrophobicContact CD1-CG1 4.32Å; L390-V431 HydrophobicContact CD2-CB 4.23Å; L390-V431 HydrophobicContact CD2-CG1 3.63Å; L390-L432 HydrophobicContact CB-CD2 4.22Å; L390-L432 HydrophobicContact CD2-CD2 3.94Å; L390-Y600 PolarHBondContact N-OH 3.45Å
391A91.8Very high86.9Confident80 Ų8064.5 Ų64.566%0.66135%0.349SS*.  trans-84.9126168.700000110.2I265 G389I265-A391 HydrophobicContact CD1-CB 4.42Å; G389-A391 PolarHBondContact O-N 3.25Å
392F93.6Very high86.6Confident52 Ų5266.1 Ų66.123%0.22836%0.357CS..  trans-149.6160.3176.664.5-87.3000111.3L390 L428 L432 F592 V597L390-F392 HydrophobicContact CD2-CD1 4.24Å; L390-F392 HydrophobicContact CG-CD1 4.36Å; L390-F392 WeakPolarHBondContact O-CD1 3.42Å; F392-L428 HydrophobicContact CB-CD1 4.17Å; F392-L428 HydrophobicContact CB-CD2 3.62Å; F392-L428 HydrophobicContact CD2-CD1 3.69Å; F392-L428 HydrophobicContact CD2-CD2 4.38Å; F392-L428 HydrophobicContact CE2-CD1 4.42Å; F392-L428 HydrophobicContact CG-CD1 4.15Å; F392-L428 HydrophobicContact CG-CD2 3.99Å; F392-L432 HydrophobicContact CE1-CD1 4.32Å; F392-L432 HydrophobicContact CE1-CD2 4.06Å; F392-L432 HydrophobicContact CZ-CD1 4.33Å; F392-F592 HydrophobicContact CE2-CE1 4.29Å; F392-F592 AromaticContact CE2-CZ 3.93Å; F392-F592 HydrophobicContact CE2-CZ 3.93Å; F392-V597 HydrophobicContact CE2-CG2 4.23Å; F392-V597 HydrophobicContact CZ-CG1 4.14Å; F392-V597 HydrophobicContact CZ-CG2 3.82Å
393R92.6Very high86.6Confident105 Ų10570.1 Ų70.140%0.39638%0.381SS..  trans-92.5131171.4179.8171.5179.2156.5-1.7109.6I265 T266 P395 D398I265-R393 HydrophobicContact CG2-CB 3.72Å; T266-R393 HydrophobicContact CG2-CB 4.27Å; R393-P395 VanDerWaalsContact O-CD 3.31Å; R393-P395 WeakPolarHBondContact O-CD 3.37Å; R393-D398 IonicContact CZ-OD1 2.78Å; R393-D398 IonicContact CZ-OD2 2.97Å; R393-D398 IonicContact NE-OD2 3.88Å; R393-D398 PolarHBondContact NE-OD2 3.12Å; R393-D398 IonicContact NH2-OD1 2.74Å; R393-D398 PolarHBondContact NH2-OD1 3.03Å; R393-D398 IonicContact NH2-OD2 3.98Å; R393-D398 PolarHBondContact NH2-OD2 3.12Å
394D92.1Very high86.7Confident43 Ų4375.8 Ų75.823%0.2342%0.418CS..  trans-61.3118.1178.9-178.7-3000111A396 L397 Q593D394-A396 PolarHBondContact O-N 2.9Å; D394-A396 VanDerWaalsContact O-N 3.13Å; D394-A396 VanDerWaalsContact OD1-CB 3.29Å; D394-A396 WeakPolarHBondContact OD1-CB 3.45Å; D394-A396 PolarHBondContact OD1-N 2.89Å; D394-L397 HydrophobicContact CB-CD1 4.01Å; D394-L397 HydrophobicContact CB-CG 4.05Å; D394-L397 PolarHBondContact O-N 3.39Å; D394-Q593 PolarHBondContact OD1-NE2 2.81Å; D394-Q593 PolarHBondContact OD2-NE2 3.35Å
395P91.9Very high87.4Confident1 Ų178 Ų781%0.00642%0.418CS..G310 helixtrans-58.3-23.3177.7-23.934.9000114.1R393 L397 V399 A421 Q424 A425 L428 L589 F592R393-P395 VanDerWaalsContact O-CD 3.31Å; R393-P395 WeakPolarHBondContact O-CD 3.37Å; P395-L397 VanDerWaalsContact C-N 3.28Å; P395-L397 PolarHBondContact O-N 3.42Å; P395-V399 WeakPolarHBondContact O-CG2 3.25Å; P395-A421 HydrophobicContact CB-CB 4.42Å; P395-Q424 HydrophobicContact CG-CB 4.38Å; P395-Q424 HydrophobicContact CG-CG 4.14Å; P395-A425 HydrophobicContact CB-CB 4.24Å; P395-A425 HydrophobicContact CG-CB 4.02Å; P395-L428 HydrophobicContact CG-CD1 3.81Å; P395-L589 HydrophobicContact CB-CD2 4.33Å; P395-F592 HydrophobicContact CG-CE1 4.06Å; P395-F592 HydrophobicContact CG-CZ 4.34Å
396A87.8Confident88.1Confident41 Ų4178.2 Ų78.234%0.33942%0.416SS..G310 helixtrans-69.8-22.4-178.800000113.7D394 D398 L589D394-A396 PolarHBondContact O-N 2.9Å; D394-A396 VanDerWaalsContact O-N 3.13Å; D394-A396 VanDerWaalsContact OD1-CB 3.29Å; D394-A396 WeakPolarHBondContact OD1-CB 3.45Å; D394-A396 PolarHBondContact OD1-N 2.89Å; A396-D398 VanDerWaalsContact C-N 3.34Å; A396-D398 PolarHBondContact O-N 3.43Å; A396-L589 HydrophobicContact CB-CD1 4.39Å; A396-L589 HydrophobicContact CB-CD2 4.36Å
397L86.3Confident89Confident124 Ų12475.4 Ų75.465%0.64940%0.402SS*.G310 helixtrans-70.5-28.9-174.7-67.5174000113.5D394 P395D394-L397 HydrophobicContact CB-CD1 4.01Å; D394-L397 HydrophobicContact CB-CG 4.05Å; D394-L397 PolarHBondContact O-N 3.39Å; P395-L397 VanDerWaalsContact C-N 3.28Å; P395-L397 PolarHBondContact O-N 3.42Å
398D72.6Confident89.7Confident85 Ų8574.6 Ų74.646%0.45540%0.396SS..G310 helixtrans-113.816.8-169.2-60.2-57.7000113R393 A396 P400R393-D398 IonicContact CZ-OD1 2.78Å; R393-D398 IonicContact CZ-OD2 2.97Å; R393-D398 IonicContact NE-OD2 3.88Å; R393-D398 PolarHBondContact NE-OD2 3.12Å; R393-D398 IonicContact NH2-OD1 2.74Å; R393-D398 PolarHBondContact NH2-OD1 3.03Å; R393-D398 IonicContact NH2-OD2 3.98Å; R393-D398 PolarHBondContact NH2-OD2 3.12Å; A396-D398 VanDerWaalsContact C-N 3.34Å; A396-D398 PolarHBondContact O-N 3.43Å; D398-P400 WeakPolarHBondContact O-CD 3.36Å
399V86.8Confident90Very high35 Ų3571 Ų7121%0.21238%0.382CS..  trans-77118.6-175.8-174.90000110.9P395 V418 A421 L589P395-V399 WeakPolarHBondContact O-CG2 3.25Å; V399-V418 HydrophobicContact CG1-CB 4.27Å; V399-V418 HydrophobicContact CG1-CG1 4.03Å; V399-V418 HydrophobicContact CG1-CG2 3.79Å; V399-A421 HydrophobicContact CG2-CB 3.84Å; V399-L589 HydrophobicContact CG2-CD1 3.87Å
400P89.3Confident90.2Very high50 Ų5072.4 Ų72.433%0.32539%0.392SS..  trans-70.5149.4178.329.7-33.2000110.8D398 T414 V418D398-P400 WeakPolarHBondContact O-CD 3.36Å; P400-T414 HydrophobicContact CB-CG2 4.2Å; P400-T414 HydrophobicContact CG-CG2 4.26Å; P400-V418 HydrophobicContact CG-CG2 3.95Å; P400-V418 WeakPolarHBondContact O-CG2 3.49Å
401K89.7Confident90.4Very high189 Ų18969.8 Ų69.882%0.82238%0.378SS*.  trans-104139.5-179.9-65-178.9-177.5175.10110.7
402F91.8Very high90.6Very high35 Ų3566.4 Ų66.415%0.15435%0.349CS..  trans-65.3137171.9-73.5-84.7000111D411 T414 A415 F557 K578 F581 S582F402-D411 HydrophobicContact CD1-CB 4.38Å; F402-D411 HydrophobicContact CE1-CB 4.18Å; F402-D411 WeakPolarHBondContact CE1-O 3.26Å; F402-T414 HydrophobicContact CD1-CG2 3.85Å; F402-T414 HydrophobicContact CD2-CG2 3.97Å; F402-T414 HydrophobicContact CE1-CG2 3.93Å; F402-T414 HydrophobicContact CE2-CG2 4.02Å; F402-T414 HydrophobicContact CG-CG2 3.89Å; F402-T414 HydrophobicContact CZ-CG2 4.02Å; F402-A415 HydrophobicContact CE1-CB 4.4Å; F402-A415 HydrophobicContact CZ-CB 3.93Å; F402-F557 HydrophobicContact CE1-CE2 4Å; F402-F557 HydrophobicContact CZ-CE2 4.2Å; F402-K578 HydrophobicContact CD1-CD 4.43Å; F402-K578 HydrophobicContact CD1-CG 4.12Å; F402-K578 HydrophobicContact CE1-CG 4.26Å; F402-F581 AromaticContact CE2-CD1 3.54Å; F402-F581 HydrophobicContact CE2-CD1 3.54Å; F402-F581 AromaticContact CE2-CE1 3.94Å; F402-F581 HydrophobicContact CE2-CE1 3.94Å; F402-F581 HydrophobicContact CE2-CG 4.39Å; F402-F581 AromaticContact CZ-CD1 3.8Å; F402-F581 HydrophobicContact CZ-CD1 3.8Å; F402-F581 HydrophobicContact CZ-CE1 4.03Å; F402-F581 HydrophobicContact CZ-CG 4.39Å; F402-S582 VanDerWaalsContact CD2-OG 3.31Å; F402-S582 WeakPolarHBondContact CD2-OG 3.42Å
403V91.8Very high90.5Very high91 Ų9168.1 Ų68.155%0.55236%0.36SS*.  trans-77.7141.5168.4-177.30000108.4K405 K578V403-K405 VanDerWaalsContact C-N 3.26Å; V403-K405 HydrophobicContact CG1-CB 4.32Å; V403-K405 PolarHBondContact O-N 2.89Å; V403-K578 PolarHBondContact O-NZ 3.34Å
404P88.6Confident90.7Very high126 Ų12664.1 Ų64.182%0.81835%0.348SS*.SBendtrans-59.8-33.7-179.4-27.335.5000114.1
405K92.1Very high90.9Very high163 Ų16362.1 Ų62.171%0.70934%0.337SS*.SBendtrans-65.2140.7175.6-172.5178.3177.4-176.10110.5V403 D407 K578V403-K405 VanDerWaalsContact C-N 3.26Å; V403-K405 HydrophobicContact CG1-CB 4.32Å; V403-K405 PolarHBondContact O-N 2.89Å; K405-D407 PolarHBondContact O-N 3.34Å; K405-K578 PolarHBondContact O-NZ 2.84Å
406V92.1Very high91.1Very high33 Ų3364.6 Ų64.620%0.235%0.348CS..  trans-75.9121.1172.1177.10000109L408 E571 K575V406-L408 HydrophobicContact CG1-CD2 3.87Å; V406-E571 HydrophobicContact CB-CG 4.49Å; V406-E571 HydrophobicContact CG1-CG 4.46Å; V406-E571 HydrophobicContact CG2-CG 4.04Å; V406-K575 HydrophobicContact CG2-CD 4.23Å; V406-K575 VanDerWaalsContact CG2-CE 3.49Å; V406-K575 HydrophobicContact CG2-CG 3.63Å
407D93.9Very high91.4Very high82 Ų8264.3 Ų64.344%0.43935%0.349SS..  trans-141.7104.3172177.7-33.7000106.1K405 Q409 A410 D411K405-D407 PolarHBondContact O-N 3.34Å; D407-Q409 PolarHBondContact O-N 3.12Å; D407-Q409 PolarHBondContact OD1-N 3.27Å; D407-Q409 VanDerWaalsContact OD1-N 3.16Å; D407-A410 HydrophobicContact CB-CB 3.86Å; D407-A410 VanDerWaalsContact CG-CB 3.47Å; D407-A410 PolarHBondContact O-N 3.21Å; D407-A410 PolarHBondContact OD1-N 2.83Å; D407-D411 PolarHBondContact N-OD2 3.04Å; D407-D411 WeakPolarHBondContact O-CB 3.22Å; D407-D411 PolarHBondContact O-N 2.74Å
408L94.3Very high91.9Very high19 Ų1958.8 Ų58.810%0.09932%0.32CS..Hα-helixtrans-60.4-33.7-168.7-54.6179.8000112.5V406 Y412 S560 R563 L566V406-L408 HydrophobicContact CG1-CD2 3.87Å; L408-Y412 VanDerWaalsContact O-CB 3.26Å; L408-Y412 WeakPolarHBondContact O-CB 3.47Å; L408-Y412 PolarHBondContact O-N 3.05Å; L408-Y412 VanDerWaalsContact O-N 3.1Å; L408-S560 WeakPolarHBondContact CD1-O 3.19Å; L408-R563 HydrophobicContact CD1-CB 4.22Å; L408-L566 HydrophobicContact CD1-CD2 4.3Å; L408-L566 HydrophobicContact CD1-CG 4.06Å; L408-L566 HydrophobicContact CD2-CD1 3.59Å; L408-L566 HydrophobicContact CD2-CG 3.91Å
409Q91.8Very high93Very high72 Ų7254.8 Ų54.834%0.33630%0.298SS..Hα-helixtrans-79.7-43.6-179.6-174.559.853.400111.3D407 Y412 N413D407-Q409 PolarHBondContact O-N 3.12Å; D407-Q409 PolarHBondContact OD1-N 3.27Å; D407-Q409 VanDerWaalsContact OD1-N 3.16Å; Q409-Y412 PolarHBondContact O-N 3.01Å; Q409-N413 PolarHBondContact NE2-OD1 3.22Å; Q409-N413 WeakPolarHBondContact O-CB 3.28Å; Q409-N413 VanDerWaalsContact O-CG 3.24Å; Q409-N413 PolarHBondContact O-N 2.99Å; Q409-N413 PolarHBondContact O-ND2 2.88Å
410A92.1Very high93.4Very high37 Ų3753.1 Ų53.131%0.30629%0.289SS..Hα-helixtrans-67-38.1176.400000111.8D407 N413 T414D407-A410 HydrophobicContact CB-CB 3.86Å; D407-A410 VanDerWaalsContact CG-CB 3.47Å; D407-A410 PolarHBondContact O-N 3.21Å; D407-A410 PolarHBondContact OD1-N 2.83Å; A410-N413 PolarHBondContact O-N 2.84Å; A410-T414 WeakPolarHBondContact O-CB 3.29Å; A410-T414 PolarHBondContact O-N 3.37Å; A410-T414 PolarHBondContact O-OG1 3.3Å
411D95.4Very high93.7Very high2 Ų251 Ų511%0.01128%0.275CS..Hα-helixtrans-65.5-43.5176.1-69.1-28.3000111F402 D407 T414 A415 H574 K578F402-D411 HydrophobicContact CD1-CB 4.38Å; F402-D411 HydrophobicContact CE1-CB 4.18Å; F402-D411 WeakPolarHBondContact CE1-O 3.26Å; D407-D411 PolarHBondContact N-OD2 3.04Å; D407-D411 WeakPolarHBondContact O-CB 3.22Å; D407-D411 PolarHBondContact O-N 2.74Å; D411-T414 PolarHBondContact O-N 2.83Å; D411-A415 VanDerWaalsContact O-CB 3.29Å; D411-A415 WeakPolarHBondContact O-CB 3.48Å; D411-A415 PolarHBondContact O-N 3.15Å; D411-H574 IonicContact OD2-CD2 2.71Å; D411-H574 IonicContact OD2-CE1 3.08Å; D411-H574 IonicContact OD2-NE2 3.71Å; D411-H574 PolarHBondContact OD2-NE2 3.48Å; D411-K578 VanDerWaalsContact CG-NZ 3.25Å; D411-K578 VanDerWaalsContact OD1-CE 3.25Å; D411-K578 WeakPolarHBondContact OD1-CE 3.4Å; D411-K578 IonicContact OD1-NZ 2.76Å; D411-K578 PolarHBondContact OD1-NZ 3.23Å; D411-K578 WeakPolarHBondContact OD2-CD 3.35Å; D411-K578 IonicContact OD2-NZ 3.5Å; D411-K578 PolarHBondContact OD2-NZ 3.45Å; D411-K578 VanDerWaalsContact OD2-NZ 3.08Å
412Y95.3Very high94.1Very high10 Ų1042.1 Ų42.14%0.03924%0.238CC..Hα-helixtrans-58.6-47.5172.5167.1-102.9000112.1L408 Q409 A415 K416 Y554 K558 R561L408-Y412 VanDerWaalsContact O-CB 3.26Å; L408-Y412 WeakPolarHBondContact O-CB 3.47Å; L408-Y412 PolarHBondContact O-N 3.05Å; L408-Y412 VanDerWaalsContact O-N 3.1Å; Q409-Y412 PolarHBondContact O-N 3.01Å; Y412-A415 PolarHBondContact O-N 2.89Å; Y412-K416 WeakPolarHBondContact O-CB 3.33Å; Y412-K416 PolarHBondContact O-N 2.67Å; Y412-Y554 HydrophobicContact CD2-CD2 4.34Å; Y412-Y554 AromaticContact CD2-CE2 3.76Å; Y412-Y554 HydrophobicContact CD2-CE2 3.76Å; Y412-Y554 HydrophobicContact CE2-CD2 4.24Å; Y412-Y554 AromaticContact CE2-CE2 3.31Å; Y412-Y554 HydrophobicContact CE2-CE2 3.31Å; Y412-Y554 AromaticContact CE2-CZ 3.53Å; Y412-Y554 WeakPolarHBondContact CE2-OH 3.44Å; Y412-Y554 PolarHBondContact OH-OH 3.28Å; Y412-K558 HydrophobicContact CD2-CB 4.05Å; Y412-K558 HydrophobicContact CD2-CG 4.49Å; Y412-K558 HydrophobicContact CE2-CB 3.72Å; Y412-K558 HydrophobicContact CE2-CD 4.42Å; Y412-K558 HydrophobicContact CE2-CG 3.78Å; Y412-R561 HydrophobicContact CG-CB 4.22Å; Y412-R561 PolarHBondContact OH-NH1 3.23Å
413N92.6Very high94.3Very high87 Ų8741.2 Ų41.247%0.46523%0.233SC..Hα-helixtrans-65-41.1179.5-71.4-19.3000111.9Q409 A410 K416 G417Q409-N413 PolarHBondContact NE2-OD1 3.22Å; Q409-N413 WeakPolarHBondContact O-CB 3.28Å; Q409-N413 VanDerWaalsContact O-CG 3.24Å; Q409-N413 PolarHBondContact O-N 2.99Å; Q409-N413 PolarHBondContact O-ND2 2.88Å; A410-N413 PolarHBondContact O-N 2.84Å; N413-K416 WeakPolarHBondContact O-CB 3.37Å; N413-K416 PolarHBondContact O-N 2.92Å; N413-G417 PolarHBondContact O-N 3.42Å
414T95.9Very high94.5Very high22 Ų2237.4 Ų37.414%0.13521%0.209CC..Hα-helixtrans-62.4-49.6175.5-58.20000110.3P400 F402 A410 D411 K416 G417 V418P400-T414 HydrophobicContact CB-CG2 4.2Å; P400-T414 HydrophobicContact CG-CG2 4.26Å; F402-T414 HydrophobicContact CD1-CG2 3.85Å; F402-T414 HydrophobicContact CD2-CG2 3.97Å; F402-T414 HydrophobicContact CE1-CG2 3.93Å; F402-T414 HydrophobicContact CE2-CG2 4.02Å; F402-T414 HydrophobicContact CG-CG2 3.89Å; F402-T414 HydrophobicContact CZ-CG2 4.02Å; A410-T414 WeakPolarHBondContact O-CB 3.29Å; A410-T414 PolarHBondContact O-N 3.37Å; A410-T414 PolarHBondContact O-OG1 3.3Å; D411-T414 PolarHBondContact O-N 2.83Å; T414-K416 VanDerWaalsContact C-N 3.29Å; T414-K416 PolarHBondContact O-N 3.43Å; T414-G417 PolarHBondContact O-N 3.41Å; T414-G417 VanDerWaalsContact O-N 3.11Å; T414-V418 HydrophobicContact CG2-CG2 4.31Å; T414-V418 WeakPolarHBondContact O-CG2 3.41Å; T414-V418 PolarHBondContact O-N 3.06Å
415A96.8Very high94.9Very high0 Ų031.4 Ų31.40%017%0.17CC..Hα-helixtrans-58.2-40.4177.100000112.3F402 D411 Y412 V418 L419 Y554 F557 F581F402-A415 HydrophobicContact CE1-CB 4.4Å; F402-A415 HydrophobicContact CZ-CB 3.93Å; D411-A415 VanDerWaalsContact O-CB 3.29Å; D411-A415 WeakPolarHBondContact O-CB 3.48Å; D411-A415 PolarHBondContact O-N 3.15Å; Y412-A415 PolarHBondContact O-N 2.89Å; A415-V418 PolarHBondContact O-N 3.15Å; A415-L419 WeakPolarHBondContact O-CB 3.33Å; A415-L419 PolarHBondContact O-N 3.46Å; A415-Y554 HydrophobicContact CB-CD2 4.05Å; A415-F557 HydrophobicContact CB-CD2 3.8Å; A415-F557 HydrophobicContact CB-CE2 4.27Å; A415-F581 HydrophobicContact CB-CE1 4.23Å; A415-F581 HydrophobicContact CB-CE2 4.08Å; A415-F581 HydrophobicContact CB-CZ 3.76Å; A415-F581 WeakPolarHBondContact O-CZ 3.37Å
416K95.3Very high95.2Very high54 Ų5424 Ų2424%0.23514%0.138CC..Hα-helixtrans-58.5-48.1174.3-174177.8172.81740111.4E99 P101 Y412 N413 T414 L419 G420 Y554E99-K416 WeakPolarHBondContact O-CE 3.46Å; E99-K416 PolarHBondContact O-NZ 3.43Å; E99-K416 VanDerWaalsContact O-NZ 3.13Å; P101-K416 HydrophobicContact CG-CG 4.31Å; Y412-K416 WeakPolarHBondContact O-CB 3.33Å; Y412-K416 PolarHBondContact O-N 2.67Å; N413-K416 WeakPolarHBondContact O-CB 3.37Å; N413-K416 PolarHBondContact O-N 2.92Å; T414-K416 VanDerWaalsContact C-N 3.29Å; T414-K416 PolarHBondContact O-N 3.43Å; K416-L419 PolarHBondContact O-N 2.92Å; K416-G420 PolarHBondContact O-N 2.84Å; K416-Y554 HydrophobicContact CB-CE2 3.87Å; K416-Y554 HydrophobicContact CG-CE2 4.41Å
417G94.7Very high95.4Very high35 Ų3524.9 Ų24.936%0.36114%0.138SC..Hα-helixtrans-64.1-44.8179.400000113N413 T414 L419 G420 A421N413-G417 PolarHBondContact O-N 3.42Å; T414-G417 PolarHBondContact O-N 3.41Å; T414-G417 VanDerWaalsContact O-N 3.11Å; G417-L419 PolarHBondContact O-N 2.91Å; G417-G420 PolarHBondContact O-N 3.26Å; G417-A421 PolarHBondContact O-N 3.4Å; G417-A421 VanDerWaalsContact O-N 3.09Å
418V96.7Very high95.5Very high8 Ų822.1 Ų22.15%0.04812%0.123CC..Hα-helixtrans-63.4-41.7176.81790000111.5V399 P400 T414 A415 G420 A421 G422 M550 F581 A585V399-V418 HydrophobicContact CG1-CB 4.27Å; V399-V418 HydrophobicContact CG1-CG1 4.03Å; V399-V418 HydrophobicContact CG1-CG2 3.79Å; P400-V418 HydrophobicContact CG-CG2 3.95Å; P400-V418 WeakPolarHBondContact O-CG2 3.49Å; T414-V418 HydrophobicContact CG2-CG2 4.31Å; T414-V418 WeakPolarHBondContact O-CG2 3.41Å; T414-V418 PolarHBondContact O-N 3.06Å; A415-V418 PolarHBondContact O-N 3.15Å; V418-G420 VanDerWaalsContact C-N 3.32Å; V418-G420 PolarHBondContact O-N 2.99Å; V418-A421 PolarHBondContact O-N 2.73Å; V418-G422 PolarHBondContact O-N 3.39Å; V418-M550 HydrophobicContact CG1-CE 3.76Å; V418-F581 HydrophobicContact CB-CE1 3.67Å; V418-F581 HydrophobicContact CB-CZ 4.26Å; V418-F581 HydrophobicContact CG1-CD1 4.43Å; V418-F581 HydrophobicContact CG1-CE1 3.59Å; V418-F581 HydrophobicContact CG1-CZ 4.35Å; V418-F581 HydrophobicContact CG2-CE1 4.25Å; V418-A585 HydrophobicContact CG1-CB 3.5Å
419L96.4Very high95.7Very high0 Ų021.3 Ų21.30%012%0.119CC..Hα-helixtrans-62.4-40.5173.9-89.8171000111.8P101 A415 K416 G417 A421 G422 Y423 L547 M550 Y554 F581P101-L419 HydrophobicContact CB-CB 3.61Å; P101-L419 HydrophobicContact CB-CD1 4.48Å; P101-L419 HydrophobicContact CG-CB 4.13Å; P101-L419 HydrophobicContact CG-CD1 4.16Å; A415-L419 WeakPolarHBondContact O-CB 3.33Å; A415-L419 PolarHBondContact O-N 3.46Å; K416-L419 PolarHBondContact O-N 2.92Å; G417-L419 PolarHBondContact O-N 2.91Å; L419-A421 VanDerWaalsContact C-N 3.35Å; L419-A421 PolarHBondContact O-N 3.14Å; L419-G422 WeakPolarHBondContact O-CA 3.46Å; L419-G422 PolarHBondContact O-N 3.37Å; L419-G422 VanDerWaalsContact O-N 3.1Å; L419-Y423 HydrophobicContact CB-CD2 4.45Å; L419-Y423 HydrophobicContact CB-CE2 4.44Å; L419-Y423 HydrophobicContact CD2-CE2 4.1Å; L419-Y423 WeakPolarHBondContact O-CD2 3.42Å; L419-Y423 PolarHBondContact O-N 2.82Å; L419-L547 HydrophobicContact CD2-CD2 3.94Å; L419-M550 HydrophobicContact CD2-CB 3.74Å; L419-M550 HydrophobicContact CD2-CE 4.18Å; L419-M550 HydrophobicContact CG-CB 4.48Å; L419-M550 HydrophobicContact CG-CE 4.46Å; L419-Y554 HydrophobicContact CD1-CD1 3.8Å; L419-Y554 HydrophobicContact CD1-CD2 3.85Å; L419-Y554 HydrophobicContact CD1-CG 3.37Å; L419-F581 HydrophobicContact CD1-CE2 4.4Å; L419-F581 HydrophobicContact CD1-CZ 4.43Å; L419-F581 HydrophobicContact CG-CE2 4.25Å; L419-F581 HydrophobicContact CG-CZ 3.94Å
420G95.6Very high95.9Very high1 Ų123 Ų231%0.0112%0.123CC..Hα-helixtrans-55.4-49.317500000112.2P101 F105 K416 G417 V418 G422 Y423 Q424P101-G420 WeakPolarHBondContact O-CA 3.31Å; F105-G420 WeakPolarHBondContact CE2-O 3.24Å; K416-G420 PolarHBondContact O-N 2.84Å; G417-G420 PolarHBondContact O-N 3.26Å; V418-G420 VanDerWaalsContact C-N 3.32Å; V418-G420 PolarHBondContact O-N 2.99Å; G420-G422 VanDerWaalsContact C-N 3.32Å; G420-G422 PolarHBondContact O-N 2.96Å; G420-Y423 PolarHBondContact O-N 3.33Å; G420-Q424 PolarHBondContact O-N 3.21Å
421A95.7Very high96.1Very high5 Ų524.8 Ų24.84%0.04113%0.13CC..Hα-helixtrans-61.3-38.9174.500000112.4P395 V399 G417 V418 L419 Q424 A425P395-A421 HydrophobicContact CB-CB 4.42Å; V399-A421 HydrophobicContact CG2-CB 3.84Å; G417-A421 PolarHBondContact O-N 3.4Å; G417-A421 VanDerWaalsContact O-N 3.09Å; V418-A421 PolarHBondContact O-N 2.73Å; L419-A421 VanDerWaalsContact C-N 3.35Å; L419-A421 PolarHBondContact O-N 3.14Å; A421-Q424 WeakPolarHBondContact O-CB 3.47Å; A421-Q424 PolarHBondContact O-N 3.06Å; A421-A425 PolarHBondContact O-N 3.47Å
422G96.8Very high96.1Very high3 Ų324.8 Ų24.83%0.03113%0.129CC..Hα-helixtrans-63.7-43.6176.100000113.5V418 L419 G420 Q424 A425 L426V418-G422 PolarHBondContact O-N 3.39Å; L419-G422 WeakPolarHBondContact O-CA 3.46Å; L419-G422 PolarHBondContact O-N 3.37Å; L419-G422 VanDerWaalsContact O-N 3.1Å; G420-G422 VanDerWaalsContact C-N 3.32Å; G420-G422 PolarHBondContact O-N 2.96Å; G422-Q424 VanDerWaalsContact C-N 3.34Å; G422-A425 WeakPolarHBondContact O-CB 3.47Å; G422-A425 PolarHBondContact O-N 3.48Å; G422-L426 PolarHBondContact O-N 2.88Å
423Y96.9Very high96.2Very high16 Ų1626 Ų266%0.06314%0.136CC..Hα-helixtrans-68-33.9175.1-76.5-66.8000112.3P101 E102 L419 G420 L426 R427 L547P101-Y423 HydrophobicContact CB-CD2 4Å; P101-Y423 HydrophobicContact CB-CE2 4Å; E102-Y423 HydrophobicContact CB-CD2 4.41Å; E102-Y423 HydrophobicContact CB-CG 4.4Å; E102-Y423 HydrophobicContact CG-CD1 3.57Å; E102-Y423 HydrophobicContact CG-CD2 3.68Å; E102-Y423 HydrophobicContact CG-CE1 3.33Å; E102-Y423 HydrophobicContact CG-CE2 3.49Å; E102-Y423 VanDerWaalsContact CG-CE2 3.49Å; E102-Y423 HydrophobicContact CG-CG 3.7Å; E102-Y423 WeakPolarHBondContact OE1-CE1 3.45Å; E102-Y423 VanDerWaalsContact OE1-CZ 3.27Å; E102-Y423 PolarHBondContact OE1-OH 3.12Å; L419-Y423 HydrophobicContact CB-CD2 4.45Å; L419-Y423 HydrophobicContact CB-CE2 4.44Å; L419-Y423 HydrophobicContact CD2-CE2 4.1Å; L419-Y423 WeakPolarHBondContact O-CD2 3.42Å; L419-Y423 PolarHBondContact O-N 2.82Å; G420-Y423 PolarHBondContact O-N 3.33Å; Y423-L426 HydrophobicContact CD1-CD2 4.41Å; Y423-L426 PolarHBondContact O-N 3.5Å; Y423-R427 WeakPolarHBondContact O-CG 3.05Å; Y423-R427 PolarHBondContact O-N 3.49Å; Y423-L547 HydrophobicContact CD1-CD1 3.85Å; Y423-L547 HydrophobicContact CD1-CD2 4.45Å; Y423-L547 HydrophobicContact CD2-CD2 4.49Å; Y423-L547 HydrophobicContact CE1-CD1 4.17Å; Y423-L547 HydrophobicContact CG-CD1 4.46Å; Y423-L547 HydrophobicContact CG-CD2 4.42Å
424Q96.1Very high96.3Very high11 Ų1126.3 Ų26.35%0.05114%0.138CC..Hα-helixtrans-61.3-46170.1-170.7-1738.700111.5F105 P395 G420 A421 G422 L426 R427 L428F105-Q424 HydrophobicContact CD2-CB 3.81Å; F105-Q424 HydrophobicContact CD2-CG 4.1Å; F105-Q424 HydrophobicContact CE2-CB 3.74Å; F105-Q424 HydrophobicContact CE2-CG 4.19Å; P395-Q424 HydrophobicContact CG-CB 4.38Å; P395-Q424 HydrophobicContact CG-CG 4.14Å; G420-Q424 PolarHBondContact O-N 3.21Å; A421-Q424 WeakPolarHBondContact O-CB 3.47Å; A421-Q424 PolarHBondContact O-N 3.06Å; G422-Q424 VanDerWaalsContact C-N 3.34Å; Q424-L426 VanDerWaalsContact C-N 3.34Å; Q424-L426 PolarHBondContact O-N 3.38Å; Q424-R427 PolarHBondContact O-N 3.09Å; Q424-L428 HydrophobicContact CG-CD1 4.14Å; Q424-L428 WeakPolarHBondContact O-CG 3.41Å; Q424-L428 PolarHBondContact O-N 2.66Å
425A97Very high96.3Very high0 Ų025.8 Ų25.80%014%0.137CC..Hα-helixtrans-60-42.3175.900000112P395 A421 G422 L428 A429 L588 F592P395-A425 HydrophobicContact CB-CB 4.24Å; P395-A425 HydrophobicContact CG-CB 4.02Å; A421-A425 PolarHBondContact O-N 3.47Å; G422-A425 WeakPolarHBondContact O-CB 3.47Å; G422-A425 PolarHBondContact O-N 3.48Å; A425-L428 PolarHBondContact O-N 3.38Å; A425-A429 VanDerWaalsContact O-CB 3.3Å; A425-A429 WeakPolarHBondContact O-CB 3.49Å; A425-A429 PolarHBondContact O-N 3.29Å; A425-L588 HydrophobicContact CB-CD2 3.87Å; A425-F592 HydrophobicContact CB-CB 4.2Å; A425-F592 HydrophobicContact CB-CD1 4.27Å; A425-F592 HydrophobicContact CB-CD2 3.93Å; A425-F592 HydrophobicContact CB-CE2 4.42Å; A425-F592 HydrophobicContact CB-CG 3.85Å; A425-F592 WeakPolarHBondContact O-CD2 3.39Å; A425-F592 WeakPolarHBondContact O-CE2 3.45Å
426L97.7Very high96.2Very high6 Ų626.6 Ų26.63%0.03114%0.141CC..Hα-helixtrans-60.7-45.8175176.466.2000112.4G422 Y423 Q424 A429 R430 I540 I543 L547G422-L426 PolarHBondContact O-N 2.88Å; Y423-L426 HydrophobicContact CD1-CD2 4.41Å; Y423-L426 PolarHBondContact O-N 3.5Å; Q424-L426 VanDerWaalsContact C-N 3.34Å; Q424-L426 PolarHBondContact O-N 3.38Å; L426-A429 PolarHBondContact O-N 2.89Å; L426-R430 WeakPolarHBondContact O-CG 3.5Å; L426-R430 PolarHBondContact O-N 3.26Å; L426-R430 VanDerWaalsContact O-N 3.1Å; L426-I540 HydrophobicContact CD1-CG2 3.9Å; L426-I543 HydrophobicContact CB-CG2 3.77Å; L426-I543 HydrophobicContact CD1-CB 4.34Å; L426-I543 HydrophobicContact CD1-CG2 3.82Å; L426-I543 HydrophobicContact CG-CG2 4.36Å; L426-L547 HydrophobicContact CB-CD1 3.78Å; L426-L547 HydrophobicContact CD2-CD1 3.65Å; L426-L547 HydrophobicContact CG-CD1 4.25Å
427R96.4Very high96.2Very high53 Ų5325.4 Ų25.420%0.214%0.136CC..Hα-helixtrans-62.2-48177.5-73.9-169.3-57.5-92.56.1111.3E102 Q268 Y423 Q424 A429 R430 V431E102-R427 PolarHBondContact O-NH1 3.04Å; Q268-R427 VanDerWaalsContact CD-NE 3.34Å; Q268-R427 VanDerWaalsContact NE2-CZ 3.32Å; Y423-R427 WeakPolarHBondContact O-CG 3.05Å; Y423-R427 PolarHBondContact O-N 3.49Å; Q424-R427 PolarHBondContact O-N 3.09Å; R427-A429 VanDerWaalsContact C-N 3.33Å; R427-A429 PolarHBondContact O-N 3.31Å; R427-R430 WeakPolarHBondContact O-CB 3.34Å; R427-R430 PolarHBondContact O-N 2.92Å; R427-V431 WeakPolarHBondContact O-CG2 3.26Å; R427-V431 PolarHBondContact O-N 3.24Å
428L96.8Very high96.3Very high24 Ų2424.2 Ų24.213%0.12612%0.122CC..Hα-helixtrans-60.5-43.8177.3-71.2171.9000111L390 F392 P395 Q424 A425 R430 V431 L432 F592L390-L428 HydrophobicContact CD2-CD2 4.23Å; F392-L428 HydrophobicContact CB-CD1 4.17Å; F392-L428 HydrophobicContact CB-CD2 3.62Å; F392-L428 HydrophobicContact CD2-CD1 3.69Å; F392-L428 HydrophobicContact CD2-CD2 4.38Å; F392-L428 HydrophobicContact CE2-CD1 4.42Å; F392-L428 HydrophobicContact CG-CD1 4.15Å; F392-L428 HydrophobicContact CG-CD2 3.99Å; P395-L428 HydrophobicContact CG-CD1 3.81Å; Q424-L428 HydrophobicContact CG-CD1 4.14Å; Q424-L428 WeakPolarHBondContact O-CG 3.41Å; Q424-L428 PolarHBondContact O-N 2.66Å; A425-L428 PolarHBondContact O-N 3.38Å; L428-R430 VanDerWaalsContact C-N 3.29Å; L428-R430 PolarHBondContact O-N 2.98Å; L428-V431 PolarHBondContact O-N 3.35Å; L428-V431 VanDerWaalsContact O-N 3.17Å; L428-L432 WeakPolarHBondContact O-CB 3.4Å; L428-L432 WeakPolarHBondContact O-CG 3.38Å; L428-L432 PolarHBondContact O-N 2.86Å; L428-F592 HydrophobicContact CB-CE2 3.66Å; L428-F592 HydrophobicContact CB-CZ 3.86Å; L428-F592 HydrophobicContact CD1-CZ 4Å
429A97.8Very high96.3Very high2 Ų223.9 Ų23.92%0.01712%0.119CC..Hα-helixtrans-56.1-42.8176.300000112.4A425 L426 R427 L432 L433 I540 I543 F592 C596A425-A429 VanDerWaalsContact O-CB 3.3Å; A425-A429 WeakPolarHBondContact O-CB 3.49Å; A425-A429 PolarHBondContact O-N 3.29Å; L426-A429 PolarHBondContact O-N 2.89Å; R427-A429 VanDerWaalsContact C-N 3.33Å; R427-A429 PolarHBondContact O-N 3.31Å; A429-L432 PolarHBondContact O-N 2.99Å; A429-L433 WeakPolarHBondContact O-CB 3.48Å; A429-L433 PolarHBondContact O-N 2.91Å; A429-I540 HydrophobicContact CB-CG1 4.31Å; A429-I543 HydrophobicContact CB-CD1 3.88Å; A429-F592 HydrophobicContact CB-CD2 4.19Å; A429-F592 HydrophobicContact CB-CE2 4.47Å; A429-C596 HydrophobicContact CB-CB 4.25Å
430R96.9Very high96.3Very high108 Ų10824.4 Ų24.441%0.40812%0.122SC..Hα-helixtrans-61.1-51.5174.3-71.9171-178.3174.22.9111.7L426 R427 L428 L432 L433 D434 I540L426-R430 WeakPolarHBondContact O-CG 3.5Å; L426-R430 PolarHBondContact O-N 3.26Å; L426-R430 VanDerWaalsContact O-N 3.1Å; R427-R430 WeakPolarHBondContact O-CB 3.34Å; R427-R430 PolarHBondContact O-N 2.92Å; L428-R430 VanDerWaalsContact C-N 3.29Å; L428-R430 PolarHBondContact O-N 2.98Å; R430-L432 VanDerWaalsContact C-N 3.3Å; R430-L432 PolarHBondContact O-N 3.33Å; R430-L433 PolarHBondContact O-N 2.95Å; R430-L433 VanDerWaalsContact O-N 3.12Å; R430-D434 WeakPolarHBondContact O-CB 3.48Å; R430-D434 VanDerWaalsContact O-CG 3.25Å; R430-D434 PolarHBondContact O-N 3.46Å; R430-I540 HydrophobicContact CB-CD1 4.46Å; R430-I540 HydrophobicContact CG-CD1 3.85Å; R430-I540 HydrophobicContact CG-CG1 4.44Å; R430-I540 HydrophobicContact CG-CG2 4.27Å
431V95.5Very high96.2Very high74 Ų7427.8 Ų27.845%0.44814%0.135SC..Hα-helixtrans-61.7-38.7-179.9-179.60000111.8L390 R427 L428 G435L390-V431 HydrophobicContact CD1-CG1 4.32Å; L390-V431 HydrophobicContact CD2-CB 4.23Å; L390-V431 HydrophobicContact CD2-CG1 3.63Å; R427-V431 WeakPolarHBondContact O-CG2 3.26Å; R427-V431 PolarHBondContact O-N 3.24Å; L428-V431 PolarHBondContact O-N 3.35Å; L428-V431 VanDerWaalsContact O-N 3.17Å; V431-G435 PolarHBondContact O-N 2.93Å
432L96.3Very high96.2Very high1 Ų127.6 Ų27.61%0.00513%0.133CC..Hα-helixtrans-67.2-36.6176.5-66.3178.4000112L390 F392 L428 A429 R430 Q436 F592 V597 Y600L390-L432 HydrophobicContact CB-CD2 4.22Å; L390-L432 HydrophobicContact CD2-CD2 3.94Å; F392-L432 HydrophobicContact CE1-CD1 4.32Å; F392-L432 HydrophobicContact CE1-CD2 4.06Å; F392-L432 HydrophobicContact CZ-CD1 4.33Å; L428-L432 WeakPolarHBondContact O-CB 3.4Å; L428-L432 WeakPolarHBondContact O-CG 3.38Å; L428-L432 PolarHBondContact O-N 2.86Å; A429-L432 PolarHBondContact O-N 2.99Å; R430-L432 VanDerWaalsContact C-N 3.3Å; R430-L432 PolarHBondContact O-N 3.33Å; L432-Q436 WeakPolarHBondContact O-CG 3.5Å; L432-Q436 PolarHBondContact O-N 2.87Å; L432-Q436 PolarHBondContact O-NE2 2.94Å; L432-F592 HydrophobicContact CD1-CE2 4.4Å; L432-V597 HydrophobicContact CD1-CG2 4.09Å; L432-Y600 HydrophobicContact CB-CD2 4.07Å; L432-Y600 HydrophobicContact CB-CG 4.22Å; L432-Y600 HydrophobicContact CD2-CD1 3.68Å; L432-Y600 HydrophobicContact CD2-CD2 3.88Å; L432-Y600 HydrophobicContact CD2-CE1 3.8Å; L432-Y600 HydrophobicContact CD2-CE2 4.03Å; L432-Y600 HydrophobicContact CD2-CG 3.71Å; L432-Y600 HydrophobicContact CG-CG 4.38Å; L432-Y600 WeakPolarHBondContact O-CD2 3.41Å
433L95.9Very high96.1Very high35 Ų3527.4 Ų27.418%0.18313%0.131CC..Hα-helixtrans-70.3-47.5175.1-171.269.4000111.3A429 R430 G435 Q436 E437 V534 D537 I540A429-L433 WeakPolarHBondContact O-CB 3.48Å; A429-L433 PolarHBondContact O-N 2.91Å; R430-L433 PolarHBondContact O-N 2.95Å; R430-L433 VanDerWaalsContact O-N 3.12Å; L433-G435 VanDerWaalsContact C-N 3.27Å; L433-G435 PolarHBondContact O-N 3.46Å; L433-Q436 WeakPolarHBondContact O-CB 3.39Å; L433-Q436 PolarHBondContact O-N 3.46Å; L433-E437 PolarHBondContact O-N 2.9Å; L433-V534 HydrophobicContact CD1-CG1 3.74Å; L433-V534 HydrophobicContact CG-CG1 4.47Å; L433-D537 HydrophobicContact CD1-CB 4.32Å; L433-I540 HydrophobicContact CB-CD1 4.14Å; L433-I540 HydrophobicContact CD2-CD1 3.4Å; L433-I540 HydrophobicContact CD2-CG1 4.44Å; L433-I540 HydrophobicContact CG-CD1 4.41Å
434D95.3Very high96Very high95 Ų9530.2 Ų30.251%0.50815%0.145SC..Hα-helixtrans-58.9-41.1177-67.4-24.3000110.9R430 Q436 E437 L438R430-D434 WeakPolarHBondContact O-CB 3.48Å; R430-D434 VanDerWaalsContact O-CG 3.25Å; R430-D434 PolarHBondContact O-N 3.46Å; D434-Q436 VanDerWaalsContact C-N 3.31Å; D434-Q436 PolarHBondContact O-N 3.37Å; D434-E437 PolarHBondContact O-N 2.99Å; D434-L438 WeakPolarHBondContact O-CB 3.47Å; D434-L438 VanDerWaalsContact O-CG 3.31Å; D434-L438 WeakPolarHBondContact O-CG 3.42Å; D434-L438 PolarHBondContact O-N 3.44Å
435G95.6Very high95.9Very high11 Ų1131.5 Ų31.511%0.11315%0.149CC..Hα-helixtrans-60-37.3174.100000113.2V431 L433 M439V431-G435 PolarHBondContact O-N 2.93Å; L433-G435 VanDerWaalsContact C-N 3.27Å; L433-G435 PolarHBondContact O-N 3.46Å; G435-M439 WeakPolarHBondContact O-CB 3.03Å; G435-M439 VanDerWaalsContact O-CG 3.27Å; G435-M439 WeakPolarHBondContact O-CG 3.33Å; G435-M439 PolarHBondContact O-N 3.33Å
436Q95.9Very high95.8Very high17 Ų1731.9 Ų31.98%0.07915%0.151CC..Hα-helixtrans-67.6-45.3175.3-71.1173.678.800112.1L432 L433 D434 L438 M439 L440 V534 Y600L432-Q436 WeakPolarHBondContact O-CG 3.5Å; L432-Q436 PolarHBondContact O-N 2.87Å; L432-Q436 PolarHBondContact O-NE2 2.94Å; L433-Q436 WeakPolarHBondContact O-CB 3.39Å; L433-Q436 PolarHBondContact O-N 3.46Å; D434-Q436 VanDerWaalsContact C-N 3.31Å; D434-Q436 PolarHBondContact O-N 3.37Å; Q436-L438 VanDerWaalsContact C-N 3.34Å; Q436-L438 PolarHBondContact O-N 3.12Å; Q436-M439 HydrophobicContact CB-CE 4.32Å; Q436-M439 HydrophobicContact CG-CE 3.89Å; Q436-M439 PolarHBondContact O-N 3.35Å; Q436-L440 WeakPolarHBondContact O-CG 3.31Å; Q436-L440 PolarHBondContact O-N 3.47Å; Q436-V534 HydrophobicContact CB-CG2 4.31Å; Q436-Y600 HydrophobicContact CG-CD2 3.89Å
437E95.3Very high95.5Very high28 Ų2831.6 Ų31.613%0.13115%0.15CC..Hα-helixtrans-61.1-43.3176.4175.461.9-161.300111.1L433 D434 L440 R441 H535L433-E437 PolarHBondContact O-N 2.9Å; D434-E437 PolarHBondContact O-N 2.99Å; E437-L440 PolarHBondContact O-N 3.31Å; E437-R441 VanDerWaalsContact O-CB 3.23Å; E437-R441 WeakPolarHBondContact O-CB 3.43Å; E437-R441 PolarHBondContact O-N 2.87Å; E437-R441 IonicContact OE1-CZ 3.96Å; E437-R441 IonicContact OE1-NE 3.69Å; E437-R441 IonicContact OE1-NH2 2.72Å; E437-R441 PolarHBondContact OE1-NH2 3.21Å; E437-H535 IonicContact OE2-CE1 2.77Å; E437-H535 IonicContact OE2-NE2 2.71Å; E437-H535 PolarHBondContact OE2-NE2 3.03Å
438L96.3Very high95.3Very high11 Ų1132.3 Ų32.36%0.05816%0.155CC..Hα-helixtrans-65.4-39.8176.3-70176.2000112.7F314 P378 D434 Q436 G442F314-L438 HydrophobicContact CD1-CB 3.95Å; F314-L438 HydrophobicContact CD2-CB 4Å; F314-L438 HydrophobicContact CD2-CD1 3.69Å; F314-L438 HydrophobicContact CD2-CG 4.48Å; F314-L438 HydrophobicContact CE1-CB 3.72Å; F314-L438 HydrophobicContact CE2-CB 3.79Å; F314-L438 HydrophobicContact CE2-CD1 4.02Å; F314-L438 HydrophobicContact CG-CB 4.08Å; F314-L438 HydrophobicContact CG-CD1 4.13Å; F314-L438 HydrophobicContact CZ-CB 3.64Å; P378-L438 HydrophobicContact CG-CD1 4.32Å; P378-L438 HydrophobicContact CG-CD2 3.8Å; D434-L438 WeakPolarHBondContact O-CB 3.47Å; D434-L438 VanDerWaalsContact O-CG 3.31Å; D434-L438 WeakPolarHBondContact O-CG 3.42Å; D434-L438 PolarHBondContact O-N 3.44Å; Q436-L438 VanDerWaalsContact C-N 3.34Å; Q436-L438 PolarHBondContact O-N 3.12Å; L438-G442 PolarHBondContact O-N 3.14Å
439M96.1Very high95.1Very high1 Ų133.5 Ų33.51%0.00516%0.164CC..Hα-helixtrans-59.3-49.8173.6-78.7-172.2-64.800111.5F314 A319 G435 Q436 L443 Y600 L604 H607F314-M439 HydrophobicContact CE1-CG 4.37Å; F314-M439 HydrophobicContact CZ-CG 3.88Å; A319-M439 HydrophobicContact CB-CG 3.79Å; A319-M439 HydrophobicContact CB-SD 3.42Å; A319-M439 WeakPolarHBondContact CB-SD 3.27Å; G435-M439 WeakPolarHBondContact O-CB 3.03Å; G435-M439 VanDerWaalsContact O-CG 3.27Å; G435-M439 WeakPolarHBondContact O-CG 3.33Å; G435-M439 PolarHBondContact O-N 3.33Å; Q436-M439 HydrophobicContact CB-CE 4.32Å; Q436-M439 HydrophobicContact CG-CE 3.89Å; Q436-M439 PolarHBondContact O-N 3.35Å; M439-L443 WeakPolarHBondContact O-CB 3.45Å; M439-L443 PolarHBondContact O-N 2.86Å; M439-Y600 HydrophobicContact CE-CE2 4.16Å; M439-L604 HydrophobicContact SD-CD1 4.04Å; M439-H607 HydrophobicContact SD-CB 3.79Å; M439-H607 VanDerWaalsContact SD-CD2 3.58Å; M439-H607 VanDerWaalsContact SD-CG 3.54Å
440L95.9Very high94.9Very high10 Ų1034 Ų345%0.05217%0.166CC..Hα-helixtrans-65.5-44.7-178.6-68.3173.6000111.6Q436 E437 L443 H444 L527 R531 V534Q436-L440 WeakPolarHBondContact O-CG 3.31Å; Q436-L440 PolarHBondContact O-N 3.47Å; E437-L440 PolarHBondContact O-N 3.31Å; L440-L443 PolarHBondContact O-N 2.88Å; L440-H444 WeakPolarHBondContact O-CB 3.47Å; L440-H444 PolarHBondContact O-N 3.35Å; L440-L527 HydrophobicContact CD2-CD2 3.59Å; L440-R531 HydrophobicContact CD1-CB 4.23Å; L440-V534 HydrophobicContact CD1-CG2 3.93Å
441R95.3Very high94.8Very high73 Ų7329.7 Ų29.728%0.27515%0.151SC..Hα-helixtrans-62.6-47.4177.3-174.1-176.6-57.6169.15.6112S376 E437 L443 H444 W445S376-R441 PolarHBondContact O-NH1 2.94Å; E437-R441 VanDerWaalsContact O-CB 3.23Å; E437-R441 WeakPolarHBondContact O-CB 3.43Å; E437-R441 PolarHBondContact O-N 2.87Å; E437-R441 IonicContact OE1-CZ 3.96Å; E437-R441 IonicContact OE1-NE 3.69Å; E437-R441 IonicContact OE1-NH2 2.72Å; E437-R441 PolarHBondContact OE1-NH2 3.21Å; R441-L443 PolarHBondContact O-N 3.49Å; R441-H444 WeakPolarHBondContact O-CB 3.4Å; R441-H444 PolarHBondContact O-N 2.83Å; R441-W445 HydrophobicContact CG-CD2 4.22Å; R441-W445 HydrophobicContact CG-CH2 4.27Å; R441-W445 HydrophobicContact CG-CZ2 3.75Å; R441-W445 PolarHBondContact O-N 3.22Å
442G95.4Very high94.7Very high0 Ų027.2 Ų27.20%014%0.138CC..Hα-helixtrans-62.8-42.2178.700000112.3L438 W445 V446L438-G442 PolarHBondContact O-N 3.14Å; G442-W445 PolarHBondContact O-N 3.21Å; G442-V446 WeakPolarHBondContact O-CG2 3.36Å; G442-V446 PolarHBondContact O-N 3.4Å
443L94.7Very high94.6Very high0 Ų029.5 Ų29.50%015%0.152CC..Hα-helixtrans-60.9-45.8173.5-85.9178.9000112M439 L440 R441 W445 V446 M447 L527 H607 R610 M611 V614M439-L443 WeakPolarHBondContact O-CB 3.45Å; M439-L443 PolarHBondContact O-N 2.86Å; L440-L443 PolarHBondContact O-N 2.88Å; R441-L443 PolarHBondContact O-N 3.49Å; L443-W445 VanDerWaalsContact C-N 3.32Å; L443-W445 PolarHBondContact O-N 3.24Å; L443-V446 PolarHBondContact O-N 2.89Å; L443-M447 WeakPolarHBondContact O-CB 3.38Å; L443-M447 VanDerWaalsContact O-CG 3.24Å; L443-M447 WeakPolarHBondContact O-CG 3.34Å; L443-M447 PolarHBondContact O-N 2.76Å; L443-L527 HydrophobicContact CB-CD1 3.97Å; L443-L527 HydrophobicContact CB-CD2 4.16Å; L443-L527 HydrophobicContact CD1-CD2 3.91Å; L443-H607 WeakPolarHBondContact CD1-ND1 3.3Å; L443-R610 HydrophobicContact CD1-CB 3.86Å; L443-M611 HydrophobicContact CD2-CG 4.04Å; L443-M611 HydrophobicContact CD2-SD 3.42Å; L443-M611 WeakPolarHBondContact CD2-SD 3.48Å; L443-M611 HydrophobicContact CG-SD 4.38Å; L443-V614 HydrophobicContact CD2-CG2 4.1Å
444H94.6Very high94.5Very high75 Ų7527.8 Ų27.835%0.34714%0.143SC..Hα-helixtrans-57-46.6177.517561.2000111.5L440 R441 V446 M447 E448L440-H444 WeakPolarHBondContact O-CB 3.47Å; L440-H444 PolarHBondContact O-N 3.35Å; R441-H444 WeakPolarHBondContact O-CB 3.4Å; R441-H444 PolarHBondContact O-N 2.83Å; H444-V446 PolarHBondContact O-N 2.7Å; H444-M447 PolarHBondContact O-N 3.48Å; H444-E448 IonicContact CE1-OE1 3.33Å; H444-E448 PolarHBondContact O-N 2.86Å
445W94.3Very high94.5Very high37 Ų3728.9 Ų28.914%0.1414%0.14CC..Hα-helixtrans-61.3-45.8176.9-67.1-15.9000113.1L353 R441 G442 L443 M447 E448 V449L353-W445 HydrophobicContact CB-CE3 4.37Å; L353-W445 HydrophobicContact CD2-CB 4.02Å; R441-W445 HydrophobicContact CG-CD2 4.22Å; R441-W445 HydrophobicContact CG-CH2 4.27Å; R441-W445 HydrophobicContact CG-CZ2 3.75Å; R441-W445 PolarHBondContact O-N 3.22Å; G442-W445 PolarHBondContact O-N 3.21Å; L443-W445 VanDerWaalsContact C-N 3.32Å; L443-W445 PolarHBondContact O-N 3.24Å; W445-M447 PolarHBondContact O-N 2.93Å; W445-E448 PolarHBondContact O-N 2.99Å; W445-V449 WeakPolarHBondContact O-CG2 3.42Å; W445-V449 PolarHBondContact O-N 2.84Å
446V93.6Very high94.5Very high8 Ų837 Ų375%0.04817%0.167CC..Hα-helixtrans-61.4-39.2177.3174.40000110.7L316 L353 F382 G442 L443 H444 V449 L450 V614L316-V446 HydrophobicContact CD2-CG2 3.83Å; L353-V446 HydrophobicContact CD1-CG2 3.99Å; L353-V446 HydrophobicContact CD2-CG2 4.38Å; F382-V446 HydrophobicContact CD2-CG1 4.19Å; F382-V446 HydrophobicContact CD2-CG2 3.72Å; F382-V446 HydrophobicContact CE2-CG1 3.85Å; F382-V446 HydrophobicContact CE2-CG2 4.18Å; F382-V446 HydrophobicContact CG-CG2 4.41Å; F382-V446 HydrophobicContact CZ-CG1 4.38Å; G442-V446 WeakPolarHBondContact O-CG2 3.36Å; G442-V446 PolarHBondContact O-N 3.4Å; L443-V446 PolarHBondContact O-N 2.89Å; H444-V446 PolarHBondContact O-N 2.7Å; V446-V449 PolarHBondContact O-N 2.81Å; V446-L450 HydrophobicContact CG1-CD1 4.24Å; V446-L450 HydrophobicContact CG1-CG 4.43Å; V446-L450 WeakPolarHBondContact O-CG 3.41Å; V446-L450 PolarHBondContact O-N 2.77Å; V446-V614 HydrophobicContact CG1-CG1 3.44Å; V446-V614 VanDerWaalsContact CG1-CG1 3.44Å
447M92.6Very high94.3Very high0 Ų037.2 Ų37.20%017%0.17CC..Hα-helixtrans-66.5-40.7177.7-72.8-179.758.600112.9L443 H444 W445 V449 L450 Q451 L520 L523 S524 L527 V614L443-M447 WeakPolarHBondContact O-CB 3.38Å; L443-M447 VanDerWaalsContact O-CG 3.24Å; L443-M447 WeakPolarHBondContact O-CG 3.34Å; L443-M447 PolarHBondContact O-N 2.76Å; H444-M447 PolarHBondContact O-N 3.48Å; W445-M447 PolarHBondContact O-N 2.93Å; M447-V449 VanDerWaalsContact C-N 3.31Å; M447-V449 PolarHBondContact O-N 3.01Å; M447-L450 PolarHBondContact O-N 2.73Å; M447-Q451 WeakPolarHBondContact O-CB 3.4Å; M447-Q451 WeakPolarHBondContact O-CG 3.46Å; M447-Q451 PolarHBondContact O-N 3.43Å; M447-L520 HydrophobicContact CE-CD2 4.47Å; M447-L520 WeakPolarHBondContact CE-O 3.26Å; M447-L523 HydrophobicContact CE-CB 3.71Å; M447-L523 HydrophobicContact CE-CD2 3.95Å; M447-L523 HydrophobicContact CE-CG 3.84Å; M447-L523 HydrophobicContact SD-CB 4.42Å; M447-L523 HydrophobicContact SD-CD2 3.71Å; M447-L523 HydrophobicContact SD-CG 3.88Å; M447-S524 VanDerWaalsContact CE-N 3.27Å; M447-L527 HydrophobicContact CE-CD1 4.3Å; M447-L527 HydrophobicContact SD-CD1 3.24Å; M447-L527 WeakPolarHBondContact SD-CD1 3.47Å; M447-L527 HydrophobicContact SD-CG 4.42Å; M447-V614 HydrophobicContact CG-CG2 4.22Å
448E92.3Very high94.3Very high68 Ų6836.1 Ų36.132%0.31817%0.165SC..Hα-helixtrans-61-40.5173.5-75.1-56.4137.600111.9H444 W445 Q451 A452H444-E448 IonicContact CE1-OE1 3.33Å; H444-E448 PolarHBondContact O-N 2.86Å; W445-E448 PolarHBondContact O-N 2.99Å; E448-Q451 PolarHBondContact O-N 3.08Å; E448-A452 WeakPolarHBondContact O-CB 3.44Å; E448-A452 PolarHBondContact O-N 3.4Å
449V92.7Very high94.2Very high50 Ų5040.5 Ų40.530%0.30319%0.185SC..Hα-helixtrans-62.8-43.6174.2172.50000111.4L353 W445 V446 M447 A452 T453L353-V449 HydrophobicContact CD2-CG2 3.92Å; W445-V449 WeakPolarHBondContact O-CG2 3.42Å; W445-V449 PolarHBondContact O-N 2.84Å; V446-V449 PolarHBondContact O-N 2.81Å; M447-V449 VanDerWaalsContact C-N 3.31Å; M447-V449 PolarHBondContact O-N 3.01Å; V449-A452 PolarHBondContact O-N 3.22Å; V449-T453 PolarHBondContact O-N 2.83Å; V449-T453 PolarHBondContact O-OG1 3.46Å
450L93.4Very high94.1Very high11 Ų1143.5 Ų43.56%0.05820%0.203CC..Hα-helixtrans-66.3-42.2177.1-68.6177.3000111.9V446 M447 A452 T453 C454 L520 V614 T617 R618 L621V446-L450 HydrophobicContact CG1-CD1 4.24Å; V446-L450 HydrophobicContact CG1-CG 4.43Å; V446-L450 WeakPolarHBondContact O-CG 3.41Å; V446-L450 PolarHBondContact O-N 2.77Å; M447-L450 PolarHBondContact O-N 2.73Å; L450-A452 PolarHBondContact O-N 3.45Å; L450-T453 WeakPolarHBondContact O-CA 3.12Å; L450-T453 WeakPolarHBondContact O-CB 3.27Å; L450-T453 PolarHBondContact O-N 3.49Å; L450-T453 VanDerWaalsContact O-N 3.14Å; L450-C454 PolarHBondContact O-N 3.31Å; L450-C454 PolarHBondContact O-SG 2.78Å; L450-C454 VanDerWaalsContact O-SG 3.4Å; L450-L520 HydrophobicContact CB-CD1 3.83Å; L450-L520 HydrophobicContact CD1-CD2 4.26Å; L450-V614 HydrophobicContact CD1-CG1 3.94Å; L450-T617 HydrophobicContact CD1-CG2 4.27Å; L450-R618 HydrophobicContact CD2-CB 3.95Å; L450-R618 HydrophobicContact CD2-CG 4.18Å; L450-L621 HydrophobicContact CB-CD1 4.45Å; L450-L621 HydrophobicContact CD2-CD1 4.19Å
451Q94.2Very high93.9Very high19 Ų1943 Ų439%0.08920%0.201CC..Hα-helixtrans-62.5-42.5174.8-74.8-168.66.900111.9M447 E448 T453 C454 R455 L520M447-Q451 WeakPolarHBondContact O-CB 3.4Å; M447-Q451 WeakPolarHBondContact O-CG 3.46Å; M447-Q451 PolarHBondContact O-N 3.43Å; E448-Q451 PolarHBondContact O-N 3.08Å; Q451-T453 PolarHBondContact O-N 3.17Å; Q451-C454 WeakPolarHBondContact O-CB 3.41Å; Q451-C454 PolarHBondContact O-N 3.29Å; Q451-R455 WeakPolarHBondContact O-CG 3.38Å; Q451-R455 PolarHBondContact O-N 2.98Å; Q451-L520 HydrophobicContact CG-CB 4.17Å; Q451-L520 HydrophobicContact CG-CD1 4.27Å
452A93.3Very high93.8Very high22 Ų2245.4 Ų45.418%0.18221%0.21CC..Hα-helixtrans-61.3-36.917400000111.5E448 V449 L450 R455 R456E448-A452 WeakPolarHBondContact O-CB 3.44Å; E448-A452 PolarHBondContact O-N 3.4Å; V449-A452 PolarHBondContact O-N 3.22Å; L450-A452 PolarHBondContact O-N 3.45Å; A452-R455 PolarHBondContact O-N 3.04Å; A452-R456 WeakPolarHBondContact O-CG 3.35Å; A452-R456 PolarHBondContact O-N 3.24Å
453T93.3Very high93.7Very high48 Ų4848.7 Ų48.729%0.29423%0.23SC..Hα-helixtrans-64.8-46174.1-55.20000111.2V449 L450 Q451 R455 R456 T457V449-T453 PolarHBondContact O-N 2.83Å; V449-T453 PolarHBondContact O-OG1 3.46Å; L450-T453 WeakPolarHBondContact O-CA 3.12Å; L450-T453 WeakPolarHBondContact O-CB 3.27Å; L450-T453 PolarHBondContact O-N 3.49Å; L450-T453 VanDerWaalsContact O-N 3.14Å; Q451-T453 PolarHBondContact O-N 3.17Å; T453-R455 VanDerWaalsContact C-N 3.35Å; T453-R455 PolarHBondContact O-N 3.32Å; T453-R456 PolarHBondContact O-N 2.93Å; T453-T457 PolarHBondContact O-N 3.05Å; T453-T457 PolarHBondContact O-OG1 2.93Å
454C95.1Very high93.5Very high0 Ų049.5 Ų49.50%024%0.235CC..Hα-helixtrans-55.4-49.2173.6-66.70000111.6L450 Q451 R456 T457 L458 I513 Q517 L621L450-C454 PolarHBondContact O-N 3.31Å; L450-C454 PolarHBondContact O-SG 2.78Å; L450-C454 VanDerWaalsContact O-SG 3.4Å; Q451-C454 WeakPolarHBondContact O-CB 3.41Å; Q451-C454 PolarHBondContact O-N 3.29Å; C454-R456 PolarHBondContact O-N 3.49Å; C454-T457 PolarHBondContact O-N 2.85Å; C454-L458 WeakPolarHBondContact O-CB 3.35Å; C454-L458 WeakPolarHBondContact O-CG 3.36Å; C454-L458 PolarHBondContact O-N 2.92Å; C454-I513 HydrophobicContact CB-CG2 3.71Å; C454-Q517 HydrophobicContact CB-CB 4.34Å; C454-L621 VanDerWaalsContact SG-CD1 3.55Å; C454-L621 VanDerWaalsContact SG-CD2 3.58Å
455R95Very high93.3Very high117 Ų11748 Ų4844%0.44223%0.23SC..Hα-helixtrans-58-47.3179.4-72.3-173.5-73.5-103.63.7111.8Q451 A452 T453 E459Q451-R455 WeakPolarHBondContact O-CG 3.38Å; Q451-R455 PolarHBondContact O-N 2.98Å; A452-R455 PolarHBondContact O-N 3.04Å; T453-R455 VanDerWaalsContact C-N 3.35Å; T453-R455 PolarHBondContact O-N 3.32Å; R455-E459 PolarHBondContact O-N 3.41Å; R455-E459 VanDerWaalsContact O-N 3.1Å
456R94.4Very high93.1Very high181 Ų18152 Ų5268%0.68325%0.253SS*.Hα-helixtrans-64.2-46.2178.5-71.7174-171.8165.22.7112.1A452 T453 C454 E459 V460A452-R456 WeakPolarHBondContact O-CG 3.35Å; A452-R456 PolarHBondContact O-N 3.24Å; T453-R456 PolarHBondContact O-N 2.93Å; C454-R456 PolarHBondContact O-N 3.49Å; R456-E459 PolarHBondContact O-N 3.5Å; R456-V460 WeakPolarHBondContact O-CG2 3.48Å; R456-V460 PolarHBondContact O-N 2.83Å; R456-V460 VanDerWaalsContact O-N 3.08Å
457T93.1Very high92.8Very high22 Ų2256.2 Ų56.214%0.13527%0.269CS..Hα-helixtrans-66.3-39.3-179.9-52.80000111.6T453 C454 E459 V460 V461 I513 V628T453-T457 PolarHBondContact O-N 3.05Å; T453-T457 PolarHBondContact O-OG1 2.93Å; C454-T457 PolarHBondContact O-N 2.85Å; T457-E459 VanDerWaalsContact C-N 3.3Å; T457-E459 PolarHBondContact O-N 3.34Å; T457-V460 PolarHBondContact O-N 2.99Å; T457-V461 WeakPolarHBondContact O-CG2 3.43Å; T457-V461 PolarHBondContact O-N 3.47Å; T457-I513 HydrophobicContact CG2-CD1 3.58Å; T457-V628 HydrophobicContact CG2-CG2 4.41Å
458L94.3Very high92.5Very high5 Ų556.3 Ų56.33%0.02627%0.269CS..Hα-helixtrans-60.5-40.2173.6-81.4168.7000112C454 V461 R462 I513 M514C454-L458 WeakPolarHBondContact O-CB 3.35Å; C454-L458 WeakPolarHBondContact O-CG 3.36Å; C454-L458 PolarHBondContact O-N 2.92Å; L458-V461 PolarHBondContact O-N 3.31Å; L458-R462 WeakPolarHBondContact O-CB 3.17Å; L458-R462 VanDerWaalsContact O-CG 3.31Å; L458-R462 WeakPolarHBondContact O-CG 3.41Å; L458-R462 PolarHBondContact O-N 3.5Å; L458-I513 HydrophobicContact CD1-CB 4.47Å; L458-I513 HydrophobicContact CD1-CG2 3.84Å; L458-I513 HydrophobicContact CD2-CB 3.88Å; L458-I513 HydrophobicContact CD2-CD1 4.26Å; L458-I513 HydrophobicContact CD2-CG2 4.07Å; L458-I513 HydrophobicContact CG-CB 3.95Å; L458-I513 HydrophobicContact CG-CD1 4.4Å; L458-I513 HydrophobicContact CG-CG2 3.55Å; L458-M514 HydrophobicContact CD1-CG 4.19Å; L458-M514 HydrophobicContact CD2-CG 4.08Å
459E94Very high92.2Very high103 Ų10356.1 Ų56.148%0.48128%0.276SS..Hα-helixtrans-64.5-41.7177.1-166.758.3-156.300111.8R455 R456 T457 V461 R462 T463R455-E459 PolarHBondContact O-N 3.41Å; R455-E459 VanDerWaalsContact O-N 3.1Å; R456-E459 PolarHBondContact O-N 3.5Å; T457-E459 VanDerWaalsContact C-N 3.3Å; T457-E459 PolarHBondContact O-N 3.34Å; E459-V461 VanDerWaalsContact C-N 3.35Å; E459-V461 PolarHBondContact O-N 3.19Å; E459-R462 PolarHBondContact O-N 3.1Å; E459-R462 IonicContact OE2-NH1 3.71Å; E459-T463 WeakPolarHBondContact O-CB 3.33Å; E459-T463 WeakPolarHBondContact O-CG2 3.45Å; E459-T463 PolarHBondContact O-N 3.4Å; E459-T463 PolarHBondContact O-OG1 3.27Å
460V94Very high91.6Very high65 Ų6557.3 Ų57.339%0.39429%0.286SS..Hα-helixtrans-60.8-43.6172.4174.70000111.1R456 T457 T463 S464 V628 N632R456-V460 WeakPolarHBondContact O-CG2 3.48Å; R456-V460 PolarHBondContact O-N 2.83Å; R456-V460 VanDerWaalsContact O-N 3.08Å; T457-V460 PolarHBondContact O-N 2.99Å; V460-T463 WeakPolarHBondContact CA-OG1 3.16Å; V460-T463 PolarHBondContact O-OG1 3.46Å; V460-S464 WeakPolarHBondContact O-CB 3.39Å; V460-S464 PolarHBondContact O-N 2.91Å; V460-S464 PolarHBondContact O-OG 3.47Å; V460-V628 HydrophobicContact CG1-CG1 3.88Å; V460-N632 WeakPolarHBondContact CG1-ND2 3.34Å
461V93.3Very high90.7Very high0 Ų057.4 Ų57.40%029%0.288CS..Hα-helixtrans-64.9-43.2178.1172.40000111.6T457 L458 E459 S464 L465 L506 I513 V628T457-V461 WeakPolarHBondContact O-CG2 3.43Å; T457-V461 PolarHBondContact O-N 3.47Å; L458-V461 PolarHBondContact O-N 3.31Å; E459-V461 VanDerWaalsContact C-N 3.35Å; E459-V461 PolarHBondContact O-N 3.19Å; V461-S464 PolarHBondContact O-N 3.38Å; V461-L465 HydrophobicContact CG1-CD1 3.88Å; V461-L465 HydrophobicContact CG1-CG 4.36Å; V461-L465 WeakPolarHBondContact O-CB 3.31Å; V461-L465 WeakPolarHBondContact O-CG 3.18Å; V461-L465 PolarHBondContact O-N 3.31Å; V461-L506 HydrophobicContact CG1-CB 4.28Å; V461-L506 VanDerWaalsContact CG1-O 3.31Å; V461-L506 WeakPolarHBondContact CG1-O 3.15Å; V461-L506 HydrophobicContact CG2-CD2 4.41Å; V461-I513 HydrophobicContact CG2-CD1 4.3Å; V461-V628 HydrophobicContact CG2-CB 4.29Å; V461-V628 HydrophobicContact CG2-CG1 3.75Å; V461-V628 HydrophobicContact CG2-CG2 3.47Å; V461-V628 VanDerWaalsContact CG2-CG2 3.47Å
462R92.9Very high89.6Confident122 Ų12258 Ų5846%0.4629%0.292SS..Hα-helixtrans-62.8-46.8178.3-76.4174.2-178.1162.5-0.4111.9L458 E459 S464 L465 L466L458-R462 WeakPolarHBondContact O-CB 3.17Å; L458-R462 VanDerWaalsContact O-CG 3.31Å; L458-R462 WeakPolarHBondContact O-CG 3.41Å; L458-R462 PolarHBondContact O-N 3.5Å; E459-R462 PolarHBondContact O-N 3.1Å; E459-R462 IonicContact OE2-NH1 3.71Å; R462-S464 VanDerWaalsContact C-N 3.33Å; R462-S464 PolarHBondContact O-N 3.45Å; R462-L465 PolarHBondContact O-N 3.41Å; R462-L466 WeakPolarHBondContact O-CB 3.3Å; R462-L466 WeakPolarHBondContact O-CG 3.47Å; R462-L466 PolarHBondContact O-N 2.91Å
463T92.1Very high88Confident70 Ų7059.9 Ų59.943%0.42931%0.312SS..Hα-helixtrans-61.8-41.5176.948.60000111.4E459 V460 L466 Y467E459-T463 WeakPolarHBondContact O-CB 3.33Å; E459-T463 WeakPolarHBondContact O-CG2 3.45Å; E459-T463 PolarHBondContact O-N 3.4Å; E459-T463 PolarHBondContact O-OG1 3.27Å; V460-T463 WeakPolarHBondContact CA-OG1 3.16Å; V460-T463 PolarHBondContact O-OG1 3.46Å; T463-L466 PolarHBondContact O-N 2.94Å; T463-Y467 WeakPolarHBondContact O-CB 3.32Å; T463-Y467 PolarHBondContact O-N 2.78Å
464S91Very high86.2Confident16 Ų1662.1 Ų62.111%0.11233%0.327CS..Hα-helixtrans-64.2-41.1173.7-65.90000113.9V460 V461 R462 Y467 L468 N632V460-S464 WeakPolarHBondContact O-CB 3.39Å; V460-S464 PolarHBondContact O-N 2.91Å; V460-S464 PolarHBondContact O-OG 3.47Å; V461-S464 PolarHBondContact O-N 3.38Å; R462-S464 VanDerWaalsContact C-N 3.33Å; R462-S464 PolarHBondContact O-N 3.45Å; S464-Y467 WeakPolarHBondContact O-CB 3.32Å; S464-Y467 PolarHBondContact O-N 2.71Å; S464-L468 WeakPolarHBondContact O-CB 3.43Å; S464-L468 WeakPolarHBondContact O-CG 3.41Å; S464-L468 PolarHBondContact O-N 3.08Å; S464-N632 WeakPolarHBondContact CB-OD1 3.43Å; S464-N632 PolarHBondContact OG-ND2 3.37Å; S464-N632 PolarHBondContact OG-OD1 3.01Å
465L91.4Very high84.1Confident45 Ų4568.7 Ų68.724%0.23636%0.357CS..Hα-helixtrans-66-39.3176.9-75.8170.6000111.9V461 R462 L468 S469 A503 L506V461-L465 HydrophobicContact CG1-CD1 3.88Å; V461-L465 HydrophobicContact CG1-CG 4.36Å; V461-L465 WeakPolarHBondContact O-CB 3.31Å; V461-L465 WeakPolarHBondContact O-CG 3.18Å; V461-L465 PolarHBondContact O-N 3.31Å; R462-L465 PolarHBondContact O-N 3.41Å; L465-L468 PolarHBondContact O-N 3.17Å; L465-S469 WeakPolarHBondContact O-CB 3.41Å; L465-S469 PolarHBondContact O-N 2.77Å; L465-S469 PolarHBondContact O-OG 2.56Å; L465-A503 HydrophobicContact CD2-CB 4.15Å; L465-A503 WeakPolarHBondContact CD2-O 3.4Å; L465-L506 HydrophobicContact CD2-CB 3.76Å; L465-L506 HydrophobicContact CD2-CD1 4.47Å; L465-L506 HydrophobicContact CG-CB 4.07Å
466L88.7Confident81.6Confident120 Ų12074.4 Ų74.463%0.62838%0.379SS*.Hα-helixtrans-63.6-41.7172.9-75.1166.3000111.7R462 T463 S469 S470R462-L466 WeakPolarHBondContact O-CB 3.3Å; R462-L466 WeakPolarHBondContact O-CG 3.47Å; R462-L466 PolarHBondContact O-N 2.91Å; T463-L466 PolarHBondContact O-N 2.94Å; L466-S469 PolarHBondContact O-N 2.7Å; L466-S469 PolarHBondContact O-OG 3.19Å; L466-S470 PolarHBondContact O-N 2.92Å; L466-S470 VanDerWaalsContact O-N 3.12Å
467Y86.9Confident79.3Confident96 Ų9670.5 Ų70.538%0.37638%0.379SS..Hα-helixtrans-60.6-51.3174.5177.1-105.3000111.1T463 S464 S469 S470 S471 Q639T463-Y467 WeakPolarHBondContact O-CB 3.32Å; T463-Y467 PolarHBondContact O-N 2.78Å; S464-Y467 WeakPolarHBondContact O-CB 3.32Å; S464-Y467 PolarHBondContact O-N 2.71Å; Y467-S469 VanDerWaalsContact C-N 3.34Å; Y467-S469 PolarHBondContact O-N 3.41Å; Y467-S470 PolarHBondContact O-N 3.02Å; Y467-S470 PolarHBondContact O-OG 3.23Å; Y467-S471 PolarHBondContact O-N 3.02Å; Y467-S471 PolarHBondContact O-OG 3.18Å; Y467-Q639 VanDerWaalsContact CE1-CD 3.48Å; Y467-Q639 VanDerWaalsContact CZ-OE1 3.29Å; Y467-Q639 PolarHBondContact OH-NE2 3.06Å; Y467-Q639 PolarHBondContact OH-OE1 2.95Å
468L86.7Confident76.9Confident2 Ų274.6 Ų74.61%0.0141%0.408CS..Hα-helixtrans-61.3-39178.8-73.7174.3000113.2S464 L465 S470 S471 L472 L499 A503 L506 A635S464-L468 WeakPolarHBondContact O-CB 3.43Å; S464-L468 WeakPolarHBondContact O-CG 3.41Å; S464-L468 PolarHBondContact O-N 3.08Å; L465-L468 PolarHBondContact O-N 3.17Å; L468-S470 VanDerWaalsContact C-N 3.33Å; L468-S471 PolarHBondContact O-N 2.75Å; L468-L472 WeakPolarHBondContact O-CG 3.49Å; L468-L472 PolarHBondContact O-N 3.13Å; L468-L499 HydrophobicContact CD2-CB 4.41Å; L468-L499 HydrophobicContact CD2-CD2 3.67Å; L468-A503 HydrophobicContact CD1-CB 3.97Å; L468-L506 HydrophobicContact CD1-CD1 3.64Å; L468-A635 HydrophobicContact CD2-CB 3.85Å
469S85.6Confident74.2Confident65 Ų6579.6 Ų79.646%0.45544%0.444SS..Hα-helixtrans-67.1-35.2178.670.40000111.9L465 L466 Y467 S471 L472 G473L465-S469 WeakPolarHBondContact O-CB 3.41Å; L465-S469 PolarHBondContact O-N 2.77Å; L465-S469 PolarHBondContact O-OG 2.56Å; L466-S469 PolarHBondContact O-N 2.7Å; L466-S469 PolarHBondContact O-OG 3.19Å; Y467-S469 VanDerWaalsContact C-N 3.34Å; Y467-S469 PolarHBondContact O-N 3.41Å; S469-S471 VanDerWaalsContact C-N 3.34Å; S469-S471 PolarHBondContact O-N 3.04Å; S469-L472 PolarHBondContact O-N 3.39Å; S469-G473 PolarHBondContact O-N 3.18Å
470S81.3Confident71.6Confident75 Ų7580.6 Ų80.652%0.52446%0.457SS..Hα-helixtrans-63.1-40.5173.677.60000112.2L466 Y467 L468 G473L466-S470 PolarHBondContact O-N 2.92Å; L466-S470 VanDerWaalsContact O-N 3.12Å; Y467-S470 PolarHBondContact O-N 3.02Å; Y467-S470 PolarHBondContact O-OG 3.23Å; L468-S470 VanDerWaalsContact C-N 3.33Å; S470-G473 PolarHBondContact O-N 3.38Å
471S74.6Confident68.8Low12 Ų1282.5 Ų82.58%0.08448%0.479CS..Hα-helixtrans-68.6-36.8179.5-42.10000112.5Y467 L468 S469 T474 Q639Y467-S471 PolarHBondContact O-N 3.02Å; Y467-S471 PolarHBondContact O-OG 3.18Å; L468-S471 PolarHBondContact O-N 2.75Å; S469-S471 VanDerWaalsContact C-N 3.34Å; S469-S471 PolarHBondContact O-N 3.04Å; S471-T474 PolarHBondContact O-OG1 3.2Å; S471-T474 VanDerWaalsContact O-OG1 3.05Å; S471-Q639 PolarHBondContact OG-NE2 3.33Å; S471-Q639 PolarHBondContact OG-OE1 3.34Å
472L71.8Confident66.4Low33 Ų3386 Ų8617%0.17352%0.516CS..Hα-helixtrans-76-28.9174.8-69.1166000112.2L468 S469 T474 R496 L499 R500L468-L472 WeakPolarHBondContact O-CG 3.49Å; L468-L472 PolarHBondContact O-N 3.13Å; S469-L472 PolarHBondContact O-N 3.39Å; L472-T474 PolarHBondContact O-N 3.06Å; L472-R496 HydrophobicContact CD2-CB 4.45Å; L472-L499 HydrophobicContact CD2-CB 4.3Å; L472-R500 HydrophobicContact CD1-CG 4.06Å; L472-R500 HydrophobicContact CD2-CG 3.89Å
473G59.3Low64Low60 Ų6087.3 Ų87.362%0.61953%0.529SS*.  trans-70.6-10.4-178.900000115.3S469 S470 E475S469-G473 PolarHBondContact O-N 3.18Å; S470-G473 PolarHBondContact O-N 3.38Å; G473-E475 PolarHBondContact O-N 3.45Å
474T54.3Low61.7Low96 Ų9689 Ų8959%0.58954%0.541SS*.  trans-72.434.9172.4-4.60000113.4S471 L472 R476S471-T474 PolarHBondContact O-OG1 3.2Å; S471-T474 VanDerWaalsContact O-OG1 3.05Å; L472-T474 PolarHBondContact O-N 3.06Å; T474-R476 PolarHBondContact O-N 3.46Å
475E51.1Low59.8Low137 Ų13795.6 Ų95.664%0.6457%0.57SS**  trans-85.339.3173.7-80.5-171.9174.100112.3G473 S477G473-E475 PolarHBondContact O-N 3.45Å; E475-S477 PolarHBondContact O-N 2.98Å
476R43.6Very low58.4Low238 Ų23896.8 Ų96.890%0.89858%0.576SS**  trans-73.984.3169-85.7-170.7178.6-179.41.1110.3T474T474-R476 PolarHBondContact O-N 3.46Å
477S45.3Very low57.3Low99 Ų9997.5 Ų97.569%0.69258%0.576SS**  trans48.679.9148.460.20000116.4E475 S479E475-S477 PolarHBondContact O-N 2.98Å; S477-S479 VanDerWaalsContact C-N 3.33Å
478S42Very low56.4Low107 Ų10795.3 Ų95.375%0.74857%0.569SS**  trans-96.655.515566.60000110.5V480S478-V480 VanDerWaalsContact C-N 3.31Å; S478-V480 PolarHBondContact O-N 3.3Å
479S37.9Very low55.6Low110 Ų11099 Ų9977%0.76959%0.588SS**  trans-9566.8160.569.10000108.5S477S477-S479 VanDerWaalsContact C-N 3.33Å
480V39.9Very low55.2Low124 Ų124100.6 Ų100.675%0.75259%0.587SS**  trans-95.897.6162.3-178.20000105.9S478 G482S478-V480 VanDerWaalsContact C-N 3.31Å; S478-V480 PolarHBondContact O-N 3.3Å; V480-G482 PolarHBondContact O-N 2.99Å
481A35Very low55.1Low105 Ų10599.9 Ų99.987%0.86858%0.579SS**  trans-66.1121.317500000109.4
482G42.8Very low55.3Low74 Ų7499.3 Ų99.376%0.76358%0.575SS**SBendtrans117.938163.200000118.3V480V480-G482 PolarHBondContact O-N 2.99Å
483M43.2Very low55.7Low150 Ų150100.3 Ų100.374%0.73959%0.589SS**  trans-130.4153.6168.1-76.2-65.4-129.800111.8
484P43Very low56.9Low105 Ų105103.7 Ų103.768%0.68259%0.588SS**  trans-63.9150.1-174.4-10.425.2000111.1I486P484-I486 WeakPolarHBondContact O-CG1 3.29Å; P484-I486 PolarHBondContact O-N 2.98Å
485E51.2Low58.4Low155 Ų155100.3 Ų100.372%0.72457%0.567SS**  trans-52.6102.2176.9-71.4-172.213200111.7Q487 K490E485-Q487 PolarHBondContact O-N 3.34Å; E485-K490 VanDerWaalsContact OE1-CE 3.24Å; E485-K490 WeakPolarHBondContact OE1-CE 3.47Å; E485-K490 IonicContact OE1-NZ 2.78Å; E485-K490 PolarHBondContact OE1-NZ 2.89Å; E485-K490 IonicContact OE2-NZ 3.59Å; E485-K490 PolarHBondContact OE2-NZ 3Å
486I61.6Low59.9Low70 Ų7095.9 Ų95.936%0.35954%0.544SS..  trans-76120.2172.9-51.9178.3000107.4P484 E488 L489 L649P484-I486 WeakPolarHBondContact O-CG1 3.29Å; P484-I486 PolarHBondContact O-N 2.98Å; I486-E488 HydrophobicContact CG2-CB 3.95Å; I486-E488 HydrophobicContact CG2-CG 4.32Å; I486-E488 PolarHBondContact O-N 3.03Å; I486-E488 VanDerWaalsContact O-N 3.1Å; I486-L489 HydrophobicContact CB-CD1 4.21Å; I486-L489 HydrophobicContact CD1-CD1 4.45Å; I486-L489 WeakPolarHBondContact O-CB 3.49Å; I486-L489 PolarHBondContact O-N 3.31Å; I486-L649 HydrophobicContact CG2-CD2 4.18Å
487Q66.3Low62.1Low134 Ų13486.8 Ų86.863%0.62652%0.517SS*.Hα-helixtrans-52.5-33.9-179.7-17665.315.800112.6E485 L489 K490 V491E485-Q487 PolarHBondContact O-N 3.34Å; Q487-L489 VanDerWaalsContact C-N 3.33Å; Q487-L489 PolarHBondContact O-N 3.47Å; Q487-K490 WeakPolarHBondContact O-CB 3.47Å; Q487-K490 PolarHBondContact O-N 2.87Å; Q487-V491 WeakPolarHBondContact O-CG2 3.39Å; Q487-V491 PolarHBondContact O-N 2.89Å; Q487-V491 VanDerWaalsContact O-N 3.12Å
488E67.3Low64.1Low50 Ų5088 Ų8823%0.23451%0.506CS..Hα-helixtrans-62.7-33.3177.5-64.2161.2-169.300112.9I486 V491 A492 I645 L649 Q652I486-E488 HydrophobicContact CG2-CB 3.95Å; I486-E488 HydrophobicContact CG2-CG 4.32Å; I486-E488 PolarHBondContact O-N 3.03Å; I486-E488 VanDerWaalsContact O-N 3.1Å; E488-V491 PolarHBondContact O-N 2.77Å; E488-A492 WeakPolarHBondContact O-CB 3.35Å; E488-A492 PolarHBondContact O-N 2.86Å; E488-I645 HydrophobicContact CB-CG2 4.17Å; E488-L649 HydrophobicContact CB-CD1 4.24Å; E488-L649 HydrophobicContact CB-CD2 4Å; E488-L649 HydrophobicContact CB-CG 4.17Å; E488-L649 WeakPolarHBondContact OE2-CD2 3.43Å; E488-Q652 PolarHBondContact OE1-NE2 3.27Å; E488-Q652 VanDerWaalsContact OE1-NE2 3.07Å; E488-Q652 PolarHBondContact OE2-NE2 3.09Å; E488-Q652 PolarHBondContact OE2-OE1 3.06Å
489L70.6Confident66.4Low80 Ų8082.9 Ų82.942%0.41947%0.471SS..Hα-helixtrans-68.7-35.9174.2-87160.3000112.1I486 Q487 A492 A493I486-L489 HydrophobicContact CB-CD1 4.21Å; I486-L489 HydrophobicContact CD1-CD1 4.45Å; I486-L489 WeakPolarHBondContact O-CB 3.49Å; I486-L489 PolarHBondContact O-N 3.31Å; Q487-L489 VanDerWaalsContact C-N 3.33Å; Q487-L489 PolarHBondContact O-N 3.47Å; L489-A492 PolarHBondContact O-N 2.74Å; L489-A493 WeakPolarHBondContact O-CB 3.4Å; L489-A493 PolarHBondContact O-N 3.28Å
490K76.6Confident68.8Low99 Ų9982.9 Ų82.943%0.4345%0.454SS..Hα-helixtrans-65.9-43.7173.3-81.2178.6177.5165.80111.1E485 Q487 A493 E494E485-K490 VanDerWaalsContact OE1-CE 3.24Å; E485-K490 WeakPolarHBondContact OE1-CE 3.47Å; E485-K490 IonicContact OE1-NZ 2.78Å; E485-K490 PolarHBondContact OE1-NZ 2.89Å; E485-K490 IonicContact OE2-NZ 3.59Å; E485-K490 PolarHBondContact OE2-NZ 3Å; Q487-K490 WeakPolarHBondContact O-CB 3.47Å; Q487-K490 PolarHBondContact O-N 2.87Å; K490-A493 PolarHBondContact O-N 2.78Å; K490-E494 PolarHBondContact O-N 3.47Å
491V79.7Confident71.3Confident59 Ų5980.5 Ų80.536%0.35844%0.44SS..Hα-helixtrans-63.7-42.5176.1-179.90000110.9Q487 E488 A493 E494 L495 I645Q487-V491 WeakPolarHBondContact O-CG2 3.39Å; Q487-V491 PolarHBondContact O-N 2.89Å; Q487-V491 VanDerWaalsContact O-N 3.12Å; E488-V491 PolarHBondContact O-N 2.77Å; V491-A493 VanDerWaalsContact C-N 3.34Å; V491-A493 PolarHBondContact O-N 3.26Å; V491-E494 PolarHBondContact O-N 2.84Å; V491-L495 HydrophobicContact CG1-CD1 4.24Å; V491-L495 HydrophobicContact CG1-CG 4.46Å; V491-L495 WeakPolarHBondContact O-CG 3.38Å; V491-L495 PolarHBondContact O-N 3.17Å; V491-I645 HydrophobicContact CB-CD1 4.28Å; V491-I645 HydrophobicContact CG1-CD1 3.55Å
492A78.3Confident74Confident0 Ų076 Ų760%040%0.401CS..Hα-helixtrans-64.7-35176.100000113E488 L489 R496 L642 I645E488-A492 WeakPolarHBondContact O-CB 3.35Å; E488-A492 PolarHBondContact O-N 2.86Å; L489-A492 PolarHBondContact O-N 2.74Å; A492-R496 WeakPolarHBondContact O-CB 3.35Å; A492-R496 VanDerWaalsContact O-CG 3.29Å; A492-R496 WeakPolarHBondContact O-CG 3.2Å; A492-R496 PolarHBondContact O-N 2.8Å; A492-L642 HydrophobicContact CB-CD1 3.88Å; A492-I645 HydrophobicContact CB-CG2 4.32Å
493A81Confident76.4Confident55 Ų5573.5 Ų73.546%0.45537%0.373SS..Hα-helixtrans-66.8-40.317400000112.1L489 K490 V491 R496 S497L489-A493 WeakPolarHBondContact O-CB 3.4Å; L489-A493 PolarHBondContact O-N 3.28Å; K490-A493 PolarHBondContact O-N 2.78Å; V491-A493 VanDerWaalsContact C-N 3.34Å; V491-A493 PolarHBondContact O-N 3.26Å; A493-R496 PolarHBondContact O-N 2.74Å; A493-S497 PolarHBondContact O-N 2.85Å
494E84.7Confident78.7Confident131 Ų13172.8 Ų72.861%0.61237%0.368SS*.Hα-helixtrans-65.2-45.9176.1-174.959.4-157.800111.8K490 V491 R496 S497 R498K490-E494 PolarHBondContact O-N 3.47Å; V491-E494 PolarHBondContact O-N 2.84Å; E494-R496 VanDerWaalsContact C-N 3.33Å; E494-R496 PolarHBondContact O-N 3.46Å; E494-S497 VanDerWaalsContact O-CB 3.3Å; E494-S497 WeakPolarHBondContact O-CB 3.36Å; E494-S497 PolarHBondContact O-N 2.88Å; E494-S497 VanDerWaalsContact O-N 3.14Å; E494-R498 PolarHBondContact O-N 2.83Å
495L84.5Confident81.1Confident25 Ų2569.6 Ų69.613%0.13135%0.346CS..Hα-helixtrans-61.3-40.7175.7-67.7174.5000111.7V491 R498 L499 V638 L642 I645V491-L495 HydrophobicContact CG1-CD1 4.24Å; V491-L495 HydrophobicContact CG1-CG 4.46Å; V491-L495 WeakPolarHBondContact O-CG 3.38Å; V491-L495 PolarHBondContact O-N 3.17Å; L495-R498 WeakPolarHBondContact O-CB 3.33Å; L495-R498 PolarHBondContact O-N 2.75Å; L495-L499 WeakPolarHBondContact O-CG 3.41Å; L495-L499 PolarHBondContact O-N 3.32Å; L495-V638 HydrophobicContact CB-CG1 4.08Å; L495-V638 HydrophobicContact CD2-CG1 3.99Å; L495-L642 HydrophobicContact CB-CD1 4.25Å; L495-L642 HydrophobicContact CD1-CB 4.28Å; L495-L642 HydrophobicContact CD1-CD1 4.44Å; L495-I645 HydrophobicContact CD1-CD1 3.69Å
496R84.6Confident83.1Confident43 Ų4362.2 Ų62.216%0.16231%0.312CS..Hα-helixtrans-64.3-39.4173.3-75.5-178.2-176.8105-6.3112.4L472 A492 A493 E494 R498 L499 R500 L642L472-R496 HydrophobicContact CD2-CB 4.45Å; A492-R496 WeakPolarHBondContact O-CB 3.35Å; A492-R496 VanDerWaalsContact O-CG 3.29Å; A492-R496 WeakPolarHBondContact O-CG 3.2Å; A492-R496 PolarHBondContact O-N 2.8Å; A493-R496 PolarHBondContact O-N 2.74Å; E494-R496 VanDerWaalsContact C-N 3.33Å; E494-R496 PolarHBondContact O-N 3.46Å; R496-R498 VanDerWaalsContact C-N 3.31Å; R496-R498 PolarHBondContact O-N 3.48Å; R496-L499 PolarHBondContact O-N 3.15Å; R496-R500 PolarHBondContact O-N 2.52Å; R496-R500 VanDerWaalsContact O-N 3.07Å; R496-L642 HydrophobicContact CG-CD1 4.31Å; R496-L642 HydrophobicContact CG-CD2 3.95Å
497S87.9Confident84.7Confident47 Ų4762.1 Ų62.133%0.32932%0.318SS..Hα-helixtrans-57.7-46.7173.4-166.90000110.9A493 E494 L499 R500 T501A493-S497 PolarHBondContact O-N 2.85Å; E494-S497 VanDerWaalsContact O-CB 3.3Å; E494-S497 WeakPolarHBondContact O-CB 3.36Å; E494-S497 PolarHBondContact O-N 2.88Å; E494-S497 VanDerWaalsContact O-N 3.14Å; S497-L499 PolarHBondContact O-N 3.35Å; S497-R500 WeakPolarHBondContact O-CB 3.31Å; S497-R500 PolarHBondContact O-N 3.25Å; S497-R500 VanDerWaalsContact O-N 3.11Å; S497-T501 PolarHBondContact O-N 2.77Å; S497-T501 PolarHBondContact O-OG1 3.28Å
498R89.3Confident86Confident125 Ų12563.5 Ų63.547%0.47232%0.317SS..Hα-helixtrans-62.1-40.5177.3-163.6169.6-179.4167.80.5112.9E494 L495 R496 R500 T501 L502 E634 V638E494-R498 PolarHBondContact O-N 2.83Å; L495-R498 WeakPolarHBondContact O-CB 3.33Å; L495-R498 PolarHBondContact O-N 2.75Å; R496-R498 VanDerWaalsContact C-N 3.31Å; R496-R498 PolarHBondContact O-N 3.48Å; R498-R500 VanDerWaalsContact C-N 3.34Å; R498-R500 PolarHBondContact O-N 3.09Å; R498-T501 PolarHBondContact O-N 2.78Å; R498-L502 WeakPolarHBondContact O-CG 3.45Å; R498-L502 PolarHBondContact O-N 3.45Å; R498-E634 IonicContact CZ-OE1 2.92Å; R498-E634 IonicContact NE-OE1 3.18Å; R498-E634 PolarHBondContact NE-OE1 2.82Å; R498-E634 IonicContact NH2-OE1 2.83Å; R498-E634 PolarHBondContact NH2-OE1 2.96Å; R498-V638 HydrophobicContact CG-CG2 4.4Å
499L88.6Confident87.3Confident0 Ų061.6 Ų61.60%031%0.309CS..Hα-helixtrans-61.7-38.2173.2-69.4174.7000112.4L468 L472 L495 R496 S497 L502 A503 V638 L642L468-L499 HydrophobicContact CD2-CB 4.41Å; L468-L499 HydrophobicContact CD2-CD2 3.67Å; L472-L499 HydrophobicContact CD2-CB 4.3Å; L495-L499 WeakPolarHBondContact O-CG 3.41Å; L495-L499 PolarHBondContact O-N 3.32Å; R496-L499 PolarHBondContact O-N 3.15Å; S497-L499 PolarHBondContact O-N 3.35Å; L499-L502 PolarHBondContact O-N 3.34Å; L499-A503 PolarHBondContact O-N 2.82Å; L499-V638 HydrophobicContact CD1-CG1 4.28Å; L499-V638 HydrophobicContact CD2-CB 3.88Å; L499-V638 HydrophobicContact CD2-CG1 3.59Å; L499-V638 HydrophobicContact CG-CB 4.45Å; L499-V638 HydrophobicContact CG-CG1 3.6Å; L499-L642 HydrophobicContact CD1-CD2 3.92Å
500R89.6Confident88.4Confident109 Ų10958.8 Ų58.841%0.41130%0.296SS..Hα-helixtrans-63.9-44.3174.4-66.6-173.7-149.9102.90.2111.6L472 R496 S497 R498 L502 A503 E504L472-R500 HydrophobicContact CD1-CG 4.06Å; L472-R500 HydrophobicContact CD2-CG 3.89Å; R496-R500 PolarHBondContact O-N 2.52Å; R496-R500 VanDerWaalsContact O-N 3.07Å; S497-R500 WeakPolarHBondContact O-CB 3.31Å; S497-R500 PolarHBondContact O-N 3.25Å; S497-R500 VanDerWaalsContact O-N 3.11Å; R498-R500 VanDerWaalsContact C-N 3.34Å; R498-R500 PolarHBondContact O-N 3.09Å; R500-L502 VanDerWaalsContact C-N 3.31Å; R500-L502 PolarHBondContact O-N 2.97Å; R500-A503 WeakPolarHBondContact O-CB 3.45Å; R500-A503 PolarHBondContact O-N 3.01Å; R500-A503 VanDerWaalsContact O-N 3.14Å; R500-E504 PolarHBondContact O-N 2.88Å
501T91.9Very high89.2Confident75 Ų7558.5 Ų58.546%0.4630%0.296SS..Hα-helixtrans-60.1-41.1176.4-50.90000111.7S497 R498 E504 V505S497-T501 PolarHBondContact O-N 2.77Å; S497-T501 PolarHBondContact O-OG1 3.28Å; R498-T501 PolarHBondContact O-N 2.78Å; T501-E504 PolarHBondContact O-N 2.93Å; T501-V505 WeakPolarHBondContact O-CG2 3.36Å; T501-V505 PolarHBondContact O-N 3.42Å; T501-V505 VanDerWaalsContact O-N 3.08Å
502L92.3Very high89.9Confident11 Ų1158.1 Ų58.16%0.05829%0.292CS..Hα-helixtrans-64.4-39.1175.3-69.6171.4000112.2R498 L499 R500 V505 L506 C631 E634 A635R498-L502 WeakPolarHBondContact O-CG 3.45Å; R498-L502 PolarHBondContact O-N 3.45Å; L499-L502 PolarHBondContact O-N 3.34Å; R500-L502 VanDerWaalsContact C-N 3.31Å; R500-L502 PolarHBondContact O-N 2.97Å; L502-V505 PolarHBondContact O-N 3.04Å; L502-L506 WeakPolarHBondContact O-CG 3.2Å; L502-L506 PolarHBondContact O-N 2.94Å; L502-C631 HydrophobicContact CD2-CB 4.34Å; L502-E634 HydrophobicContact CD1-CB 4.22Å; L502-E634 HydrophobicContact CD1-CG 4.01Å; L502-E634 HydrophobicContact CD2-CB 4.41Å; L502-E634 HydrophobicContact CD2-CG 4.43Å; L502-A635 HydrophobicContact CD1-CB 4.11Å
503A91.5Very high90.6Very high21 Ų2158.1 Ų58.117%0.17429%0.292CS..Hα-helixtrans-63.2-40.3174.700000112.1L465 L468 L499 R500 L506 S507L465-A503 HydrophobicContact CD2-CB 4.15Å; L465-A503 WeakPolarHBondContact CD2-O 3.4Å; L468-A503 HydrophobicContact CD1-CB 3.97Å; L499-A503 PolarHBondContact O-N 2.82Å; R500-A503 WeakPolarHBondContact O-CB 3.45Å; R500-A503 PolarHBondContact O-N 3.01Å; R500-A503 VanDerWaalsContact O-N 3.14Å; A503-L506 PolarHBondContact O-N 3.27Å; A503-S507 WeakPolarHBondContact O-CB 3.36Å; A503-S507 PolarHBondContact O-N 3.19Å
504E92.7Very high91.2Very high134 Ų13458.9 Ų58.963%0.62629%0.287SS*.Hα-helixtrans-61.9-42.8174.4-71.1173.1-176.400112R500 T501 S507 R508R500-E504 PolarHBondContact O-N 2.88Å; T501-E504 PolarHBondContact O-N 2.93Å; E504-S507 PolarHBondContact O-N 2.94Å; E504-R508 PolarHBondContact O-N 3.4Å
505V93.2Very high91.7Very high39 Ų3957.5 Ų57.524%0.23628%0.281CS..Hα-helixtrans-61.8-46.3176.2174.70000110.8T501 L502 S507 R508 C509 C631T501-V505 WeakPolarHBondContact O-CG2 3.36Å; T501-V505 PolarHBondContact O-N 3.42Å; T501-V505 VanDerWaalsContact O-N 3.08Å; L502-V505 PolarHBondContact O-N 3.04Å; V505-S507 VanDerWaalsContact C-N 3.35Å; V505-S507 PolarHBondContact O-N 3.46Å; V505-R508 PolarHBondContact O-N 2.97Å; V505-C509 PolarHBondContact O-N 3.44Å; V505-C509 PolarHBondContact O-SG 2.97Å; V505-C509 VanDerWaalsContact O-SG 3.39Å; V505-C631 VanDerWaalsContact CG1-SG 3.56Å
506L93.8Very high92.1Very high0 Ų057.1 Ų57.10%028%0.28CS..Hα-helixtrans-62.8-39.4176.8-75.4173.6000112.2V461 L465 L468 L502 A503 R508 C509 S510 V628 C631V461-L506 HydrophobicContact CG1-CB 4.28Å; V461-L506 VanDerWaalsContact CG1-O 3.31Å; V461-L506 WeakPolarHBondContact CG1-O 3.15Å; V461-L506 HydrophobicContact CG2-CD2 4.41Å; L465-L506 HydrophobicContact CD2-CB 3.76Å; L465-L506 HydrophobicContact CD2-CD1 4.47Å; L465-L506 HydrophobicContact CG-CB 4.07Å; L468-L506 HydrophobicContact CD1-CD1 3.64Å; L502-L506 WeakPolarHBondContact O-CG 3.2Å; L502-L506 PolarHBondContact O-N 2.94Å; A503-L506 PolarHBondContact O-N 3.27Å; L506-R508 VanDerWaalsContact C-N 3.35Å; L506-R508 PolarHBondContact O-N 2.92Å; L506-C509 WeakPolarHBondContact O-CB 3.48Å; L506-C509 PolarHBondContact O-N 2.97Å; L506-S510 PolarHBondContact O-N 3.1Å; L506-V628 HydrophobicContact CD2-CB 4.42Å; L506-V628 HydrophobicContact CD2-CG1 4.12Å; L506-V628 HydrophobicContact CD2-CG2 4.22Å; L506-C631 HydrophobicContact CD2-CB 4Å; L506-C631 HydrophobicContact CG-CB 4.18Å
507S94.3Very high92.5Very high68 Ų6857.6 Ų57.648%0.47628%0.283SS..Hα-helixtrans-62.2-42.2174.9-170.10000111.7A503 E504 V505 S510 Q511A503-S507 WeakPolarHBondContact O-CB 3.36Å; A503-S507 PolarHBondContact O-N 3.19Å; E504-S507 PolarHBondContact O-N 2.94Å; V505-S507 VanDerWaalsContact C-N 3.35Å; V505-S507 PolarHBondContact O-N 3.46Å; S507-S510 WeakPolarHBondContact O-CB 3.47Å; S507-S510 PolarHBondContact O-N 3.21Å; S507-Q511 PolarHBondContact O-N 2.87Å; S507-Q511 VanDerWaalsContact O-N 3.08Å
508R94.1Very high92.7Very high163 Ų16362 Ų6262%0.61530%0.299SS*.Hα-helixtrans-64.4-40.1174.1-174.3173.862.9-172.3-1.8111.8E504 V505 L506 S510 Q511 N512E504-R508 PolarHBondContact O-N 3.4Å; V505-R508 PolarHBondContact O-N 2.97Å; L506-R508 VanDerWaalsContact C-N 3.35Å; L506-R508 PolarHBondContact O-N 2.92Å; R508-S510 VanDerWaalsContact C-N 3.32Å; R508-S510 PolarHBondContact O-N 2.94Å; R508-Q511 PolarHBondContact O-N 3.38Å; R508-N512 VanDerWaalsContact O-CG 3.27Å; R508-N512 PolarHBondContact O-N 2.85Å; R508-N512 PolarHBondContact O-OD1 3.16Å
509C93.4Very high92.9Very high9 Ų958.9 Ų58.96%0.06130%0.296CS..Hα-helixtrans-59.6-42.8172.2-71.90000111.6V505 L506 Q511 N512 I513 V624 V628V505-C509 PolarHBondContact O-N 3.44Å; V505-C509 PolarHBondContact O-SG 2.97Å; V505-C509 VanDerWaalsContact O-SG 3.39Å; L506-C509 WeakPolarHBondContact O-CB 3.48Å; L506-C509 PolarHBondContact O-N 2.97Å; C509-Q511 PolarHBondContact O-N 3.4Å; C509-N512 PolarHBondContact O-N 2.86Å; C509-I513 WeakPolarHBondContact O-CD1 3.38Å; C509-I513 WeakPolarHBondContact O-CG1 3.29Å; C509-I513 PolarHBondContact O-N 3.46Å; C509-V624 HydrophobicContact CB-CG1 4.08Å; C509-V628 HydrophobicContact CB-CG2 3.96Å
510S94.7Very high93.1Very high21 Ų2159 Ų5915%0.14730%0.297CS..Hα-helixtrans-57.4-48.3176.1-171.70000111.7L506 S507 R508 I513 M514L506-S510 PolarHBondContact O-N 3.1Å; S507-S510 WeakPolarHBondContact O-CB 3.47Å; S507-S510 PolarHBondContact O-N 3.21Å; R508-S510 VanDerWaalsContact C-N 3.32Å; R508-S510 PolarHBondContact O-N 2.94Å; S510-I513 PolarHBondContact O-N 3.07Å; S510-M514 WeakPolarHBondContact O-CG 3.27Å; S510-M514 PolarHBondContact O-N 3.16Å
511Q93.8Very high93.2Very high93 Ų9355.8 Ų55.844%0.43529%0.291SS..Hα-helixtrans-60.6-47.6179.7-176.759.426.100111.6S507 R508 C509 I513 M514 E515S507-Q511 PolarHBondContact O-N 2.87Å; S507-Q511 VanDerWaalsContact O-N 3.08Å; R508-Q511 PolarHBondContact O-N 3.38Å; C509-Q511 PolarHBondContact O-N 3.4Å; Q511-I513 VanDerWaalsContact C-N 3.29Å; Q511-I513 PolarHBondContact O-N 3.43Å; Q511-M514 PolarHBondContact O-N 3.44Å; Q511-M514 VanDerWaalsContact O-N 3.15Å; Q511-E515 WeakPolarHBondContact CG-OE1 3.45Å; Q511-E515 PolarHBondContact NE2-OE1 2.91Å; Q511-E515 WeakPolarHBondContact O-CG 3.38Å; Q511-E515 PolarHBondContact O-N 3.37Å
512N93.6Very high93.3Very high51 Ų5155.1 Ų55.127%0.27329%0.29SS..Hα-helixtrans-59-38.8177.7-67.7-8.6000112.5R508 C509 T516R508-N512 VanDerWaalsContact O-CG 3.27Å; R508-N512 PolarHBondContact O-N 2.85Å; R508-N512 PolarHBondContact O-OD1 3.16Å; C509-N512 PolarHBondContact O-N 2.86Å; N512-T516 WeakPolarHBondContact O-CB 3.49Å; N512-T516 PolarHBondContact O-N 2.9Å; N512-T516 PolarHBondContact O-OG1 3.06Å
513I94.2Very high93.3Very high0 Ų055.4 Ų55.40%029%0.291CS..Hα-helixtrans-70.2-38.5178.5-59157.6000110.8C454 T457 L458 V461 C509 S510 Q511 T516 Q517 L621 V624C454-I513 HydrophobicContact CB-CG2 3.71Å; T457-I513 HydrophobicContact CG2-CD1 3.58Å; L458-I513 HydrophobicContact CD1-CB 4.47Å; L458-I513 HydrophobicContact CD1-CG2 3.84Å; L458-I513 HydrophobicContact CD2-CB 3.88Å; L458-I513 HydrophobicContact CD2-CD1 4.26Å; L458-I513 HydrophobicContact CD2-CG2 4.07Å; L458-I513 HydrophobicContact CG-CB 3.95Å; L458-I513 HydrophobicContact CG-CD1 4.4Å; L458-I513 HydrophobicContact CG-CG2 3.55Å; V461-I513 HydrophobicContact CG2-CD1 4.3Å; C509-I513 WeakPolarHBondContact O-CD1 3.38Å; C509-I513 WeakPolarHBondContact O-CG1 3.29Å; C509-I513 PolarHBondContact O-N 3.46Å; S510-I513 PolarHBondContact O-N 3.07Å; Q511-I513 VanDerWaalsContact C-N 3.29Å; Q511-I513 PolarHBondContact O-N 3.43Å; I513-T516 WeakPolarHBondContact O-CB 3.23Å; I513-T516 PolarHBondContact O-N 3.07Å; I513-Q517 WeakPolarHBondContact O-CB 3.31Å; I513-Q517 PolarHBondContact O-N 3.29Å; I513-L621 HydrophobicContact CG2-CD2 4.35Å; I513-V624 HydrophobicContact CD1-CG1 3.79Å; I513-V624 HydrophobicContact CG1-CG1 3.73Å
514M93.8Very high93.3Very high72 Ų7255.3 Ų55.336%0.35529%0.289SS..Hα-helixtrans-63.9-45176.2-67.1-148.8-52.300111.8L458 S510 Q511 T516 Q517 E518L458-M514 HydrophobicContact CD1-CG 4.19Å; L458-M514 HydrophobicContact CD2-CG 4.08Å; S510-M514 WeakPolarHBondContact O-CG 3.27Å; S510-M514 PolarHBondContact O-N 3.16Å; Q511-M514 PolarHBondContact O-N 3.44Å; Q511-M514 VanDerWaalsContact O-N 3.15Å; M514-T516 VanDerWaalsContact C-N 3.28Å; M514-T516 PolarHBondContact O-N 3.44Å; M514-Q517 WeakPolarHBondContact O-CB 3.37Å; M514-Q517 PolarHBondContact O-N 2.9Å; M514-Q517 VanDerWaalsContact O-N 3.08Å; M514-E518 PolarHBondContact O-N 3.43Å
515E93.3Very high93.3Very high101 Ų10155 Ų5547%0.47229%0.288SS..Hα-helixtrans-59.1-41.8175-71171.8-16700111.6Q511 Q517 E518 S519Q511-E515 WeakPolarHBondContact CG-OE1 3.45Å; Q511-E515 PolarHBondContact NE2-OE1 2.91Å; Q511-E515 WeakPolarHBondContact O-CG 3.38Å; Q511-E515 PolarHBondContact O-N 3.37Å; E515-Q517 VanDerWaalsContact C-N 3.34Å; E515-Q517 PolarHBondContact O-N 3.13Å; E515-E518 PolarHBondContact O-N 3.19Å; E515-S519 PolarHBondContact O-N 3.29Å
516T92.9Very high93.2Very high18 Ų1857.6 Ų57.611%0.1130%0.297CS..Hα-helixtrans-62.2-41.6174.7-60.20000111.7N512 I513 M514 S519 L520 T617 L621N512-T516 WeakPolarHBondContact O-CB 3.49Å; N512-T516 PolarHBondContact O-N 2.9Å; N512-T516 PolarHBondContact O-OG1 3.06Å; I513-T516 WeakPolarHBondContact O-CB 3.23Å; I513-T516 PolarHBondContact O-N 3.07Å; M514-T516 VanDerWaalsContact C-N 3.28Å; M514-T516 PolarHBondContact O-N 3.44Å; T516-S519 PolarHBondContact O-N 2.86Å; T516-L520 HydrophobicContact CG2-CD1 4.33Å; T516-L520 WeakPolarHBondContact O-CG 3.25Å; T516-L520 PolarHBondContact O-N 3.23Å; T516-T617 HydrophobicContact CG2-CG2 3.38Å; T516-L621 HydrophobicContact CG2-CD1 4.32Å; T516-L621 HydrophobicContact CG2-CD2 4.06Å; T516-L621 HydrophobicContact CG2-CG 4.16Å
517Q94Very high93.2Very high52 Ų5258 Ų5824%0.24330%0.299CS..Hα-helixtrans-65.9-39179-173.5177.30.200112.2C454 I513 M514 E515 L520 S521C454-Q517 HydrophobicContact CB-CB 4.34Å; I513-Q517 WeakPolarHBondContact O-CB 3.31Å; I513-Q517 PolarHBondContact O-N 3.29Å; M514-Q517 WeakPolarHBondContact O-CB 3.37Å; M514-Q517 PolarHBondContact O-N 2.9Å; M514-Q517 VanDerWaalsContact O-N 3.08Å; E515-Q517 VanDerWaalsContact C-N 3.34Å; E515-Q517 PolarHBondContact O-N 3.13Å; Q517-L520 PolarHBondContact O-N 3.46Å; Q517-S521 WeakPolarHBondContact O-CB 3.29Å; Q517-S521 PolarHBondContact O-N 3.06Å; Q517-S521 PolarHBondContact O-OG 3.25Å
518E92.5Very high93.1Very high141 Ų14158.2 Ų58.266%0.65930%0.298SS*.Hα-helixtrans-64.5-44.8174.1-72.5-176.9176.300111.7M514 E515 L520 S521 S522M514-E518 PolarHBondContact O-N 3.43Å; E515-E518 PolarHBondContact O-N 3.19Å; E518-L520 PolarHBondContact O-N 3.34Å; E518-S521 WeakPolarHBondContact O-CB 3.19Å; E518-S521 PolarHBondContact O-N 3.46Å; E518-S521 VanDerWaalsContact O-N 3.11Å; E518-S522 PolarHBondContact O-N 3.29Å
519S92.4Very high92.9Very high59 Ų5957.6 Ų57.641%0.41330%0.299SS..Hα-helixtrans-58.2-46.2175.7-174.70000112.1E515 T516 S521 S522 L523E515-S519 PolarHBondContact O-N 3.29Å; T516-S519 PolarHBondContact O-N 2.86Å; S519-S521 VanDerWaalsContact C-N 3.32Å; S519-S521 PolarHBondContact O-N 3.24Å; S519-S522 PolarHBondContact O-N 3.3Å; S519-L523 PolarHBondContact O-N 2.91Å; S519-L523 VanDerWaalsContact O-N 3.09Å
520L93.1Very high92.9Very high1 Ų158.5 Ų58.51%0.00531%0.306CS..Hα-helixtrans-63-36.6174.9-73.2173.7000112.4M447 L450 Q451 T516 Q517 E518 L523 S524 T617M447-L520 HydrophobicContact CE-CD2 4.47Å; M447-L520 WeakPolarHBondContact CE-O 3.26Å; L450-L520 HydrophobicContact CB-CD1 3.83Å; L450-L520 HydrophobicContact CD1-CD2 4.26Å; Q451-L520 HydrophobicContact CG-CB 4.17Å; Q451-L520 HydrophobicContact CG-CD1 4.27Å; T516-L520 HydrophobicContact CG2-CD1 4.33Å; T516-L520 WeakPolarHBondContact O-CG 3.25Å; T516-L520 PolarHBondContact O-N 3.23Å; Q517-L520 PolarHBondContact O-N 3.46Å; E518-L520 PolarHBondContact O-N 3.34Å; L520-L523 PolarHBondContact O-N 2.91Å; L520-S524 WeakPolarHBondContact O-CB 3.3Å; L520-S524 PolarHBondContact O-N 2.97Å; L520-T617 HydrophobicContact CD1-CG2 3.91Å; L520-T617 HydrophobicContact CD2-CG2 3.97Å; L520-T617 HydrophobicContact CG-CG2 4.05Å
521S92.9Very high92.8Very high42 Ų4263.6 Ų63.629%0.29432%0.322SS..Hα-helixtrans-67.3-42.2178.8-59.90000111.5Q517 E518 S519 S524 Q525Q517-S521 WeakPolarHBondContact O-CB 3.29Å; Q517-S521 PolarHBondContact O-N 3.06Å; Q517-S521 PolarHBondContact O-OG 3.25Å; E518-S521 WeakPolarHBondContact O-CB 3.19Å; E518-S521 PolarHBondContact O-N 3.46Å; E518-S521 VanDerWaalsContact O-N 3.11Å; S519-S521 VanDerWaalsContact C-N 3.32Å; S519-S521 PolarHBondContact O-N 3.24Å; S521-S524 WeakPolarHBondContact O-CB 3.31Å; S521-S524 PolarHBondContact O-N 2.8Å; S521-Q525 WeakPolarHBondContact O-CG 3.5Å; S521-Q525 PolarHBondContact O-N 3.47Å; S521-Q525 VanDerWaalsContact O-N 3.16Å
522S92.4Very high92.7Very high62 Ų6263.1 Ų63.143%0.43432%0.322SS..Hα-helixtrans-59.3-48.8174.1-176.90000111.6E518 S519 S524 Q525 E526E518-S522 PolarHBondContact O-N 3.29Å; S519-S522 PolarHBondContact O-N 3.3Å; S522-S524 PolarHBondContact O-N 3.47Å; S522-Q525 WeakPolarHBondContact O-CB 3.41Å; S522-Q525 PolarHBondContact O-N 3.31Å; S522-E526 PolarHBondContact O-N 2.93Å; S522-E526 VanDerWaalsContact O-N 3.16Å
523L92.1Very high92.6Very high17 Ų1767.3 Ų67.39%0.08934%0.34CS..Hα-helixtrans-61.8-32.2177.6-174.466.7000112.3M447 S519 L520 E526 L527 R610 V613 V614M447-L523 HydrophobicContact CE-CB 3.71Å; M447-L523 HydrophobicContact CE-CD2 3.95Å; M447-L523 HydrophobicContact CE-CG 3.84Å; M447-L523 HydrophobicContact SD-CB 4.42Å; M447-L523 HydrophobicContact SD-CD2 3.71Å; M447-L523 HydrophobicContact SD-CG 3.88Å; S519-L523 PolarHBondContact O-N 2.91Å; S519-L523 VanDerWaalsContact O-N 3.09Å; L520-L523 PolarHBondContact O-N 2.91Å; L523-E526 PolarHBondContact O-N 3.46Å; L523-L527 PolarHBondContact O-N 3.42Å; L523-R610 HydrophobicContact CD1-CB 4.41Å; L523-R610 HydrophobicContact CD1-CG 3.74Å; L523-V613 HydrophobicContact CD2-CG1 4.4Å; L523-V614 HydrophobicContact CD2-CG2 4.32Å
524S92.8Very high92.4Very high19 Ų1968.1 Ų68.113%0.13335%0.345CS..Hα-helixtrans-68-41.5178.8-1660000110.8M447 L520 S521 S522 E526 L527 V528M447-S524 VanDerWaalsContact CE-N 3.27Å; L520-S524 WeakPolarHBondContact O-CB 3.3Å; L520-S524 PolarHBondContact O-N 2.97Å; S521-S524 WeakPolarHBondContact O-CB 3.31Å; S521-S524 PolarHBondContact O-N 2.8Å; S522-S524 PolarHBondContact O-N 3.47Å; S524-E526 VanDerWaalsContact C-N 3.32Å; S524-E526 PolarHBondContact O-N 2.76Å; S524-L527 WeakPolarHBondContact O-CB 3.37Å; S524-L527 PolarHBondContact O-N 2.86Å; S524-L527 VanDerWaalsContact O-N 3.17Å; S524-V528 WeakPolarHBondContact O-CG2 3.48Å; S524-V528 PolarHBondContact O-N 3.33Å; S524-V528 VanDerWaalsContact O-N 3.1Å
525Q91.8Very high92.3Very high128 Ų12869.8 Ų69.860%0.59835%0.352SS*.Hα-helixtrans-63-38.1174.9-66.4175.63.900112S521 S522 L527 V528 K529S521-Q525 WeakPolarHBondContact O-CG 3.5Å; S521-Q525 PolarHBondContact O-N 3.47Å; S521-Q525 VanDerWaalsContact O-N 3.16Å; S522-Q525 WeakPolarHBondContact O-CB 3.41Å; S522-Q525 PolarHBondContact O-N 3.31Å; Q525-L527 VanDerWaalsContact C-N 3.34Å; Q525-V528 PolarHBondContact O-N 3.48Å; Q525-K529 PolarHBondContact O-N 2.97Å
526E92.3Very high92.2Very high92 Ų9272.1 Ų72.143%0.4336%0.363SS..Hα-helixtrans-64.5-37.8173.8-67.7-175.9-173.300112.7S522 L523 S524 K529 S530 R610S522-E526 PolarHBondContact O-N 2.93Å; S522-E526 VanDerWaalsContact O-N 3.16Å; L523-E526 PolarHBondContact O-N 3.46Å; S524-E526 VanDerWaalsContact C-N 3.32Å; S524-E526 PolarHBondContact O-N 2.76Å; E526-K529 PolarHBondContact O-N 2.85Å; E526-S530 PolarHBondContact O-N 3.06Å; E526-S530 PolarHBondContact O-OG 3.38Å; E526-R610 IonicContact OE2-NH2 3.21Å
527L93.1Very high92.1Very high8 Ų872.3 Ų72.34%0.04236%0.363CS..Hα-helixtrans-64.4-41.5176.9-78.1173.7000112.3L440 L443 M447 L523 S524 Q525 K529 S530 R531L440-L527 HydrophobicContact CD2-CD2 3.59Å; L443-L527 HydrophobicContact CB-CD1 3.97Å; L443-L527 HydrophobicContact CB-CD2 4.16Å; L443-L527 HydrophobicContact CD1-CD2 3.91Å; M447-L527 HydrophobicContact CE-CD1 4.3Å; M447-L527 HydrophobicContact SD-CD1 3.24Å; M447-L527 WeakPolarHBondContact SD-CD1 3.47Å; M447-L527 HydrophobicContact SD-CG 4.42Å; L523-L527 PolarHBondContact O-N 3.42Å; S524-L527 WeakPolarHBondContact O-CB 3.37Å; S524-L527 PolarHBondContact O-N 2.86Å; S524-L527 VanDerWaalsContact O-N 3.17Å; Q525-L527 VanDerWaalsContact C-N 3.34Å; L527-K529 VanDerWaalsContact C-N 3.33Å; L527-K529 PolarHBondContact O-N 3.05Å; L527-S530 PolarHBondContact O-N 3.12Å; L527-R531 WeakPolarHBondContact O-CB 3.31Å; L527-R531 PolarHBondContact O-N 3.31Å
528V91.4Very high92.2Very high73 Ų7377.4 Ų77.444%0.44238%0.38SS..Hα-helixtrans-58.6-46.8176.6174.60000110.3S524 Q525 S530 R531 D532S524-V528 WeakPolarHBondContact O-CG2 3.48Å; S524-V528 PolarHBondContact O-N 3.33Å; S524-V528 VanDerWaalsContact O-N 3.1Å; Q525-V528 PolarHBondContact O-N 3.48Å; V528-S530 VanDerWaalsContact C-N 3.35Å; V528-S530 PolarHBondContact O-N 3.27Å; V528-R531 WeakPolarHBondContact O-CB 3.32Å; V528-R531 PolarHBondContact O-N 3.16Å; V528-R531 VanDerWaalsContact O-N 3.1Å; V528-D532 PolarHBondContact O-N 2.77Å
529K91.4Very high92.4Very high150 Ų15071 Ų7165%0.65235%0.351SS*.Hα-helixtrans-59.8-43.2176-66.4176.5-175.9176.20112.6Q525 E526 L527 R531 D532 Q533Q525-K529 PolarHBondContact O-N 2.97Å; E526-K529 PolarHBondContact O-N 2.85Å; L527-K529 VanDerWaalsContact C-N 3.33Å; L527-K529 PolarHBondContact O-N 3.05Å; K529-R531 VanDerWaalsContact C-N 3.3Å; K529-R531 PolarHBondContact O-N 3.45Å; K529-D532 PolarHBondContact O-N 3.38Å; K529-Q533 PolarHBondContact O-N 3.46Å
530S92.6Very high92.6Very high28 Ų2869.6 Ų69.620%0.19634%0.339CS..Hα-helixtrans-63.5-36.8175.9-63.30000112.2E526 L527 V528 V534 R610E526-S530 PolarHBondContact O-N 3.06Å; E526-S530 PolarHBondContact O-OG 3.38Å; L527-S530 PolarHBondContact O-N 3.12Å; V528-S530 VanDerWaalsContact C-N 3.35Å; V528-S530 PolarHBondContact O-N 3.27Å; S530-V534 WeakPolarHBondContact O-CG2 3.37Å; S530-V534 PolarHBondContact O-N 3.07Å; S530-R610 PolarHBondContact OG-NH1 2.82Å; S530-R610 PolarHBondContact OG-NH2 3.23Å
531R92.9Very high92.8Very high129 Ų12974.1 Ų74.149%0.48736%0.36SS..Hα-helixtrans-65.1-48.2177.1-178.8-176.9178.6-145.1-3.1111.1L440 L527 V528 K529 Q533 V534 H535L440-R531 HydrophobicContact CD1-CB 4.23Å; L527-R531 WeakPolarHBondContact O-CB 3.31Å; L527-R531 PolarHBondContact O-N 3.31Å; V528-R531 WeakPolarHBondContact O-CB 3.32Å; V528-R531 PolarHBondContact O-N 3.16Å; V528-R531 VanDerWaalsContact O-N 3.1Å; K529-R531 VanDerWaalsContact C-N 3.3Å; K529-R531 PolarHBondContact O-N 3.45Å; R531-Q533 VanDerWaalsContact C-N 3.26Å; R531-Q533 PolarHBondContact O-N 3.34Å; R531-V534 WeakPolarHBondContact O-CB 3.5Å; R531-V534 PolarHBondContact O-N 3Å; R531-H535 PolarHBondContact O-CD2 2.62Å; R531-H535 PolarHBondContact O-N 2.95Å
532D91.6Very high93Very high82 Ų8275.9 Ų75.944%0.43936%0.363SS..Hα-helixtrans-58-41.4178.8-62.9-25.3000111.2V528 K529 V534 H535 E536V528-D532 PolarHBondContact O-N 2.77Å; K529-D532 PolarHBondContact O-N 3.38Å; D532-V534 VanDerWaalsContact C-N 3.32Å; D532-V534 PolarHBondContact O-N 3.47Å; D532-H535 PolarHBondContact O-N 2.8Å; D532-E536 WeakPolarHBondContact O-CG 3.27Å; D532-E536 PolarHBondContact O-N 2.77Å; D532-E536 VanDerWaalsContact O-N 3.07Å
533Q90.6Very high93.3Very high139 Ų13973 Ų7365%0.6534%0.343SS*.Hα-helixtrans-61.8-36.1175.8-172.1171.434.300113.4K529 R531K529-Q533 PolarHBondContact O-N 3.46Å; R531-Q533 VanDerWaalsContact C-N 3.26Å; R531-Q533 PolarHBondContact O-N 3.34Å
534V91.6Very high93.6Very high18 Ų1874.6 Ų74.611%0.10935%0.35CS..Hα-helixtrans-70.2-38.8175.7169.80000111L433 Q436 L440 S530 R531 D532 E536 D537L433-V534 HydrophobicContact CD1-CG1 3.74Å; L433-V534 HydrophobicContact CG-CG1 4.47Å; Q436-V534 HydrophobicContact CB-CG2 4.31Å; L440-V534 HydrophobicContact CD1-CG2 3.93Å; S530-V534 WeakPolarHBondContact O-CG2 3.37Å; S530-V534 PolarHBondContact O-N 3.07Å; R531-V534 WeakPolarHBondContact O-CB 3.5Å; R531-V534 PolarHBondContact O-N 3Å; D532-V534 VanDerWaalsContact C-N 3.32Å; D532-V534 PolarHBondContact O-N 3.47Å; V534-E536 VanDerWaalsContact C-N 3.31Å; V534-E536 PolarHBondContact O-N 2.93Å; V534-D537 WeakPolarHBondContact O-CB 3.34Å; V534-D537 PolarHBondContact O-N 3.39Å
535H89.8Confident93.8Very high107 Ų10776.5 Ų76.550%0.49536%0.362SS..Hα-helixtrans-67.7-29.3177.2-77.8-65.2000113.3E437 R531 D532 D537E437-H535 IonicContact OE2-CE1 2.77Å; E437-H535 IonicContact OE2-NE2 2.71Å; E437-H535 PolarHBondContact OE2-NE2 3.03Å; R531-H535 PolarHBondContact O-CD2 2.62Å; R531-H535 PolarHBondContact O-N 2.95Å; D532-H535 PolarHBondContact O-N 2.8Å; H535-D537 VanDerWaalsContact C-N 3.29Å
536E91.9Very high94.1Very high150 Ų15070.6 Ų70.670%0.70134%0.335SS*.THydrogen-bonded Turntrans-79.3-8.7176.3-70.7-177172.100113.7D532 V534 R538D532-E536 WeakPolarHBondContact O-CG 3.27Å; D532-E536 PolarHBondContact O-N 2.77Å; D532-E536 VanDerWaalsContact O-N 3.07Å; V534-E536 VanDerWaalsContact C-N 3.31Å; V534-E536 PolarHBondContact O-N 2.93Å; E536-R538 PolarHBondContact O-N 3.46Å
537D92Very high94.4Very high22 Ų2266.2 Ų66.212%0.11832%0.315CS..  trans-64.3128.3-175.9-165-66.8000112L433 V534 H535 S539 K599L433-D537 HydrophobicContact CD1-CB 4.32Å; V534-D537 WeakPolarHBondContact O-CB 3.34Å; V534-D537 PolarHBondContact O-N 3.39Å; H535-D537 VanDerWaalsContact C-N 3.29Å; D537-S539 WeakPolarHBondContact OD1-CB 3.29Å; D537-S539 PolarHBondContact OD1-N 3.46Å; D537-S539 PolarHBondContact OD1-OG 2.85Å; D537-K599 IonicContact OD2-NZ 3.82Å; D537-K599 PolarHBondContact OD2-NZ 3.49Å
538R95.1Very high94.6Very high158 Ų15869.9 Ų69.960%0.59634%0.335SS*.  trans-112.28.6-179.1-59.4-58.3-174.5171.5-1.1114.3E536 I540 Q541 Q542E536-R538 PolarHBondContact O-N 3.46Å; R538-I540 PolarHBondContact O-N 3.32Å; R538-Q541 VanDerWaalsContact C-OE1 3.24Å; R538-Q541 PolarHBondContact O-N 2.8Å; R538-Q541 PolarHBondContact O-OE1 3.26Å; R538-Q542 WeakPolarHBondContact O-CG 3.4Å; R538-Q542 PolarHBondContact O-N 2.98Å
539S96.1Very high94.9Very high7 Ų771.6 Ų71.65%0.04934%0.336CS..Hα-helixtrans-60.3-42.2-174.361.80000112.3D537 Q541 Q542 I543 C596D537-S539 WeakPolarHBondContact OD1-CB 3.29Å; D537-S539 PolarHBondContact OD1-N 3.46Å; D537-S539 PolarHBondContact OD1-OG 2.85Å; S539-Q541 PolarHBondContact O-N 2.83Å; S539-Q542 WeakPolarHBondContact O-CB 3.46Å; S539-Q542 PolarHBondContact O-N 2.9Å; S539-I543 WeakPolarHBondContact O-CG1 3.24Å; S539-I543 PolarHBondContact O-N 3Å; S539-C596 PolarHBondContact OG-SG 2.77Å
540I97.1Very high95.2Very high30 Ų3064.5 Ų64.515%0.15431%0.305CS..Hα-helixtrans-61.7-44.8178.3-64.9174.1000110.8L426 A429 R430 L433 R538 Q542 I543 Q544L426-I540 HydrophobicContact CD1-CG2 3.9Å; A429-I540 HydrophobicContact CB-CG1 4.31Å; R430-I540 HydrophobicContact CB-CD1 4.46Å; R430-I540 HydrophobicContact CG-CD1 3.85Å; R430-I540 HydrophobicContact CG-CG1 4.44Å; R430-I540 HydrophobicContact CG-CG2 4.27Å; L433-I540 HydrophobicContact CB-CD1 4.14Å; L433-I540 HydrophobicContact CD2-CD1 3.4Å; L433-I540 HydrophobicContact CD2-CG1 4.44Å; L433-I540 HydrophobicContact CG-CD1 4.41Å; R538-I540 PolarHBondContact O-N 3.32Å; I540-Q542 VanDerWaalsContact C-N 3.31Å; I540-Q542 PolarHBondContact O-N 3.48Å; I540-I543 PolarHBondContact O-N 2.97Å; I540-Q544 WeakPolarHBondContact O-CB 3.27Å; I540-Q544 PolarHBondContact O-N 3.49Å
541Q97.4Very high95.4Very high96 Ų9664.7 Ų64.745%0.44930%0.304SS..Hα-helixtrans-65.3-36177.8-63.286.8-15.200111.4R538 S539 C545R538-Q541 VanDerWaalsContact C-OE1 3.24Å; R538-Q541 PolarHBondContact O-N 2.8Å; R538-Q541 PolarHBondContact O-OE1 3.26Å; S539-Q541 PolarHBondContact O-N 2.83Å; Q541-C545 VanDerWaalsContact O-CB 3.32Å; Q541-C545 WeakPolarHBondContact O-CB 3.33Å; Q541-C545 PolarHBondContact O-N 2.98Å
542Q97.7Very high95.6Very high79 Ų7965 Ų6537%0.36931%0.309SS..Hα-helixtrans-66.7-44.1175.8-68.9178.621.400112.2R538 S539 I540 C545 C546 V591R538-Q542 WeakPolarHBondContact O-CG 3.4Å; R538-Q542 PolarHBondContact O-N 2.98Å; S539-Q542 WeakPolarHBondContact O-CB 3.46Å; S539-Q542 PolarHBondContact O-N 2.9Å; I540-Q542 VanDerWaalsContact C-N 3.31Å; I540-Q542 PolarHBondContact O-N 3.48Å; Q542-C545 PolarHBondContact O-N 3.19Å; Q542-C546 PolarHBondContact O-N 2.88Å; Q542-C546 VanDerWaalsContact O-N 3.16Å; Q542-C546 PolarHBondContact O-SG 3.14Å; Q542-V591 HydrophobicContact CB-CG1 4.23Å
543I98.1Very high95.9Very high0 Ų061.7 Ų61.70%029%0.291CS..Hα-helixtrans-61.1-47.6174.8-70.4170.9000110L426 A429 S539 I540 C545 C546 L547 L588 V591 F592L426-I543 HydrophobicContact CB-CG2 3.77Å; L426-I543 HydrophobicContact CD1-CB 4.34Å; L426-I543 HydrophobicContact CD1-CG2 3.82Å; L426-I543 HydrophobicContact CG-CG2 4.36Å; A429-I543 HydrophobicContact CB-CD1 3.88Å; S539-I543 WeakPolarHBondContact O-CG1 3.24Å; S539-I543 PolarHBondContact O-N 3Å; I540-I543 PolarHBondContact O-N 2.97Å; I543-C545 PolarHBondContact O-N 2.82Å; I543-C546 WeakPolarHBondContact O-CB 3.03Å; I543-C546 PolarHBondContact O-N 2.87Å; I543-C546 VanDerWaalsContact O-N 3.16Å; I543-L547 HydrophobicContact CG2-CD1 4.07Å; I543-L547 PolarHBondContact O-N 3.02Å; I543-L588 HydrophobicContact CB-CG 4.47Å; I543-L588 HydrophobicContact CG1-CG 4.42Å; I543-L588 HydrophobicContact CG2-CD1 4.05Å; I543-L588 HydrophobicContact CG2-CD2 4.29Å; I543-L588 HydrophobicContact CG2-CG 3.92Å; I543-V591 HydrophobicContact CD1-CG1 4.31Å; I543-V591 HydrophobicContact CG1-CB 4.32Å; I543-V591 HydrophobicContact CG1-CG1 3.92Å; I543-F592 HydrophobicContact CD1-CB 4.15Å
544Q97.9Very high96.2Very high51 Ų5155.5 Ų55.524%0.23826%0.262CS..Hα-helixtrans-59.3-45.8178.4-17266.458.400111.8I540 C546 L547 D548I540-Q544 WeakPolarHBondContact O-CB 3.27Å; I540-Q544 PolarHBondContact O-N 3.49Å; Q544-C546 VanDerWaalsContact C-N 3.26Å; Q544-C546 PolarHBondContact O-N 2.94Å; Q544-L547 WeakPolarHBondContact O-CB 3.22Å; Q544-L547 PolarHBondContact O-N 3.16Å; Q544-L547 VanDerWaalsContact O-N 3.07Å; Q544-D548 PolarHBondContact NE2-OD1 3.24Å; Q544-D548 PolarHBondContact O-N 3.4Å
545C97.9Very high96.4Very high59 Ų5960 Ų6040%0.39928%0.28SS..Hα-helixtrans-59.3-37177.3179.40000112.5Q541 Q542 I543 K549Q541-C545 VanDerWaalsContact O-CB 3.32Å; Q541-C545 WeakPolarHBondContact O-CB 3.33Å; Q541-C545 PolarHBondContact O-N 2.98Å; Q542-C545 PolarHBondContact O-N 3.19Å; I543-C545 PolarHBondContact O-N 2.82Å; C545-K549 WeakPolarHBondContact O-CG 3.23Å; C545-K549 PolarHBondContact O-N 3.41Å
546C98Very high96.6Very high4 Ų458.3 Ų58.33%0.02727%0.273CS..Hα-helixtrans-67.5-45.4173.6-64.10000111.3Q542 I543 Q544 D548 K549 M550 L588Q542-C546 PolarHBondContact O-N 2.88Å; Q542-C546 VanDerWaalsContact O-N 3.16Å; Q542-C546 PolarHBondContact O-SG 3.14Å; I543-C546 WeakPolarHBondContact O-CB 3.03Å; I543-C546 PolarHBondContact O-N 2.87Å; I543-C546 VanDerWaalsContact O-N 3.16Å; Q544-C546 VanDerWaalsContact C-N 3.26Å; Q544-C546 PolarHBondContact O-N 2.94Å; C546-D548 PolarHBondContact O-N 3.14Å; C546-K549 PolarHBondContact O-N 3.39Å; C546-M550 WeakPolarHBondContact O-CB 2.85Å; C546-M550 VanDerWaalsContact O-CG 3.24Å; C546-M550 WeakPolarHBondContact O-CG 3.36Å; C546-M550 PolarHBondContact O-N 3.02Å; C546-L588 HydrophobicContact CB-CB 3.97Å; C546-L588 HydrophobicContact CB-CD1 4.09Å; C546-L588 HydrophobicContact CB-CG 4.42Å
547L97.6Very high96.8Very high0 Ų051.2 Ų51.20%024%0.239CC..Hα-helixtrans-60-43177.6-76170.4000112.8L419 Y423 L426 I543 Q544 K549 M550 N551 L588L419-L547 HydrophobicContact CD2-CD2 3.94Å; Y423-L547 HydrophobicContact CD1-CD1 3.85Å; Y423-L547 HydrophobicContact CD1-CD2 4.45Å; Y423-L547 HydrophobicContact CD2-CD2 4.49Å; Y423-L547 HydrophobicContact CE1-CD1 4.17Å; Y423-L547 HydrophobicContact CG-CD1 4.46Å; Y423-L547 HydrophobicContact CG-CD2 4.42Å; L426-L547 HydrophobicContact CB-CD1 3.78Å; L426-L547 HydrophobicContact CD2-CD1 3.65Å; L426-L547 HydrophobicContact CG-CD1 4.25Å; I543-L547 HydrophobicContact CG2-CD1 4.07Å; I543-L547 PolarHBondContact O-N 3.02Å; Q544-L547 WeakPolarHBondContact O-CB 3.22Å; Q544-L547 PolarHBondContact O-N 3.16Å; Q544-L547 VanDerWaalsContact O-N 3.07Å; L547-K549 VanDerWaalsContact C-N 3.32Å; L547-K549 PolarHBondContact O-N 3.29Å; L547-M550 PolarHBondContact O-N 2.9Å; L547-N551 VanDerWaalsContact O-CB 3.27Å; L547-N551 WeakPolarHBondContact O-CB 3.45Å; L547-N551 PolarHBondContact O-N 2.83Å; L547-L588 HydrophobicContact CD1-CD1 4.32Å; L547-L588 HydrophobicContact CD2-CD1 3.65Å; L547-L588 HydrophobicContact CG-CD1 3.53Å
548D97.8Very high96.9Very high86 Ų8654.8 Ų54.846%0.4625%0.254SS..Hα-helixtrans-61.9-42.8-178.8-64.9-21.8000111.2Q544 C546 N551 F552Q544-D548 PolarHBondContact NE2-OD1 3.24Å; Q544-D548 PolarHBondContact O-N 3.4Å; C546-D548 PolarHBondContact O-N 3.14Å; D548-N551 PolarHBondContact O-N 3.36Å; D548-F552 PolarHBondContact O-N 2.9Å
549K98Very high96.7Very high109 Ų10954.5 Ų54.547%0.47426%0.257SS..Hα-helixtrans-66-43.1174.9-68.6174.8-177.9177.50112C545 C546 L547 N551 F552 I553 L584C545-K549 WeakPolarHBondContact O-CG 3.23Å; C545-K549 PolarHBondContact O-N 3.41Å; C546-K549 PolarHBondContact O-N 3.39Å; L547-K549 VanDerWaalsContact C-N 3.32Å; L547-K549 PolarHBondContact O-N 3.29Å; K549-N551 VanDerWaalsContact C-N 3.35Å; K549-F552 WeakPolarHBondContact O-CB 3.29Å; K549-F552 PolarHBondContact O-N 2.87Å; K549-I553 PolarHBondContact O-N 3Å; K549-L584 HydrophobicContact CB-CD1 3.67Å; K549-L584 HydrophobicContact CB-CD2 4.35Å; K549-L584 HydrophobicContact CD-CD2 4.05Å
550M98Very high96.5Very high1 Ų154.8 Ų54.81%0.00526%0.259CS..Hα-helixtrans-63.2-41.6175.9-71.4168.964.100111.5V418 L419 C546 L547 F552 I553 Y554 F581 L584 A585 L588V418-M550 HydrophobicContact CG1-CE 3.76Å; L419-M550 HydrophobicContact CD2-CB 3.74Å; L419-M550 HydrophobicContact CD2-CE 4.18Å; L419-M550 HydrophobicContact CG-CB 4.48Å; L419-M550 HydrophobicContact CG-CE 4.46Å; C546-M550 WeakPolarHBondContact O-CB 2.85Å; C546-M550 VanDerWaalsContact O-CG 3.24Å; C546-M550 WeakPolarHBondContact O-CG 3.36Å; C546-M550 PolarHBondContact O-N 3.02Å; L547-M550 PolarHBondContact O-N 2.9Å; M550-F552 VanDerWaalsContact C-N 3.31Å; M550-F552 PolarHBondContact O-N 2.86Å; M550-I553 PolarHBondContact O-N 3.38Å; M550-Y554 WeakPolarHBondContact O-CB 3.49Å; M550-Y554 PolarHBondContact O-N 3.4Å; M550-F581 HydrophobicContact CB-CD2 4.04Å; M550-F581 HydrophobicContact CB-CE2 3.74Å; M550-F581 HydrophobicContact CB-CZ 4.31Å; M550-F581 HydrophobicContact CE-CD1 4.36Å; M550-F581 HydrophobicContact CE-CE1 3.79Å; M550-F581 HydrophobicContact CE-CE2 4.27Å; M550-F581 HydrophobicContact CE-CZ 3.74Å; M550-F581 HydrophobicContact CG-CD2 4.21Å; M550-F581 HydrophobicContact CG-CE2 4.25Å; M550-F581 WeakPolarHBondContact O-CE2 3.35Å; M550-L584 HydrophobicContact CG-CB 3.59Å; M550-L584 HydrophobicContact CG-CD1 3.94Å; M550-L584 HydrophobicContact CG-CG 4.41Å; M550-L584 HydrophobicContact SD-CB 3.92Å; M550-A585 HydrophobicContact CE-CB 3.81Å; M550-A585 HydrophobicContact SD-CB 4.29Å; M550-L588 HydrophobicContact SD-CD1 4.28Å
551N97.1Very high96.1Very high31 Ų3156.8 Ų56.817%0.16626%0.264CS..Hα-helixtrans-65-35.7178.7-169.926.4000111.5L547 D548 K549 Y554 K555L547-N551 VanDerWaalsContact O-CB 3.27Å; L547-N551 WeakPolarHBondContact O-CB 3.45Å; L547-N551 PolarHBondContact O-N 2.83Å; D548-N551 PolarHBondContact O-N 3.36Å; K549-N551 VanDerWaalsContact C-N 3.35Å; N551-Y554 PolarHBondContact O-N 2.68Å; N551-K555 WeakPolarHBondContact O-CG 2.9Å; N551-K555 PolarHBondContact O-N 3.1Å
552F96.9Very high95.5Very high135 Ų13559.3 Ų59.359%0.59228%0.278SS*.Hα-helixtrans-58.8-49.3172.2-179.2-95.4000111.8D548 K549 M550 K555 Q556D548-F552 PolarHBondContact O-N 2.9Å; K549-F552 WeakPolarHBondContact O-CB 3.29Å; K549-F552 PolarHBondContact O-N 2.87Å; M550-F552 VanDerWaalsContact C-N 3.31Å; M550-F552 PolarHBondContact O-N 2.86Å; F552-K555 PolarHBondContact O-N 3.35Å; F552-Q556 PolarHBondContact O-N 2.99Å
553I97.3Very high95Very high13 Ų1360.4 Ų60.47%0.06728%0.279CS..Hα-helixtrans-63.2-45177-64.6168000110.8K549 M550 K555 Q556 F557 D577 N580 F581 L584K549-I553 PolarHBondContact O-N 3Å; M550-I553 PolarHBondContact O-N 3.38Å; I553-K555 VanDerWaalsContact C-N 3.28Å; I553-K555 PolarHBondContact O-N 3.43Å; I553-Q556 WeakPolarHBondContact O-CA 3.49Å; I553-Q556 WeakPolarHBondContact O-CB 3.38Å; I553-Q556 PolarHBondContact O-N 2.81Å; I553-F557 HydrophobicContact CG2-CD1 4.3Å; I553-F557 HydrophobicContact CG2-CE1 3.83Å; I553-F557 HydrophobicContact CG2-CE2 4.09Å; I553-F557 HydrophobicContact CG2-CZ 3.71Å; I553-F557 PolarHBondContact O-N 3.17Å; I553-D577 HydrophobicContact CG2-CB 3.85Å; I553-N580 HydrophobicContact CD1-CB 4.32Å; I553-F581 HydrophobicContact CB-CD2 3.96Å; I553-F581 HydrophobicContact CD1-CB 4.11Å; I553-F581 HydrophobicContact CD1-CD2 4.39Å; I553-F581 HydrophobicContact CG2-CB 4.31Å; I553-F581 HydrophobicContact CG2-CD2 3.85Å; I553-L584 HydrophobicContact CD1-CD1 4.33Å
554Y97.2Very high94.3Very high10 Ų1067.4 Ų67.44%0.03932%0.324CS..Hα-helixtrans-56.9-40177.3168.4-103.3000112.7P101 Y412 A415 K416 L419 M550 N551 Q556 F557 K558P101-Y554 HydrophobicContact CG-CE1 3.95Å; P101-Y554 HydrophobicContact CG-CE2 4.48Å; Y412-Y554 HydrophobicContact CD2-CD2 4.34Å; Y412-Y554 AromaticContact CD2-CE2 3.76Å; Y412-Y554 HydrophobicContact CD2-CE2 3.76Å; Y412-Y554 HydrophobicContact CE2-CD2 4.24Å; Y412-Y554 AromaticContact CE2-CE2 3.31Å; Y412-Y554 HydrophobicContact CE2-CE2 3.31Å; Y412-Y554 AromaticContact CE2-CZ 3.53Å; Y412-Y554 WeakPolarHBondContact CE2-OH 3.44Å; Y412-Y554 PolarHBondContact OH-OH 3.28Å; A415-Y554 HydrophobicContact CB-CD2 4.05Å; K416-Y554 HydrophobicContact CB-CE2 3.87Å; K416-Y554 HydrophobicContact CG-CE2 4.41Å; L419-Y554 HydrophobicContact CD1-CD1 3.8Å; L419-Y554 HydrophobicContact CD1-CD2 3.85Å; L419-Y554 HydrophobicContact CD1-CG 3.37Å; M550-Y554 WeakPolarHBondContact O-CB 3.49Å; M550-Y554 PolarHBondContact O-N 3.4Å; N551-Y554 PolarHBondContact O-N 2.68Å; Y554-Q556 VanDerWaalsContact C-N 3.26Å; Y554-Q556 PolarHBondContact O-N 3.42Å; Y554-F557 PolarHBondContact O-N 3.22Å; Y554-K558 WeakPolarHBondContact O-CB 3.29Å; Y554-K558 PolarHBondContact O-N 2.99Å
555K95.4Very high93.7Very high112 Ų11266.7 Ų66.749%0.48733%0.331SS..Hα-helixtrans-62.1-33.6174.8-74.9172.3-177.6176.30111.9N551 F552 I553 K559N551-K555 WeakPolarHBondContact O-CG 2.9Å; N551-K555 PolarHBondContact O-N 3.1Å; F552-K555 PolarHBondContact O-N 3.35Å; I553-K555 VanDerWaalsContact C-N 3.28Å; I553-K555 PolarHBondContact O-N 3.43Å; K555-K559 WeakPolarHBondContact O-CG 3.37Å; K555-K559 PolarHBondContact O-N 2.87Å
556Q94.6Very high93.4Very high72 Ų7265.5 Ų65.534%0.33632%0.32SS..Hα-helixtrans-69.8-45.3173.3-55.8-56.3-2100111.4F552 I553 Y554 K558 K559 S560F552-Q556 PolarHBondContact O-N 2.99Å; I553-Q556 WeakPolarHBondContact O-CA 3.49Å; I553-Q556 WeakPolarHBondContact O-CB 3.38Å; I553-Q556 PolarHBondContact O-N 2.81Å; Y554-Q556 VanDerWaalsContact C-N 3.26Å; Y554-Q556 PolarHBondContact O-N 3.42Å; Q556-K558 VanDerWaalsContact C-N 3.26Å; Q556-K558 PolarHBondContact O-N 3.03Å; Q556-K559 WeakPolarHBondContact O-CB 3.25Å; Q556-K559 PolarHBondContact O-N 2.86Å; Q556-S560 PolarHBondContact O-N 2.97Å; Q556-S560 PolarHBondContact O-OG 3.5Å
557F95.4Very high93.2Very high1 Ų167.1 Ų67.10%0.00434%0.337CS..Hα-helixtrans-60.3-38.2175.3-68.82.2000111.7F402 A415 I553 Y554 K559 S560 R561 H574 D577 K578F402-F557 HydrophobicContact CE1-CE2 4Å; F402-F557 HydrophobicContact CZ-CE2 4.2Å; A415-F557 HydrophobicContact CB-CD2 3.8Å; A415-F557 HydrophobicContact CB-CE2 4.27Å; I553-F557 HydrophobicContact CG2-CD1 4.3Å; I553-F557 HydrophobicContact CG2-CE1 3.83Å; I553-F557 HydrophobicContact CG2-CE2 4.09Å; I553-F557 HydrophobicContact CG2-CZ 3.71Å; I553-F557 PolarHBondContact O-N 3.17Å; Y554-F557 PolarHBondContact O-N 3.22Å; F557-K559 VanDerWaalsContact C-N 3.29Å; F557-K559 PolarHBondContact O-N 3.2Å; F557-S560 WeakPolarHBondContact CA-OG 3.46Å; F557-S560 PolarHBondContact O-N 2.87Å; F557-S560 PolarHBondContact O-OG 3.47Å; F557-R561 WeakPolarHBondContact O-CB 3.43Å; F557-R561 PolarHBondContact O-N 3.1Å; F557-H574 AromaticContact CD1-CE1 3.43Å; F557-H574 VanDerWaalsContact CD1-CE1 3.43Å; F557-H574 WeakPolarHBondContact CD1-CE1 3.49Å; F557-H574 AromaticContact CD1-ND1 3.51Å; F557-H574 AromaticContact CE1-CE1 3.38Å; F557-H574 WeakPolarHBondContact CE1-CE1 3.33Å; F557-H574 AromaticContact CE1-ND1 3.34Å; F557-H574 VanDerWaalsContact CE1-ND1 3.34Å; F557-H574 WeakPolarHBondContact CE1-ND1 3.19Å; F557-H574 AromaticContact CZ-CE1 3.91Å; F557-D577 HydrophobicContact CE1-CB 3.93Å; F557-D577 HydrophobicContact CZ-CB 4.07Å; F557-K578 HydrophobicContact CE2-CG 4.14Å; F557-K578 HydrophobicContact CZ-CG 3.73Å
558K93.4Very high93Very high96 Ų9675.2 Ų75.242%0.41737%0.369SS..Hα-helixtrans-60.3-38.6174.8-169.9176-179.4175.30112Y412 Y554 Q556 R561Y412-K558 HydrophobicContact CD2-CB 4.05Å; Y412-K558 HydrophobicContact CD2-CG 4.49Å; Y412-K558 HydrophobicContact CE2-CB 3.72Å; Y412-K558 HydrophobicContact CE2-CD 4.42Å; Y412-K558 HydrophobicContact CE2-CG 3.78Å; Y554-K558 WeakPolarHBondContact O-CB 3.29Å; Y554-K558 PolarHBondContact O-N 2.99Å; Q556-K558 VanDerWaalsContact C-N 3.26Å; Q556-K558 PolarHBondContact O-N 3.03Å; K558-R561 WeakPolarHBondContact O-CD 3.39Å; K558-R561 WeakPolarHBondContact O-CG 3.41Å
559K91.6Very high92.8Very high153 Ų15376.7 Ų76.767%0.66538%0.377SS*.Hα-helixtrans-72.3-39.2177-70.9174.4-177.7-179.40112K555 Q556 F557K555-K559 WeakPolarHBondContact O-CG 3.37Å; K555-K559 PolarHBondContact O-N 2.87Å; Q556-K559 WeakPolarHBondContact O-CB 3.25Å; Q556-K559 PolarHBondContact O-N 2.86Å; F557-K559 VanDerWaalsContact C-N 3.29Å; F557-K559 PolarHBondContact O-N 3.2Å
560S91.1Very high92.7Very high12 Ų1275.4 Ų75.48%0.08437%0.373CS..Hα-helixtrans-81.6-21.2-176.462.30000114.3L408 Q556 F557 M562 R563L408-S560 WeakPolarHBondContact CD1-O 3.19Å; Q556-S560 PolarHBondContact O-N 2.97Å; Q556-S560 PolarHBondContact O-OG 3.5Å; F557-S560 WeakPolarHBondContact CA-OG 3.46Å; F557-S560 PolarHBondContact O-N 2.87Å; F557-S560 PolarHBondContact O-OG 3.47Å; S560-M562 PolarHBondContact O-N 3.45Å; S560-R563 VanDerWaalsContact O-CB 3.29Å; S560-R563 WeakPolarHBondContact O-CB 3.47Å; S560-R563 PolarHBondContact O-N 2.98Å
561R90.3Very high92.5Very high72 Ų7278.4 Ų78.427%0.27239%0.387SS..THydrogen-bonded Turntrans-51.8-31.5-172.777.9-170.3178.2-165.80116Y412 F557 K558Y412-R561 HydrophobicContact CG-CB 4.22Å; Y412-R561 PolarHBondContact OH-NH1 3.23Å; F557-R561 WeakPolarHBondContact O-CB 3.43Å; F557-R561 PolarHBondContact O-N 3.1Å; K558-R561 WeakPolarHBondContact O-CD 3.39Å; K558-R561 WeakPolarHBondContact O-CG 3.41Å
562M84.1Confident92.4Very high149 Ų14980.6 Ų80.673%0.73440%0.396SS*.THydrogen-bonded Turntrans-94.50.2-178.4-58.1-55.7-66.900113S560S560-M562 PolarHBondContact O-N 3.45Å
563R87.4Confident92.3Very high103 Ų10379 Ų7939%0.38939%0.392SS..SBendtrans-75.4141.6177.9-66178.862.6177.7-4.8109.5L408 S560 G565 E570L408-R563 HydrophobicContact CD1-CB 4.22Å; S560-R563 VanDerWaalsContact O-CB 3.29Å; S560-R563 WeakPolarHBondContact O-CB 3.47Å; S560-R563 PolarHBondContact O-N 2.98Å; R563-G565 PolarHBondContact O-N 3.37Å; R563-E570 IonicContact CZ-OE1 2.78Å; R563-E570 IonicContact CZ-OE2 3.41Å; R563-E570 IonicContact NH1-OE1 2.69Å; R563-E570 PolarHBondContact NH1-OE1 3.45Å; R563-E570 IonicContact NH1-OE2 3.36Å; R563-E570 PolarHBondContact NH1-OE2 3.34Å; R563-E570 IonicContact NH2-OE1 3.84Å; R563-E570 PolarHBondContact NH2-OE1 2.93Å; R563-E570 IonicContact NH2-OE2 3.55Å; R563-E570 PolarHBondContact NH2-OE2 3.37Å
564P84.1Confident92.2Very high146 Ų14678.7 Ų78.795%0.94839%0.391SS*.SBendtrans-66.2-19.5175.925.8-33.1000113
565G85.3Confident92.1Very high37 Ų3781.4 Ų81.438%0.38140%0.403SS..  trans178.8172.7176.600000111.8R563R563-G565 PolarHBondContact O-N 3.37Å
566L91.6Very high92.1Very high34 Ų3480.7 Ų80.718%0.17840%0.404CS..  trans-110.2149.2174.9-64.5-178.5000109.8L408 E570 E571 H574L408-L566 HydrophobicContact CD1-CD2 4.3Å; L408-L566 HydrophobicContact CD1-CG 4.06Å; L408-L566 HydrophobicContact CD2-CD1 3.59Å; L408-L566 HydrophobicContact CD2-CG 3.91Å; L566-E570 HydrophobicContact CB-CB 3.96Å; L566-E570 HydrophobicContact CD2-CB 4.33Å; L566-E570 HydrophobicContact CG-CB 4.5Å; L566-E571 HydrophobicContact CB-CB 4.17Å; L566-H574 HydrophobicContact CD1-CB 3.67Å
567G92.9Very high92.2Very high37 Ų3779 Ų7938%0.38140%0.397SS..  trans-68164.2167.600000111.4N569 E570 E571G567-N569 PolarHBondContact O-N 3.09Å; G567-E570 PolarHBondContact N-OE2 3.03Å; G567-E570 PolarHBondContact O-N 3.2Å; G567-E570 VanDerWaalsContact O-N 3.11Å; G567-E571 PolarHBondContact O-N 3.32Å
568Y93.3Very high92.2Very high170 Ų17079.5 Ų79.567%0.66740%0.399SS*.Hα-helixtrans-50.8-51.7-175.5177-96.5000113.4E571 Q572Y568-E571 PolarHBondContact O-N 3.47Å; Y568-Q572 HydrophobicContact CE1-CG 4.19Å; Y568-Q572 WeakPolarHBondContact O-CG 3.36Å; Y568-Q572 PolarHBondContact O-N 2.89Å; Y568-Q572 VanDerWaalsContact O-N 3.07Å
569N94.7Very high92.3Very high118 Ų11881.3 Ų81.363%0.63141%0.411SS*.Hα-helixtrans-64.8-41.4180-69.8-23.1000112.4G567 E571 Q572 I573G567-N569 PolarHBondContact O-N 3.09Å; N569-E571 VanDerWaalsContact C-N 3.31Å; N569-E571 PolarHBondContact O-N 3.37Å; N569-Q572 PolarHBondContact O-N 2.97Å; N569-I573 VanDerWaalsContact O-CG1 3.28Å; N569-I573 WeakPolarHBondContact O-CG1 3.32Å; N569-I573 PolarHBondContact O-N 3.04Å
570E94.3Very high92.5Very high82 Ų8277.3 Ų77.338%0.38340%0.397SS..Hα-helixtrans-64.3-37.4177.3-63.6178.7125.600111.5R563 L566 G567 I573 H574R563-E570 IonicContact CZ-OE1 2.78Å; R563-E570 IonicContact CZ-OE2 3.41Å; R563-E570 IonicContact NH1-OE1 2.69Å; R563-E570 PolarHBondContact NH1-OE1 3.45Å; R563-E570 IonicContact NH1-OE2 3.36Å; R563-E570 PolarHBondContact NH1-OE2 3.34Å; R563-E570 IonicContact NH2-OE1 3.84Å; R563-E570 PolarHBondContact NH2-OE1 2.93Å; R563-E570 IonicContact NH2-OE2 3.55Å; R563-E570 PolarHBondContact NH2-OE2 3.37Å; L566-E570 HydrophobicContact CB-CB 3.96Å; L566-E570 HydrophobicContact CD2-CB 4.33Å; L566-E570 HydrophobicContact CG-CB 4.5Å; G567-E570 PolarHBondContact N-OE2 3.03Å; G567-E570 PolarHBondContact O-N 3.2Å; G567-E570 VanDerWaalsContact O-N 3.11Å; E570-I573 PolarHBondContact O-N 3.4Å; E570-H574 WeakPolarHBondContact O-CB 3.08Å; E570-H574 PolarHBondContact O-N 2.75Å
571E94.3Very high92.8Very high64 Ų6476.8 Ų76.830%0.29939%0.393SS..Hα-helixtrans-66.7-40.4176-167.1-170.3139.200111.5V406 L566 G567 Y568 N569 H574 K575V406-E571 HydrophobicContact CB-CG 4.49Å; V406-E571 HydrophobicContact CG1-CG 4.46Å; V406-E571 HydrophobicContact CG2-CG 4.04Å; L566-E571 HydrophobicContact CB-CB 4.17Å; G567-E571 PolarHBondContact O-N 3.32Å; Y568-E571 PolarHBondContact O-N 3.47Å; N569-E571 VanDerWaalsContact C-N 3.31Å; N569-E571 PolarHBondContact O-N 3.37Å; E571-H574 PolarHBondContact O-N 3.43Å; E571-K575 WeakPolarHBondContact O-CG 3.4Å; E571-K575 PolarHBondContact O-N 3.29Å; E571-K575 WeakPolarHBondContact OE1-CE 3.24Å; E571-K575 IonicContact OE1-NZ 3.79Å; E571-K575 PolarHBondContact OE1-NZ 3.35Å
572Q94.9Very high93.1Very high77 Ų7775.2 Ų75.236%0.3639%0.393SS..Hα-helixtrans-64.7-41.6174.4-61.9-49.3-47.300111.6Y568 N569 K575 L576Y568-Q572 HydrophobicContact CE1-CG 4.19Å; Y568-Q572 WeakPolarHBondContact O-CG 3.36Å; Y568-Q572 PolarHBondContact O-N 2.89Å; Y568-Q572 VanDerWaalsContact O-N 3.07Å; N569-Q572 PolarHBondContact O-N 2.97Å; Q572-K575 PolarHBondContact O-N 3.37Å; Q572-L576 PolarHBondContact O-N 3.02Å
573I95.3Very high93.7Very high100 Ų10073.9 Ų73.951%0.51339%0.385SS..Hα-helixtrans-61-46.1174.1-67.3164.1000110.1N569 E570 K575 L576 D577N569-I573 VanDerWaalsContact O-CG1 3.28Å; N569-I573 WeakPolarHBondContact O-CG1 3.32Å; N569-I573 PolarHBondContact O-N 3.04Å; E570-I573 PolarHBondContact O-N 3.4Å; I573-K575 VanDerWaalsContact C-N 3.33Å; I573-K575 PolarHBondContact O-N 3.43Å; I573-L576 WeakPolarHBondContact O-CB 3.47Å; I573-L576 PolarHBondContact O-N 3.35Å; I573-L576 VanDerWaalsContact O-N 3.15Å; I573-D577 WeakPolarHBondContact O-CB 3.44Å; I573-D577 PolarHBondContact O-N 3.41Å
574H95.4Very high94.2Very high8 Ų870.1 Ų70.14%0.03737%0.372CS..Hα-helixtrans-60.8-40.2177.9-174.596.7000112.1D411 F557 L566 E570 E571 D577 K578D411-H574 IonicContact OD2-CD2 2.71Å; D411-H574 IonicContact OD2-CE1 3.08Å; D411-H574 IonicContact OD2-NE2 3.71Å; D411-H574 PolarHBondContact OD2-NE2 3.48Å; F557-H574 AromaticContact CD1-CE1 3.43Å; F557-H574 VanDerWaalsContact CD1-CE1 3.43Å; F557-H574 WeakPolarHBondContact CD1-CE1 3.49Å; F557-H574 AromaticContact CD1-ND1 3.51Å; F557-H574 AromaticContact CE1-CE1 3.38Å; F557-H574 WeakPolarHBondContact CE1-CE1 3.33Å; F557-H574 AromaticContact CE1-ND1 3.34Å; F557-H574 VanDerWaalsContact CE1-ND1 3.34Å; F557-H574 WeakPolarHBondContact CE1-ND1 3.19Å; F557-H574 AromaticContact CZ-CE1 3.91Å; L566-H574 HydrophobicContact CD1-CB 3.67Å; E570-H574 WeakPolarHBondContact O-CB 3.08Å; E570-H574 PolarHBondContact O-N 2.75Å; E571-H574 PolarHBondContact O-N 3.43Å; H574-D577 PolarHBondContact O-N 2.95Å; H574-K578 WeakPolarHBondContact O-CG 3.32Å; H574-K578 PolarHBondContact O-N 3.01Å
575K94.9Very high94.8Very high67 Ų6763.5 Ų63.529%0.29133%0.33SS..Hα-helixtrans-62.6-44.2173.7-74.5171.8-175.3162.40112V406 E571 Q572 I573 K578 M579V406-K575 HydrophobicContact CG2-CD 4.23Å; V406-K575 VanDerWaalsContact CG2-CE 3.49Å; V406-K575 HydrophobicContact CG2-CG 3.63Å; E571-K575 WeakPolarHBondContact O-CG 3.4Å; E571-K575 PolarHBondContact O-N 3.29Å; E571-K575 WeakPolarHBondContact OE1-CE 3.24Å; E571-K575 IonicContact OE1-NZ 3.79Å; E571-K575 PolarHBondContact OE1-NZ 3.35Å; Q572-K575 PolarHBondContact O-N 3.37Å; I573-K575 VanDerWaalsContact C-N 3.33Å; I573-K575 PolarHBondContact O-N 3.43Å; K575-K578 WeakPolarHBondContact O-CB 3.08Å; K575-K578 PolarHBondContact O-N 2.68Å; K575-M579 PolarHBondContact O-N 3.18Å; K575-M579 VanDerWaalsContact O-N 3.16Å
576L95.7Very high95.3Very high97 Ų9769 Ų6951%0.50834%0.343SS..Hα-helixtrans-63-43.3176.5-177.961.8000111.2Q572 I573 K578 M579 N580Q572-L576 PolarHBondContact O-N 3.02Å; I573-L576 WeakPolarHBondContact O-CB 3.47Å; I573-L576 PolarHBondContact O-N 3.35Å; I573-L576 VanDerWaalsContact O-N 3.15Å; L576-K578 VanDerWaalsContact C-N 3.34Å; L576-K578 PolarHBondContact O-N 3.47Å; L576-M579 WeakPolarHBondContact O-CB 3.38Å; L576-M579 PolarHBondContact O-N 3.03Å; L576-M579 VanDerWaalsContact O-N 3.15Å; L576-N580 WeakPolarHBondContact O-CB 3.47Å; L576-N580 PolarHBondContact O-N 3.08Å
577D96.7Very high95.6Very high36 Ų3673.2 Ų73.219%0.19336%0.357CS..Hα-helixtrans-60.9-40.3175.9-80.9-15.4000112I553 F557 I573 H574 M579 N580 F581I553-D577 HydrophobicContact CG2-CB 3.85Å; F557-D577 HydrophobicContact CE1-CB 3.93Å; F557-D577 HydrophobicContact CZ-CB 4.07Å; I573-D577 WeakPolarHBondContact O-CB 3.44Å; I573-D577 PolarHBondContact O-N 3.41Å; H574-D577 PolarHBondContact O-N 2.95Å; D577-M579 VanDerWaalsContact C-N 3.34Å; D577-M579 PolarHBondContact O-N 2.85Å; D577-N580 PolarHBondContact O-N 3.47Å; D577-F581 WeakPolarHBondContact O-CB 3.43Å; D577-F581 PolarHBondContact O-N 2.85Å
578K95.7Very high95.8Very high11 Ų1171.6 Ų71.65%0.04834%0.339CS..Hα-helixtrans-59.2-43.9172.8-73.417265.8157.80112.2F402 V403 K405 D411 F557 H574 K575 L576 S582F402-K578 HydrophobicContact CD1-CD 4.43Å; F402-K578 HydrophobicContact CD1-CG 4.12Å; F402-K578 HydrophobicContact CE1-CG 4.26Å; V403-K578 PolarHBondContact O-NZ 3.34Å; K405-K578 PolarHBondContact O-NZ 2.84Å; D411-K578 VanDerWaalsContact CG-NZ 3.25Å; D411-K578 VanDerWaalsContact OD1-CE 3.25Å; D411-K578 WeakPolarHBondContact OD1-CE 3.4Å; D411-K578 IonicContact OD1-NZ 2.76Å; D411-K578 PolarHBondContact OD1-NZ 3.23Å; D411-K578 WeakPolarHBondContact OD2-CD 3.35Å; D411-K578 IonicContact OD2-NZ 3.5Å; D411-K578 PolarHBondContact OD2-NZ 3.45Å; D411-K578 VanDerWaalsContact OD2-NZ 3.08Å; F557-K578 HydrophobicContact CE2-CG 4.14Å; F557-K578 HydrophobicContact CZ-CG 3.73Å; H574-K578 WeakPolarHBondContact O-CG 3.32Å; H574-K578 PolarHBondContact O-N 3.01Å; K575-K578 WeakPolarHBondContact O-CB 3.08Å; K575-K578 PolarHBondContact O-N 2.68Å; L576-K578 VanDerWaalsContact C-N 3.34Å; L576-K578 PolarHBondContact O-N 3.47Å; K578-S582 WeakPolarHBondContact O-CB 3.13Å; K578-S582 PolarHBondContact O-N 2.86Å; K578-S582 PolarHBondContact O-OG 3.01Å
579M95.1Very high95.9Very high134 Ų13464.8 Ų64.866%0.6631%0.314SS*.Hα-helixtrans-66-48178.2-69.4-178.965.500111.3K575 L576 D577 F581 S582 H583K575-M579 PolarHBondContact O-N 3.18Å; K575-M579 VanDerWaalsContact O-N 3.16Å; L576-M579 WeakPolarHBondContact O-CB 3.38Å; L576-M579 PolarHBondContact O-N 3.03Å; L576-M579 VanDerWaalsContact O-N 3.15Å; D577-M579 VanDerWaalsContact C-N 3.34Å; D577-M579 PolarHBondContact O-N 2.85Å; M579-F581 PolarHBondContact O-N 2.92Å; M579-S582 PolarHBondContact O-N 3.21Å; M579-H583 PolarHBondContact O-N 3.3Å
580N96.4Very high96Very high70 Ų7063.9 Ų63.937%0.37431%0.306SS..Hα-helixtrans-60-45.6177.6-73.5-19.3000111.6I553 L576 D577 S582 H583 L584I553-N580 HydrophobicContact CD1-CB 4.32Å; L576-N580 WeakPolarHBondContact O-CB 3.47Å; L576-N580 PolarHBondContact O-N 3.08Å; D577-N580 PolarHBondContact O-N 3.47Å; N580-S582 VanDerWaalsContact C-N 3.34Å; N580-S582 PolarHBondContact O-N 3.48Å; N580-H583 PolarHBondContact O-N 3.45Å; N580-L584 WeakPolarHBondContact O-CG 3.46Å; N580-L584 PolarHBondContact O-N 3.2Å
581F97.3Very high96.2Very high0 Ų060.7 Ų60.70%029%0.292CS..Hα-helixtrans-59.9-44.4177.2-172-76.4000111.5F402 A415 V418 L419 M550 I553 D577 M579 H583 L584 A585F402-F581 AromaticContact CE2-CD1 3.54Å; F402-F581 HydrophobicContact CE2-CD1 3.54Å; F402-F581 AromaticContact CE2-CE1 3.94Å; F402-F581 HydrophobicContact CE2-CE1 3.94Å; F402-F581 HydrophobicContact CE2-CG 4.39Å; F402-F581 AromaticContact CZ-CD1 3.8Å; F402-F581 HydrophobicContact CZ-CD1 3.8Å; F402-F581 HydrophobicContact CZ-CE1 4.03Å; F402-F581 HydrophobicContact CZ-CG 4.39Å; A415-F581 HydrophobicContact CB-CE1 4.23Å; A415-F581 HydrophobicContact CB-CE2 4.08Å; A415-F581 HydrophobicContact CB-CZ 3.76Å; A415-F581 WeakPolarHBondContact O-CZ 3.37Å; V418-F581 HydrophobicContact CB-CE1 3.67Å; V418-F581 HydrophobicContact CB-CZ 4.26Å; V418-F581 HydrophobicContact CG1-CD1 4.43Å; V418-F581 HydrophobicContact CG1-CE1 3.59Å; V418-F581 HydrophobicContact CG1-CZ 4.35Å; V418-F581 HydrophobicContact CG2-CE1 4.25Å; L419-F581 HydrophobicContact CD1-CE2 4.4Å; L419-F581 HydrophobicContact CD1-CZ 4.43Å; L419-F581 HydrophobicContact CG-CE2 4.25Å; L419-F581 HydrophobicContact CG-CZ 3.94Å; M550-F581 HydrophobicContact CB-CD2 4.04Å; M550-F581 HydrophobicContact CB-CE2 3.74Å; M550-F581 HydrophobicContact CB-CZ 4.31Å; M550-F581 HydrophobicContact CE-CD1 4.36Å; M550-F581 HydrophobicContact CE-CE1 3.79Å; M550-F581 HydrophobicContact CE-CE2 4.27Å; M550-F581 HydrophobicContact CE-CZ 3.74Å; M550-F581 HydrophobicContact CG-CD2 4.21Å; M550-F581 HydrophobicContact CG-CE2 4.25Å; M550-F581 WeakPolarHBondContact O-CE2 3.35Å; I553-F581 HydrophobicContact CB-CD2 3.96Å; I553-F581 HydrophobicContact CD1-CB 4.11Å; I553-F581 HydrophobicContact CD1-CD2 4.39Å; I553-F581 HydrophobicContact CG2-CB 4.31Å; I553-F581 HydrophobicContact CG2-CD2 3.85Å; D577-F581 WeakPolarHBondContact O-CB 3.43Å; D577-F581 PolarHBondContact O-N 2.85Å; M579-F581 PolarHBondContact O-N 2.92Å; F581-H583 VanDerWaalsContact C-N 3.34Å; F581-H583 PolarHBondContact O-N 3.24Å; F581-L584 PolarHBondContact O-N 3.42Å; F581-A585 WeakPolarHBondContact O-CB 3.48Å; F581-A585 PolarHBondContact O-N 2.67Å
582S95.7Very high96.3Very high39 Ų3957.6 Ų57.627%0.27328%0.278SS..Hα-helixtrans-64.5-37.4176.6-59.40000112.4F402 K578 M579 N580 K586F402-S582 VanDerWaalsContact CD2-OG 3.31Å; F402-S582 WeakPolarHBondContact CD2-OG 3.42Å; K578-S582 WeakPolarHBondContact O-CB 3.13Å; K578-S582 PolarHBondContact O-N 2.86Å; K578-S582 PolarHBondContact O-OG 3.01Å; M579-S582 PolarHBondContact O-N 3.21Å; N580-S582 VanDerWaalsContact C-N 3.34Å; N580-S582 PolarHBondContact O-N 3.48Å; S582-K586 WeakPolarHBondContact O-CG 3.47Å; S582-K586 PolarHBondContact O-N 3.23Å; S582-K586 VanDerWaalsContact O-N 3.08Å
583H96.4Very high96.4Very high122 Ų12256.2 Ų56.257%0.56527%0.272SS*.Hα-helixtrans-66.4-45.3175.5178.174.9000111.8M579 N580 F581 A585 K586 R587M579-H583 PolarHBondContact O-N 3.3Å; N580-H583 PolarHBondContact O-N 3.45Å; F581-H583 VanDerWaalsContact C-N 3.34Å; F581-H583 PolarHBondContact O-N 3.24Å; H583-A585 VanDerWaalsContact C-N 3.34Å; H583-A585 PolarHBondContact O-N 2.69Å; H583-K586 PolarHBondContact O-N 3.5Å; H583-R587 PolarHBondContact O-N 2.77Å
584L97.8Very high96.4Very high23 Ų2355.6 Ų55.612%0.1227%0.266CS..Hα-helixtrans-59.9-43.9175.4-70.8166.9000111.7K549 M550 I553 N580 F581 R587 L588K549-L584 HydrophobicContact CB-CD1 3.67Å; K549-L584 HydrophobicContact CB-CD2 4.35Å; K549-L584 HydrophobicContact CD-CD2 4.05Å; M550-L584 HydrophobicContact CG-CB 3.59Å; M550-L584 HydrophobicContact CG-CD1 3.94Å; M550-L584 HydrophobicContact CG-CG 4.41Å; M550-L584 HydrophobicContact SD-CB 3.92Å; I553-L584 HydrophobicContact CD1-CD1 4.33Å; N580-L584 WeakPolarHBondContact O-CG 3.46Å; N580-L584 PolarHBondContact O-N 3.2Å; F581-L584 PolarHBondContact O-N 3.42Å; L584-R587 PolarHBondContact O-N 2.94Å; L584-L588 WeakPolarHBondContact O-CB 3.41Å; L584-L588 PolarHBondContact O-N 3.28Å
585A96.9Very high96.4Very high8 Ų858.8 Ų58.87%0.06628%0.281CS..Hα-helixtrans-61.6-44.4177.300000112.2V418 M550 F581 H583 L588 L589V418-A585 HydrophobicContact CG1-CB 3.5Å; M550-A585 HydrophobicContact CE-CB 3.81Å; M550-A585 HydrophobicContact SD-CB 4.29Å; F581-A585 WeakPolarHBondContact O-CB 3.48Å; F581-A585 PolarHBondContact O-N 2.67Å; H583-A585 VanDerWaalsContact C-N 3.34Å; H583-A585 PolarHBondContact O-N 2.69Å; A585-L588 PolarHBondContact O-N 2.97Å; A585-L589 VanDerWaalsContact O-CG 3.31Å; A585-L589 WeakPolarHBondContact O-CG 3.43Å; A585-L589 PolarHBondContact O-N 3.34Å
586K95.9Very high96.5Very high153 Ų15355.9 Ų55.967%0.66527%0.269SS*.Hα-helixtrans-60.7-47.3175.7-74.9177-178.5-177.50111.8S582 H583 L588 L589 Q590S582-K586 WeakPolarHBondContact O-CG 3.47Å; S582-K586 PolarHBondContact O-N 3.23Å; S582-K586 VanDerWaalsContact O-N 3.08Å; H583-K586 PolarHBondContact O-N 3.5Å; K586-L588 VanDerWaalsContact C-N 3.34Å; K586-L588 PolarHBondContact O-N 2.93Å; K586-L589 PolarHBondContact O-N 2.9Å; K586-Q590 WeakPolarHBondContact O-CB 3.34Å; K586-Q590 PolarHBondContact O-N 3.19Å
587R97.1Very high96.5Very high122 Ų12251.6 Ų51.646%0.4625%0.247SC..Hα-helixtrans-60.3-44.1177.6-179.1179.3173.2177-0.8111.7H583 L584 Q590 V591H583-R587 PolarHBondContact O-N 2.77Å; L584-R587 PolarHBondContact O-N 2.94Å; R587-Q590 PolarHBondContact O-N 2.98Å; R587-V591 WeakPolarHBondContact O-CG2 3.36Å; R587-V591 PolarHBondContact O-N 3.16Å
588L97.7Very high96.5Very high2 Ų255.2 Ų55.21%0.0126%0.263CS..Hα-helixtrans-57.9-50.8177.5-179.3160.3000111.4A425 I543 C546 L547 M550 L584 A585 K586 Q590 V591 F592A425-L588 HydrophobicContact CB-CD2 3.87Å; I543-L588 HydrophobicContact CB-CG 4.47Å; I543-L588 HydrophobicContact CG1-CG 4.42Å; I543-L588 HydrophobicContact CG2-CD1 4.05Å; I543-L588 HydrophobicContact CG2-CD2 4.29Å; I543-L588 HydrophobicContact CG2-CG 3.92Å; C546-L588 HydrophobicContact CB-CB 3.97Å; C546-L588 HydrophobicContact CB-CD1 4.09Å; C546-L588 HydrophobicContact CB-CG 4.42Å; L547-L588 HydrophobicContact CD1-CD1 4.32Å; L547-L588 HydrophobicContact CD2-CD1 3.65Å; L547-L588 HydrophobicContact CG-CD1 3.53Å; M550-L588 HydrophobicContact SD-CD1 4.28Å; L584-L588 WeakPolarHBondContact O-CB 3.41Å; L584-L588 PolarHBondContact O-N 3.28Å; A585-L588 PolarHBondContact O-N 2.97Å; K586-L588 VanDerWaalsContact C-N 3.34Å; K586-L588 PolarHBondContact O-N 2.93Å; L588-Q590 VanDerWaalsContact C-N 3.3Å; L588-Q590 PolarHBondContact O-N 2.73Å; L588-V591 PolarHBondContact O-N 2.9Å; L588-F592 PolarHBondContact O-N 3.26Å
589L96.3Very high96.4Very high27 Ų2758.2 Ų58.214%0.14128%0.276CS..Hα-helixtrans-66.7-33.9-179.1-65.9168.1000111.9P395 A396 V399 A585 K586 F592 Q593P395-L589 HydrophobicContact CB-CD2 4.33Å; A396-L589 HydrophobicContact CB-CD1 4.39Å; A396-L589 HydrophobicContact CB-CD2 4.36Å; V399-L589 HydrophobicContact CG2-CD1 3.87Å; A585-L589 VanDerWaalsContact O-CG 3.31Å; A585-L589 WeakPolarHBondContact O-CG 3.43Å; A585-L589 PolarHBondContact O-N 3.34Å; K586-L589 PolarHBondContact O-N 2.9Å; L589-F592 PolarHBondContact O-N 2.84Å; L589-Q593 WeakPolarHBondContact O-CB 3.36Å; L589-Q593 WeakPolarHBondContact O-CG 3.11Å; L589-Q593 PolarHBondContact O-N 2.71Å
590Q96.4Very high96.5Very high100 Ų10052.4 Ų52.447%0.46725%0.247SC..Hα-helixtrans-62.6-50.2173.5-173.8-179.64.500111.2K586 R587 L588 F592 Q593 E594K586-Q590 WeakPolarHBondContact O-CB 3.34Å; K586-Q590 PolarHBondContact O-N 3.19Å; R587-Q590 PolarHBondContact O-N 2.98Å; L588-Q590 VanDerWaalsContact C-N 3.3Å; L588-Q590 PolarHBondContact O-N 2.73Å; Q590-F592 VanDerWaalsContact C-N 3.29Å; Q590-F592 PolarHBondContact O-N 2.84Å; Q590-Q593 PolarHBondContact O-N 2.74Å; Q590-E594 HydrophobicContact CG-CG 4.22Å; Q590-E594 VanDerWaalsContact CG-OE1 3.29Å; Q590-E594 WeakPolarHBondContact CG-OE1 3.23Å; Q590-E594 WeakPolarHBondContact CG-OE2 3.44Å; Q590-E594 PolarHBondContact NE2-OE1 2.93Å; Q590-E594 PolarHBondContact NE2-OE2 3.25Å; Q590-E594 VanDerWaalsContact NE2-OE2 3.08Å; Q590-E594 WeakPolarHBondContact O-CB 3.46Å; Q590-E594 PolarHBondContact O-N 3.26Å
591V97.8Very high96.4Very high14 Ų1454.4 Ų54.49%0.08525%0.254CS..Hα-helixtrans-58.8-42.6175.5173.40000110.8Q542 I543 R587 L588 Q593 E595 C596Q542-V591 HydrophobicContact CB-CG1 4.23Å; I543-V591 HydrophobicContact CD1-CG1 4.31Å; I543-V591 HydrophobicContact CG1-CB 4.32Å; I543-V591 HydrophobicContact CG1-CG1 3.92Å; R587-V591 WeakPolarHBondContact O-CG2 3.36Å; R587-V591 PolarHBondContact O-N 3.16Å; L588-V591 PolarHBondContact O-N 2.9Å; V591-Q593 PolarHBondContact O-N 3.42Å; V591-E595 HydrophobicContact CG1-CB 4.21Å; V591-E595 HydrophobicContact CG1-CG 4.36Å; V591-E595 WeakPolarHBondContact O-CA 3.42Å; V591-E595 VanDerWaalsContact O-CB 3.26Å; V591-E595 WeakPolarHBondContact O-CB 3.47Å; V591-E595 PolarHBondContact O-N 2.77Å; V591-C596 PolarHBondContact O-N 2.9Å
592F97.7Very high96.3Very high0 Ų057.1 Ų57.10%028%0.276CS..Iπ-helixtrans-58.3-48175.9174.9-106.1000112F392 P395 A425 L428 A429 L432 I543 L588 L589 Q590 C596 V597F392-F592 HydrophobicContact CE2-CE1 4.29Å; F392-F592 AromaticContact CE2-CZ 3.93Å; F392-F592 HydrophobicContact CE2-CZ 3.93Å; P395-F592 HydrophobicContact CG-CE1 4.06Å; P395-F592 HydrophobicContact CG-CZ 4.34Å; A425-F592 HydrophobicContact CB-CB 4.2Å; A425-F592 HydrophobicContact CB-CD1 4.27Å; A425-F592 HydrophobicContact CB-CD2 3.93Å; A425-F592 HydrophobicContact CB-CE2 4.42Å; A425-F592 HydrophobicContact CB-CG 3.85Å; A425-F592 WeakPolarHBondContact O-CD2 3.39Å; A425-F592 WeakPolarHBondContact O-CE2 3.45Å; L428-F592 HydrophobicContact CB-CE2 3.66Å; L428-F592 HydrophobicContact CB-CZ 3.86Å; L428-F592 HydrophobicContact CD1-CZ 4Å; A429-F592 HydrophobicContact CB-CD2 4.19Å; A429-F592 HydrophobicContact CB-CE2 4.47Å; L432-F592 HydrophobicContact CD1-CE2 4.4Å; I543-F592 HydrophobicContact CD1-CB 4.15Å; L588-F592 PolarHBondContact O-N 3.26Å; L589-F592 PolarHBondContact O-N 2.84Å; Q590-F592 VanDerWaalsContact C-N 3.29Å; Q590-F592 PolarHBondContact O-N 2.84Å; F592-C596 HydrophobicContact CD2-CB 4.22Å; F592-C596 WeakPolarHBondContact O-CA 3.43Å; F592-C596 WeakPolarHBondContact O-CB 3.38Å; F592-C596 PolarHBondContact O-N 2.76Å; F592-V597 HydrophobicContact CD1-CG2 4.16Å; F592-V597 HydrophobicContact CE1-CG2 3.64Å; F592-V597 HydrophobicContact CE2-CG2 4.12Å; F592-V597 HydrophobicContact CZ-CG2 3.63Å; F592-V597 PolarHBondContact O-N 3.35Å
593Q96.4Very high96.3Very high48 Ų4856.4 Ų56.422%0.22427%0.271CS..Iπ-helixtrans-70.9-51.5-177.9-73.1-61.8-27.900113D394 L589 Q590 V591 Q598D394-Q593 PolarHBondContact OD1-NE2 2.81Å; D394-Q593 PolarHBondContact OD2-NE2 3.35Å; L589-Q593 WeakPolarHBondContact O-CB 3.36Å; L589-Q593 WeakPolarHBondContact O-CG 3.11Å; L589-Q593 PolarHBondContact O-N 2.71Å; Q590-Q593 PolarHBondContact O-N 2.74Å; V591-Q593 PolarHBondContact O-N 3.42Å; Q593-Q598 WeakPolarHBondContact O-CG 3.44Å; Q593-Q598 PolarHBondContact O-N 2.87Å; Q593-Q598 VanDerWaalsContact O-N 3.1Å
594E95.1Very high96.2Very high86 Ų8652 Ų5240%0.40225%0.252SS..Iπ-helixtrans-77.1-43.5-173.1-65.4174.6-175.500111.9Q590Q590-E594 HydrophobicContact CG-CG 4.22Å; Q590-E594 VanDerWaalsContact CG-OE1 3.29Å; Q590-E594 WeakPolarHBondContact CG-OE1 3.23Å; Q590-E594 WeakPolarHBondContact CG-OE2 3.44Å; Q590-E594 PolarHBondContact NE2-OE1 2.93Å; Q590-E594 PolarHBondContact NE2-OE2 3.25Å; Q590-E594 VanDerWaalsContact NE2-OE2 3.08Å; Q590-E594 WeakPolarHBondContact O-CB 3.46Å; Q590-E594 PolarHBondContact O-N 3.26Å
595E95.8Very high96Very high76 Ų7655 Ų5536%0.35527%0.271SS..Iπ-helixtrans-95.9-25.6-172.9-60.1-66.3139.200113.5V591 K599V591-E595 HydrophobicContact CG1-CB 4.21Å; V591-E595 HydrophobicContact CG1-CG 4.36Å; V591-E595 WeakPolarHBondContact O-CA 3.42Å; V591-E595 VanDerWaalsContact O-CB 3.26Å; V591-E595 WeakPolarHBondContact O-CB 3.47Å; V591-E595 PolarHBondContact O-N 2.77Å; E595-K599 WeakPolarHBondContact O-CB 3.18Å; E595-K599 WeakPolarHBondContact O-CD 3.43Å; E595-K599 WeakPolarHBondContact O-CE 3.08Å; E595-K599 VanDerWaalsContact O-CG 3.27Å; E595-K599 WeakPolarHBondContact O-CG 3.41Å; E595-K599 WeakPolarHBondContact OE2-CE 3.35Å; E595-K599 IonicContact OE2-NZ 3.2Å; E595-K599 PolarHBondContact OE2-NZ 2.78Å
596C96.8Very high95.9Very high6 Ų657.2 Ų57.24%0.04128%0.284CS..Iπ-helixtrans-101.1-58.6-179.8-46.20000111.6A429 S539 V591 F592 Y600A429-C596 HydrophobicContact CB-CB 4.25Å; S539-C596 PolarHBondContact OG-SG 2.77Å; V591-C596 PolarHBondContact O-N 2.9Å; F592-C596 HydrophobicContact CD2-CB 4.22Å; F592-C596 WeakPolarHBondContact O-CA 3.43Å; F592-C596 WeakPolarHBondContact O-CB 3.38Å; F592-C596 PolarHBondContact O-N 2.76Å; C596-Y600 VanDerWaalsContact O-CB 3.23Å; C596-Y600 WeakPolarHBondContact O-CB 3.38Å; C596-Y600 PolarHBondContact O-N 2.71Å
597V96.6Very high95.8Very high7 Ų750.1 Ų50.14%0.04225%0.253CS..Iπ-helixtrans-69.1-50.4-172.3177.10000111.7F392 L432 F592 K599 Y600 Q601F392-V597 HydrophobicContact CE2-CG2 4.23Å; F392-V597 HydrophobicContact CZ-CG1 4.14Å; F392-V597 HydrophobicContact CZ-CG2 3.82Å; L432-V597 HydrophobicContact CD1-CG2 4.09Å; F592-V597 HydrophobicContact CD1-CG2 4.16Å; F592-V597 HydrophobicContact CE1-CG2 3.64Å; F592-V597 HydrophobicContact CE2-CG2 4.12Å; F592-V597 HydrophobicContact CZ-CG2 3.63Å; F592-V597 PolarHBondContact O-N 3.35Å; V597-K599 PolarHBondContact O-N 2.71Å; V597-Y600 PolarHBondContact O-N 2.8Å; V597-Q601 HydrophobicContact CG1-CG 4.46Å; V597-Q601 WeakPolarHBondContact O-CG 3.04Å; V597-Q601 PolarHBondContact O-N 3.4Å
598Q95.6Very high95.6Very high112 Ų11244.9 Ų44.952%0.52324%0.237SC..Hα-helixtrans-64-42.8-179-70.3176.314.800112.2Q593 Q601 A602Q593-Q598 WeakPolarHBondContact O-CG 3.44Å; Q593-Q598 PolarHBondContact O-N 2.87Å; Q593-Q598 VanDerWaalsContact O-N 3.1Å; Q598-Q601 PolarHBondContact O-N 3.23Å; Q598-A602 WeakPolarHBondContact O-CB 3.46Å; Q598-A602 PolarHBondContact O-N 3.48Å
599K94.8Very high95.4Very high74 Ų7450.4 Ų50.432%0.32226%0.261SS..Hα-helixtrans-61.3-44.7174.8-68.7-166.8-163161.60112D537 E595 V597 Q601 A602 S603D537-K599 IonicContact OD2-NZ 3.82Å; D537-K599 PolarHBondContact OD2-NZ 3.49Å; E595-K599 WeakPolarHBondContact O-CB 3.18Å; E595-K599 WeakPolarHBondContact O-CD 3.43Å; E595-K599 WeakPolarHBondContact O-CE 3.08Å; E595-K599 VanDerWaalsContact O-CG 3.27Å; E595-K599 WeakPolarHBondContact O-CG 3.41Å; E595-K599 WeakPolarHBondContact OE2-CE 3.35Å; E595-K599 IonicContact OE2-NZ 3.2Å; E595-K599 PolarHBondContact OE2-NZ 2.78Å; V597-K599 PolarHBondContact O-N 2.71Å; K599-Q601 PolarHBondContact O-N 3.13Å; K599-A602 PolarHBondContact O-N 3.28Å; K599-S603 WeakPolarHBondContact O-CB 3.27Å; K599-S603 PolarHBondContact O-N 3.31Å
600Y95.8Very high95.2Very high11 Ų1150.1 Ų50.14%0.04326%0.258CS..Hα-helixtrans-59.1-45.6175.6174.8-98.3000112G389 L390 L432 Q436 M439 C596 V597 A602 S603 L604G389-Y600 WeakPolarHBondContact CA-OH 3.2Å; L390-Y600 PolarHBondContact N-OH 3.45Å; L432-Y600 HydrophobicContact CB-CD2 4.07Å; L432-Y600 HydrophobicContact CB-CG 4.22Å; L432-Y600 HydrophobicContact CD2-CD1 3.68Å; L432-Y600 HydrophobicContact CD2-CD2 3.88Å; L432-Y600 HydrophobicContact CD2-CE1 3.8Å; L432-Y600 HydrophobicContact CD2-CE2 4.03Å; L432-Y600 HydrophobicContact CD2-CG 3.71Å; L432-Y600 HydrophobicContact CG-CG 4.38Å; L432-Y600 WeakPolarHBondContact O-CD2 3.41Å; Q436-Y600 HydrophobicContact CG-CD2 3.89Å; M439-Y600 HydrophobicContact CE-CE2 4.16Å; C596-Y600 VanDerWaalsContact O-CB 3.23Å; C596-Y600 WeakPolarHBondContact O-CB 3.38Å; C596-Y600 PolarHBondContact O-N 2.71Å; V597-Y600 PolarHBondContact O-N 2.8Å; Y600-A602 PolarHBondContact O-N 3.4Å; Y600-S603 WeakPolarHBondContact O-CB 3.41Å; Y600-S603 PolarHBondContact O-N 3.13Å; Y600-L604 HydrophobicContact CE1-CD2 4.5Å; Y600-L604 WeakPolarHBondContact O-CB 3.39Å; Y600-L604 PolarHBondContact O-N 3.39Å
601Q95.4Very high95.1Very high113 Ų11345.7 Ų45.753%0.52824%0.238SC..Hα-helixtrans-62.2-43.2177.6-73175.2-11.700112V597 Q598 K599 S603 L604 V605V597-Q601 HydrophobicContact CG1-CG 4.46Å; V597-Q601 WeakPolarHBondContact O-CG 3.04Å; V597-Q601 PolarHBondContact O-N 3.4Å; Q598-Q601 PolarHBondContact O-N 3.23Å; K599-Q601 PolarHBondContact O-N 3.13Å; Q601-S603 VanDerWaalsContact C-N 3.34Å; Q601-S603 PolarHBondContact O-N 2.91Å; Q601-L604 PolarHBondContact O-N 2.99Å; Q601-V605 WeakPolarHBondContact O-CG2 3.27Å; Q601-V605 PolarHBondContact O-N 3.36Å
602A94.8Very high94.8Very high57 Ų5752.3 Ų52.347%0.47126%0.261SS..Hα-helixtrans-63.1-40.3174.800000112.1Q598 K599 Y600 V605 T606Q598-A602 WeakPolarHBondContact O-CB 3.46Å; Q598-A602 PolarHBondContact O-N 3.48Å; K599-A602 PolarHBondContact O-N 3.28Å; Y600-A602 PolarHBondContact O-N 3.4Å; A602-V605 PolarHBondContact O-N 2.92Å; A602-T606 WeakPolarHBondContact O-CB 3.29Å; A602-T606 PolarHBondContact O-N 3.49Å; A602-T606 PolarHBondContact O-OG1 3Å
603S94.6Very high94.4Very high24 Ų2454.8 Ų54.817%0.16828%0.276CS..Hα-helixtrans-62.6-43174.5-172.10000111.3K599 Y600 Q601 V605 T606 H607K599-S603 WeakPolarHBondContact O-CB 3.27Å; K599-S603 PolarHBondContact O-N 3.31Å; Y600-S603 WeakPolarHBondContact O-CB 3.41Å; Y600-S603 PolarHBondContact O-N 3.13Å; Q601-S603 VanDerWaalsContact C-N 3.34Å; Q601-S603 PolarHBondContact O-N 2.91Å; S603-V605 PolarHBondContact O-N 3.33Å; S603-T606 PolarHBondContact O-N 3.45Å; S603-H607 VanDerWaalsContact O-CB 3.24Å; S603-H607 WeakPolarHBondContact O-CB 3.17Å; S603-H607 PolarHBondContact O-N 3.48Å
604L94.8Very high94.2Very high28 Ų2852.5 Ų52.515%0.14727%0.265CS..Hα-helixtrans-63.2-42177.6-170.468.7000112.6A319 P387 M439 Y600 Q601 T606 H607 G608A319-L604 HydrophobicContact CB-CD1 3.56Å; P387-L604 HydrophobicContact CB-CD1 3.77Å; P387-L604 HydrophobicContact CB-CG 4.17Å; M439-L604 HydrophobicContact SD-CD1 4.04Å; Y600-L604 HydrophobicContact CE1-CD2 4.5Å; Y600-L604 WeakPolarHBondContact O-CB 3.39Å; Y600-L604 PolarHBondContact O-N 3.39Å; Q601-L604 PolarHBondContact O-N 2.99Å; L604-T606 VanDerWaalsContact C-N 3.34Å; L604-H607 PolarHBondContact O-N 3.06Å; L604-G608 PolarHBondContact O-N 2.98Å
605V94.6Very high94Very high88 Ų8849.8 Ų49.853%0.53325%0.253SS..Hα-helixtrans-63-44174.9171.70000110.7Q601 A602 S603 G608 K609Q601-V605 WeakPolarHBondContact O-CG2 3.27Å; Q601-V605 PolarHBondContact O-N 3.36Å; A602-V605 PolarHBondContact O-N 2.92Å; S603-V605 PolarHBondContact O-N 3.33Å; V605-G608 PolarHBondContact O-N 2.97Å; V605-K609 WeakPolarHBondContact O-CG 3.28Å; V605-K609 PolarHBondContact O-N 3.29Å; V605-K609 VanDerWaalsContact O-N 3.12Å
606T94.1Very high93.8Very high53 Ų5352.2 Ų52.233%0.32526%0.264SS..Hα-helixtrans-64.8-45177.7-57.10000111A602 S603 L604 G608 K609 R610A602-T606 WeakPolarHBondContact O-CB 3.29Å; A602-T606 PolarHBondContact O-N 3.49Å; A602-T606 PolarHBondContact O-OG1 3Å; S603-T606 PolarHBondContact O-N 3.45Å; L604-T606 VanDerWaalsContact C-N 3.34Å; T606-G608 VanDerWaalsContact C-N 3.33Å; T606-G608 PolarHBondContact O-N 3.4Å; T606-K609 WeakPolarHBondContact O-CB 3.38Å; T606-K609 PolarHBondContact O-N 3.33Å; T606-K609 VanDerWaalsContact O-N 3.12Å; T606-R610 WeakPolarHBondContact O-CG 3.4Å; T606-R610 PolarHBondContact O-N 2.93Å
607H94.6Very high93.6Very high4 Ų452.6 Ų52.62%0.01927%0.266CS..Hα-helixtrans-56.1-45.9174.1-17968000111.6L316 M439 L443 S603 L604 K609 R610 M611L316-H607 PolarHBondContact O-NE2 3.07Å; M439-H607 HydrophobicContact SD-CB 3.79Å; M439-H607 VanDerWaalsContact SD-CD2 3.58Å; M439-H607 VanDerWaalsContact SD-CG 3.54Å; L443-H607 WeakPolarHBondContact CD1-ND1 3.3Å; S603-H607 VanDerWaalsContact O-CB 3.24Å; S603-H607 WeakPolarHBondContact O-CB 3.17Å; S603-H607 PolarHBondContact O-N 3.48Å; L604-H607 PolarHBondContact O-N 3.06Å; H607-K609 VanDerWaalsContact C-N 3.33Å; H607-K609 PolarHBondContact O-N 2.95Å; H607-R610 PolarHBondContact O-N 3.11Å; H607-M611 WeakPolarHBondContact O-CB 3.31Å; H607-M611 WeakPolarHBondContact O-CG 3.23Å; H607-M611 PolarHBondContact O-N 3.37Å
608G93Very high93.4Very high13 Ų1356 Ų5613%0.13428%0.278CS..Hα-helixtrans-62.3-35175.700000114.1L604 V605 T606 R612L604-G608 PolarHBondContact O-N 2.98Å; V605-G608 PolarHBondContact O-N 2.97Å; T606-G608 VanDerWaalsContact C-N 3.33Å; T606-G608 PolarHBondContact O-N 3.4Å; G608-R612 WeakPolarHBondContact O-CG 3.49Å; G608-R612 PolarHBondContact O-N 3.08Å
609K92.3Very high93.2Very high118 Ų11854.9 Ų54.951%0.51328%0.276SS..Hα-helixtrans-65.7-48.8171.6-68.5173.2-177.6179.40111V605 T606 H607 M611 R612 V613V605-K609 WeakPolarHBondContact O-CG 3.28Å; V605-K609 PolarHBondContact O-N 3.29Å; V605-K609 VanDerWaalsContact O-N 3.12Å; T606-K609 WeakPolarHBondContact O-CB 3.38Å; T606-K609 PolarHBondContact O-N 3.33Å; T606-K609 VanDerWaalsContact O-N 3.12Å; H607-K609 VanDerWaalsContact C-N 3.33Å; H607-K609 PolarHBondContact O-N 2.95Å; K609-M611 PolarHBondContact O-N 3.31Å; K609-R612 PolarHBondContact O-N 2.95Å; K609-V613 PolarHBondContact O-N 2.86Å
610R93.3Very high93.1Very high21 Ų2154.6 Ų54.68%0.07928%0.275CS..Hα-helixtrans-61.6-42.9179.3-66.8178.4172.9159.8-5.3112L443 L523 E526 S530 T606 H607 R612 V613 V614L443-R610 HydrophobicContact CD1-CB 3.86Å; L523-R610 HydrophobicContact CD1-CB 4.41Å; L523-R610 HydrophobicContact CD1-CG 3.74Å; E526-R610 IonicContact OE2-NH2 3.21Å; S530-R610 PolarHBondContact OG-NH1 2.82Å; S530-R610 PolarHBondContact OG-NH2 3.23Å; T606-R610 WeakPolarHBondContact O-CG 3.4Å; T606-R610 PolarHBondContact O-N 2.93Å; H607-R610 PolarHBondContact O-N 3.11Å; R610-R612 VanDerWaalsContact C-N 3.33Å; R610-R612 PolarHBondContact O-N 2.95Å; R610-V613 PolarHBondContact O-N 3.01Å; R610-V614 WeakPolarHBondContact O-CG2 3.24Å; R610-V614 PolarHBondContact O-N 3.24Å
611M92.7Very high93Very high7 Ų754.4 Ų54.43%0.03428%0.275CS..Hα-helixtrans-60.5-40.3176.2-78.8-63.2-81.900112L316 S317 F382 L443 H607 K609 V614 H615L316-M611 HydrophobicContact CD2-CE 4.29Å; L316-M611 HydrophobicContact CD2-SD 4.15Å; L316-M611 HydrophobicContact CG-CE 4.05Å; L316-M611 HydrophobicContact CG-SD 4.11Å; S317-M611 WeakPolarHBondContact OG-CE 3.44Å; F382-M611 HydrophobicContact CD2-CE 4.09Å; F382-M611 HydrophobicContact CE2-CE 3.79Å; F382-M611 HydrophobicContact CE2-SD 4.32Å; L443-M611 HydrophobicContact CD2-CG 4.04Å; L443-M611 HydrophobicContact CD2-SD 3.42Å; L443-M611 WeakPolarHBondContact CD2-SD 3.48Å; L443-M611 HydrophobicContact CG-SD 4.38Å; H607-M611 WeakPolarHBondContact O-CB 3.31Å; H607-M611 WeakPolarHBondContact O-CG 3.23Å; H607-M611 PolarHBondContact O-N 3.37Å; K609-M611 PolarHBondContact O-N 3.31Å; M611-V614 PolarHBondContact O-N 2.81Å; M611-H615 PolarHBondContact O-N 3.47Å; M611-H615 PolarHBondContact O-ND1 3.39Å
612R91.4Very high92.8Very high153 Ų15357.6 Ų57.658%0.57728%0.282SS*.Hα-helixtrans-59.9-46.8175-78-175.5-72161.2-4.9112.2G608 K609 R610 V614 H615 E616G608-R612 WeakPolarHBondContact O-CG 3.49Å; G608-R612 PolarHBondContact O-N 3.08Å; K609-R612 PolarHBondContact O-N 2.95Å; R610-R612 VanDerWaalsContact C-N 3.33Å; R610-R612 PolarHBondContact O-N 2.95Å; R612-V614 PolarHBondContact O-N 3.38Å; R612-H615 WeakPolarHBondContact O-CB 3.43Å; R612-H615 PolarHBondContact O-N 2.96Å; R612-E616 WeakPolarHBondContact O-CG 3.45Å; R612-E616 PolarHBondContact O-N 3.21Å
613V90.9Very high92.8Very high51 Ų5160.4 Ų60.431%0.30929%0.289SS..Hα-helixtrans-58.6-48.4175.8178.20000110.5L523 K609 R610 H615 E616 T617L523-V613 HydrophobicContact CD2-CG1 4.4Å; K609-V613 PolarHBondContact O-N 2.86Å; R610-V613 PolarHBondContact O-N 3.01Å; V613-H615 VanDerWaalsContact C-N 3.29Å; V613-H615 PolarHBondContact O-N 3.47Å; V613-E616 PolarHBondContact O-N 2.95Å; V613-T617 WeakPolarHBondContact O-CB 3.36Å; V613-T617 PolarHBondContact O-N 3.45Å; V613-T617 PolarHBondContact O-OG1 3.06Å
614V92.1Very high92.7Very high0 Ų059.6 Ų59.60%028%0.283CS..Hα-helixtrans-57.1-41.2177.4165.80000112F382 L443 V446 M447 L450 L523 R610 M611 R612 R618F382-V614 HydrophobicContact CE2-CG1 3.84Å; F382-V614 HydrophobicContact CZ-CG1 3.99Å; L443-V614 HydrophobicContact CD2-CG2 4.1Å; V446-V614 HydrophobicContact CG1-CG1 3.44Å; V446-V614 VanDerWaalsContact CG1-CG1 3.44Å; M447-V614 HydrophobicContact CG-CG2 4.22Å; L450-V614 HydrophobicContact CD1-CG1 3.94Å; L523-V614 HydrophobicContact CD2-CG2 4.32Å; R610-V614 WeakPolarHBondContact O-CG2 3.24Å; R610-V614 PolarHBondContact O-N 3.24Å; M611-V614 PolarHBondContact O-N 2.81Å; R612-V614 PolarHBondContact O-N 3.38Å; V614-R618 WeakPolarHBondContact O-CB 3.42Å; V614-R618 PolarHBondContact O-N 3.39Å
615H91Very high92.6Very high30 Ų3059.5 Ų59.514%0.13929%0.288CS..Hα-helixtrans-67.3-45.1176.7-79.781.1000112.8F382 S383 T384 M611 R612 V613 R618 N619F382-H615 AromaticContact CE2-CE1 3.9Å; F382-H615 AromaticContact CZ-CE1 3.63Å; F382-H615 AromaticContact CZ-NE2 3.66Å; S383-H615 PolarHBondContact O-CE1 2.9Å; S383-H615 VanDerWaalsContact O-CE1 3.26Å; S383-H615 PolarHBondContact O-NE2 3.47Å; T384-H615 WeakPolarHBondContact CA-NE2 3.32Å; M611-H615 PolarHBondContact O-N 3.47Å; M611-H615 PolarHBondContact O-ND1 3.39Å; R612-H615 WeakPolarHBondContact O-CB 3.43Å; R612-H615 PolarHBondContact O-N 2.96Å; V613-H615 VanDerWaalsContact C-N 3.29Å; V613-H615 PolarHBondContact O-N 3.47Å; H615-R618 PolarHBondContact O-N 2.93Å; H615-N619 WeakPolarHBondContact O-CB 3.49Å; H615-N619 PolarHBondContact O-N 3.29Å; H615-N619 PolarHBondContact O-ND2 3.07Å
616E91.6Very high92.6Very high126 Ų12659 Ų5959%0.58929%0.288SS*.Hα-helixtrans-61.6-48.2176.9-73.4168.8-170.200110.7R612 V613 R618 N619 H620R612-E616 WeakPolarHBondContact O-CG 3.45Å; R612-E616 PolarHBondContact O-N 3.21Å; V613-E616 PolarHBondContact O-N 2.95Å; E616-R618 VanDerWaalsContact C-N 3.35Å; E616-R618 PolarHBondContact O-N 3.36Å; E616-N619 PolarHBondContact O-N 3.37Å; E616-H620 WeakPolarHBondContact O-CB 3.33Å; E616-H620 PolarHBondContact O-N 3.09Å
617T92.1Very high92.6Very high14 Ų1458.8 Ų58.89%0.08629%0.289CS..Hα-helixtrans-57.9-46175.3-62.50000111.7L450 T516 L520 V613 N619 H620 L621L450-T617 HydrophobicContact CD1-CG2 4.27Å; T516-T617 HydrophobicContact CG2-CG2 3.38Å; L520-T617 HydrophobicContact CD1-CG2 3.91Å; L520-T617 HydrophobicContact CD2-CG2 3.97Å; L520-T617 HydrophobicContact CG-CG2 4.05Å; V613-T617 WeakPolarHBondContact O-CB 3.36Å; V613-T617 PolarHBondContact O-N 3.45Å; V613-T617 PolarHBondContact O-OG1 3.06Å; T617-N619 PolarHBondContact O-N 3.16Å; T617-H620 PolarHBondContact O-N 2.99Å; T617-L621 HydrophobicContact CG2-CD1 3.91Å; T617-L621 HydrophobicContact CG2-CG 4.32Å; T617-L621 WeakPolarHBondContact O-CB 3.35Å; T617-L621 WeakPolarHBondContact O-CG 3.35Å; T617-L621 PolarHBondContact O-N 3.32Å
618R92.2Very high92.5Very high80 Ų8058.8 Ų58.830%0.30229%0.289SS..Hα-helixtrans-60.6-46.9177.7-179.6-175.5172.613010112.1E351 L450 V614 H615 E616 H620 L621 R622E351-R618 IonicContact OE1-CZ 3.7Å; E351-R618 IonicContact OE1-NH1 2.83Å; E351-R618 IonicContact OE1-NH2 2.67Å; E351-R618 PolarHBondContact OE1-NH2 3Å; E351-R618 IonicContact OE2-CZ 3.95Å; E351-R618 IonicContact OE2-NH1 3.15Å; E351-R618 PolarHBondContact OE2-NH1 3.18Å; E351-R618 IonicContact OE2-NH2 2.83Å; E351-R618 PolarHBondContact OE2-NH2 3.19Å; L450-R618 HydrophobicContact CD2-CB 3.95Å; L450-R618 HydrophobicContact CD2-CG 4.18Å; V614-R618 WeakPolarHBondContact O-CB 3.42Å; V614-R618 PolarHBondContact O-N 3.39Å; H615-R618 PolarHBondContact O-N 2.93Å; E616-R618 VanDerWaalsContact C-N 3.35Å; E616-R618 PolarHBondContact O-N 3.36Å; R618-H620 VanDerWaalsContact C-N 3.32Å; R618-H620 PolarHBondContact O-N 3.23Å; R618-L621 PolarHBondContact O-N 2.88Å; R618-R622 WeakPolarHBondContact O-CB 3.39Å; R618-R622 PolarHBondContact O-N 3.15Å
619N91.4Very high92.5Very high88 Ų8860.7 Ų60.747%0.47130%0.304SS..Hα-helixtrans-63.3-40.9178.1-75.5-25.7000111.4H615 E616 T617 R622 L623H615-N619 WeakPolarHBondContact O-CB 3.49Å; H615-N619 PolarHBondContact O-N 3.29Å; H615-N619 PolarHBondContact O-ND2 3.07Å; E616-N619 PolarHBondContact O-N 3.37Å; T617-N619 PolarHBondContact O-N 3.16Å; N619-R622 PolarHBondContact O-N 2.87Å; N619-L623 PolarHBondContact O-N 2.73Å; N619-L623 VanDerWaalsContact O-N 3.07Å
620H92.6Very high92.6Very high67 Ų6757.8 Ų57.831%0.3130%0.302SS..Hα-helixtrans-61.3-51175.5-176.771.9000111.6E616 T617 R618 R622 L623 V624E616-H620 WeakPolarHBondContact O-CB 3.33Å; E616-H620 PolarHBondContact O-N 3.09Å; T617-H620 PolarHBondContact O-N 2.99Å; R618-H620 VanDerWaalsContact C-N 3.32Å; R618-H620 PolarHBondContact O-N 3.23Å; H620-R622 VanDerWaalsContact C-N 3.29Å; H620-R622 PolarHBondContact O-N 2.89Å; H620-L623 PolarHBondContact O-N 2.99Å; H620-L623 VanDerWaalsContact O-N 3.11Å; H620-V624 WeakPolarHBondContact O-CG2 3.48Å; H620-V624 PolarHBondContact O-N 3.27Å
621L93.1Very high92.5Very high8 Ų857.4 Ų57.44%0.04230%0.302CS..Hα-helixtrans-61.6-36.2178.7-72.1173.9000112.5L450 C454 I513 T516 T617 R618 G625L450-L621 HydrophobicContact CB-CD1 4.45Å; L450-L621 HydrophobicContact CD2-CD1 4.19Å; C454-L621 VanDerWaalsContact SG-CD1 3.55Å; C454-L621 VanDerWaalsContact SG-CD2 3.58Å; I513-L621 HydrophobicContact CG2-CD2 4.35Å; T516-L621 HydrophobicContact CG2-CD1 4.32Å; T516-L621 HydrophobicContact CG2-CD2 4.06Å; T516-L621 HydrophobicContact CG2-CG 4.16Å; T617-L621 HydrophobicContact CG2-CD1 3.91Å; T617-L621 HydrophobicContact CG2-CG 4.32Å; T617-L621 WeakPolarHBondContact O-CB 3.35Å; T617-L621 WeakPolarHBondContact O-CG 3.35Å; T617-L621 PolarHBondContact O-N 3.32Å; R618-L621 PolarHBondContact O-N 2.88Å; L621-G625 PolarHBondContact O-N 3.3Å
622R92.3Very high92.5Very high179 Ų17958.7 Ų58.768%0.67531%0.309SS*.Hα-helixtrans-61.9-47.1173.1-170.6-176.970.4162.62.1111.3R618 N619 H620 G625 C626R618-R622 WeakPolarHBondContact O-CB 3.39Å; R618-R622 PolarHBondContact O-N 3.15Å; N619-R622 PolarHBondContact O-N 2.87Å; H620-R622 VanDerWaalsContact C-N 3.29Å; H620-R622 PolarHBondContact O-N 2.89Å; R622-G625 PolarHBondContact O-N 3.46Å; R622-C626 PolarHBondContact O-N 2.9Å; R622-C626 PolarHBondContact O-SG 2.88Å; R622-C626 VanDerWaalsContact O-SG 3.33Å
623L93.7Very high92.6Very high116 Ų11656.1 Ų56.161%0.60731%0.31SS*.Hα-helixtrans-63.7-45.5178.9-174.469.1000111.4N619 H620 G625 C626 S627N619-L623 PolarHBondContact O-N 2.73Å; N619-L623 VanDerWaalsContact O-N 3.07Å; H620-L623 PolarHBondContact O-N 2.99Å; H620-L623 VanDerWaalsContact O-N 3.11Å; L623-G625 VanDerWaalsContact C-N 3.34Å; L623-G625 PolarHBondContact O-N 3.34Å; L623-C626 PolarHBondContact O-N 2.96Å; L623-S627 PolarHBondContact O-N 2.69Å; L623-S627 PolarHBondContact O-OG 2.59Å
624V93.3Very high92.7Very high8 Ų857.1 Ų57.15%0.04831%0.312CS..Hα-helixtrans-61.3-43.9176.3174.70000110.8C509 I513 H620 C626 S627 V628C509-V624 HydrophobicContact CB-CG1 4.08Å; I513-V624 HydrophobicContact CD1-CG1 3.79Å; I513-V624 HydrophobicContact CG1-CG1 3.73Å; H620-V624 WeakPolarHBondContact O-CG2 3.48Å; H620-V624 PolarHBondContact O-N 3.27Å; V624-C626 PolarHBondContact O-N 3.39Å; V624-S627 WeakPolarHBondContact O-CB 3.46Å; V624-S627 PolarHBondContact O-N 2.91Å; V624-V628 HydrophobicContact CG1-CG2 4.26Å; V624-V628 VanDerWaalsContact O-CG2 3.31Å; V624-V628 WeakPolarHBondContact O-CG2 3.29Å; V624-V628 PolarHBondContact O-N 3.22Å
625G93.1Very high92.6Very high25 Ų2557.3 Ų57.326%0.25831%0.313SS..Hα-helixtrans-58.9-43.4175.500000113L621 R622 L623 V628 A629L621-G625 PolarHBondContact O-N 3.3Å; R622-G625 PolarHBondContact O-N 3.46Å; L623-G625 VanDerWaalsContact C-N 3.34Å; L623-G625 PolarHBondContact O-N 3.34Å; G625-V628 PolarHBondContact O-N 3.05Å; G625-A629 WeakPolarHBondContact O-CB 3.42Å; G625-A629 PolarHBondContact O-N 3.27Å
626C93.9Very high92.5Very high79 Ų7961.1 Ų61.153%0.53433%0.331SS..Hα-helixtrans-61.6-43.7173.7-690000112.2R622 L623 V624 A629 A630R622-C626 PolarHBondContact O-N 2.9Å; R622-C626 PolarHBondContact O-SG 2.88Å; R622-C626 VanDerWaalsContact O-SG 3.33Å; L623-C626 PolarHBondContact O-N 2.96Å; V624-C626 PolarHBondContact O-N 3.39Å; C626-A629 PolarHBondContact O-N 2.95Å; C626-A630 WeakPolarHBondContact O-CB 3.26Å; C626-A630 PolarHBondContact O-N 2.85Å
627S93.3Very high92.4Very high48 Ų4856.6 Ų56.634%0.33632%0.318SS..Hα-helixtrans-62.1-44176.4-62.70000111.9L623 V624 A629 A630 C631L623-S627 PolarHBondContact O-N 2.69Å; L623-S627 PolarHBondContact O-OG 2.59Å; V624-S627 WeakPolarHBondContact O-CB 3.46Å; V624-S627 PolarHBondContact O-N 2.91Å; S627-A629 PolarHBondContact O-N 2.71Å; S627-A630 PolarHBondContact O-N 3.03Å; S627-C631 WeakPolarHBondContact O-CB 3.31Å; S627-C631 PolarHBondContact O-N 3.06Å; S627-C631 PolarHBondContact O-SG 2.91Å
628V93.5Very high92.2Very high3 Ų356.4 Ų56.42%0.01832%0.317CS..Hα-helixtrans-61.6-44.9176.6171.30000110.9T457 V460 V461 L506 C509 V624 G625 A630 C631 N632T457-V628 HydrophobicContact CG2-CG2 4.41Å; V460-V628 HydrophobicContact CG1-CG1 3.88Å; V461-V628 HydrophobicContact CG2-CB 4.29Å; V461-V628 HydrophobicContact CG2-CG1 3.75Å; V461-V628 HydrophobicContact CG2-CG2 3.47Å; V461-V628 VanDerWaalsContact CG2-CG2 3.47Å; L506-V628 HydrophobicContact CD2-CB 4.42Å; L506-V628 HydrophobicContact CD2-CG1 4.12Å; L506-V628 HydrophobicContact CD2-CG2 4.22Å; C509-V628 HydrophobicContact CB-CG2 3.96Å; V624-V628 HydrophobicContact CG1-CG2 4.26Å; V624-V628 VanDerWaalsContact O-CG2 3.31Å; V624-V628 WeakPolarHBondContact O-CG2 3.29Å; V624-V628 PolarHBondContact O-N 3.22Å; G625-V628 PolarHBondContact O-N 3.05Å; V628-A630 PolarHBondContact O-N 2.94Å; V628-C631 PolarHBondContact O-N 3.43Å; V628-N632 WeakPolarHBondContact O-CB 3.38Å; V628-N632 PolarHBondContact O-N 2.87Å; V628-N632 PolarHBondContact O-OD1 3.41Å
629A93.5Very high91.9Very high54 Ų5453.9 Ų53.945%0.44631%0.309SS..Hα-helixtrans-62.7-42.6177.300000112.4G625 C626 S627 N632 T633G625-A629 WeakPolarHBondContact O-CB 3.42Å; G625-A629 PolarHBondContact O-N 3.27Å; C626-A629 PolarHBondContact O-N 2.95Å; S627-A629 PolarHBondContact O-N 2.71Å; A629-N632 PolarHBondContact O-N 2.76Å; A629-T633 PolarHBondContact O-N 2.86Å; A629-T633 PolarHBondContact O-OG1 3.39Å
630A93.6Very high91.7Very high57 Ų5755.4 Ų55.447%0.47131%0.313SS..Hα-helixtrans-63.5-47.317600000111.6C626 S627 V628 N632 T633 E634C626-A630 WeakPolarHBondContact O-CB 3.26Å; C626-A630 PolarHBondContact O-N 2.85Å; S627-A630 PolarHBondContact O-N 3.03Å; V628-A630 PolarHBondContact O-N 2.94Å; A630-N632 VanDerWaalsContact C-N 3.32Å; A630-N632 PolarHBondContact O-N 2.84Å; A630-T633 PolarHBondContact O-N 3.05Å; A630-E634 PolarHBondContact O-N 2.96Å
631C92.3Very high91.4Very high13 Ų1354.8 Ų54.89%0.08832%0.316CS..Hα-helixtrans-59.7-41.2176.1-72.10000112.1L502 V505 L506 S627 V628 E634 A635L502-C631 HydrophobicContact CD2-CB 4.34Å; V505-C631 VanDerWaalsContact CG1-SG 3.56Å; L506-C631 HydrophobicContact CD2-CB 4Å; L506-C631 HydrophobicContact CG-CB 4.18Å; S627-C631 WeakPolarHBondContact O-CB 3.31Å; S627-C631 PolarHBondContact O-N 3.06Å; S627-C631 PolarHBondContact O-SG 2.91Å; V628-C631 PolarHBondContact O-N 3.43Å; C631-E634 PolarHBondContact O-N 3.33Å; C631-A635 WeakPolarHBondContact O-CB 3.45Å; C631-A635 PolarHBondContact O-N 3.25Å
632N91.3Very high91Very high33 Ų3354.7 Ų54.718%0.17632%0.316CS..Hα-helixtrans-64.8-42.3177.5-74.5-7.7000112.2V460 S464 V628 A629 A630 A635 Q636V460-N632 WeakPolarHBondContact CG1-ND2 3.34Å; S464-N632 WeakPolarHBondContact CB-OD1 3.43Å; S464-N632 PolarHBondContact OG-ND2 3.37Å; S464-N632 PolarHBondContact OG-OD1 3.01Å; V628-N632 WeakPolarHBondContact O-CB 3.38Å; V628-N632 PolarHBondContact O-N 2.87Å; V628-N632 PolarHBondContact O-OD1 3.41Å; A629-N632 PolarHBondContact O-N 2.76Å; A630-N632 VanDerWaalsContact C-N 3.32Å; A630-N632 PolarHBondContact O-N 2.84Å; N632-A635 PolarHBondContact O-N 3.41Å; N632-Q636 PolarHBondContact O-N 3.25Å
633T93.4Very high90.6Very high99 Ų9948.7 Ų48.761%0.60730%0.301SS*.Hα-helixtrans-64.6-43.6178-520000110.8A629 A630 Q636 G637A629-T633 PolarHBondContact O-N 2.86Å; A629-T633 PolarHBondContact O-OG1 3.39Å; A630-T633 PolarHBondContact O-N 3.05Å; T633-Q636 PolarHBondContact O-N 3.24Å; T633-G637 PolarHBondContact O-N 3.1Å
634E93Very high90.2Very high73 Ų7349.3 Ų49.334%0.34130%0.299SS..Hα-helixtrans-66.4-43.3176.7-169.8176.817200111.7R498 L502 A630 C631 Q636 G637 V638R498-E634 IonicContact CZ-OE1 2.92Å; R498-E634 IonicContact NE-OE1 3.18Å; R498-E634 PolarHBondContact NE-OE1 2.82Å; R498-E634 IonicContact NH2-OE1 2.83Å; R498-E634 PolarHBondContact NH2-OE1 2.96Å; L502-E634 HydrophobicContact CD1-CB 4.22Å; L502-E634 HydrophobicContact CD1-CG 4.01Å; L502-E634 HydrophobicContact CD2-CB 4.41Å; L502-E634 HydrophobicContact CD2-CG 4.43Å; A630-E634 PolarHBondContact O-N 2.96Å; C631-E634 PolarHBondContact O-N 3.33Å; E634-Q636 VanDerWaalsContact C-N 3.33Å; E634-Q636 PolarHBondContact O-N 3.29Å; E634-G637 PolarHBondContact O-N 2.98Å; E634-V638 HydrophobicContact CG-CG2 4.27Å; E634-V638 WeakPolarHBondContact O-CB 3.49Å; E634-V638 VanDerWaalsContact O-CG2 3.3Å; E634-V638 WeakPolarHBondContact O-CG2 3.45Å; E634-V638 PolarHBondContact O-N 3.45Å
635A89.6Confident89.7Confident3 Ų350.2 Ų50.23%0.02530%0.303CS..Hα-helixtrans-58.2-44176.700000112L468 L502 C631 N632 Q639L468-A635 HydrophobicContact CD2-CB 3.85Å; L502-A635 HydrophobicContact CD1-CB 4.11Å; C631-A635 WeakPolarHBondContact O-CB 3.45Å; C631-A635 PolarHBondContact O-N 3.25Å; N632-A635 PolarHBondContact O-N 3.41Å; A635-Q639 WeakPolarHBondContact O-CB 3.28Å; A635-Q639 PolarHBondContact O-N 3.15Å
636Q89.8Confident88.9Confident110 Ų11052 Ų5251%0.51431%0.307SS..Hα-helixtrans-59.6-49.5174.6-81.9179.6-28.700111.7N632 T633 E634 V638 Q639 E640N632-Q636 PolarHBondContact O-N 3.25Å; T633-Q636 PolarHBondContact O-N 3.24Å; E634-Q636 VanDerWaalsContact C-N 3.33Å; E634-Q636 PolarHBondContact O-N 3.29Å; Q636-V638 PolarHBondContact O-N 3.16Å; Q636-Q639 PolarHBondContact O-N 2.86Å; Q636-E640 WeakPolarHBondContact O-CG 3.41Å; Q636-E640 PolarHBondContact O-N 3.43Å
637G89.5Confident88.3Confident32 Ų3254.2 Ų54.233%0.3331%0.309SS..Hα-helixtrans-64-39.8-18000000113.8T633 E634 Q639 S641T633-G637 PolarHBondContact O-N 3.1Å; E634-G637 PolarHBondContact O-N 2.98Å; G637-Q639 VanDerWaalsContact C-N 3.34Å; G637-S641 WeakPolarHBondContact O-CB 3.48Å; G637-S641 PolarHBondContact O-N 3.41Å; G637-S641 VanDerWaalsContact O-N 3.13Å; G637-S641 PolarHBondContact O-OG 3.33Å
638V87.9Confident87.6Confident10 Ų1057.1 Ų57.16%0.06132%0.317CS..Hα-helixtrans-65.5-40.3175.4173.60000110.5L495 R498 L499 E634 Q636 S641 L642L495-V638 HydrophobicContact CB-CG1 4.08Å; L495-V638 HydrophobicContact CD2-CG1 3.99Å; R498-V638 HydrophobicContact CG-CG2 4.4Å; L499-V638 HydrophobicContact CD1-CG1 4.28Å; L499-V638 HydrophobicContact CD2-CB 3.88Å; L499-V638 HydrophobicContact CD2-CG1 3.59Å; L499-V638 HydrophobicContact CG-CB 4.45Å; L499-V638 HydrophobicContact CG-CG1 3.6Å; E634-V638 HydrophobicContact CG-CG2 4.27Å; E634-V638 WeakPolarHBondContact O-CB 3.49Å; E634-V638 VanDerWaalsContact O-CG2 3.3Å; E634-V638 WeakPolarHBondContact O-CG2 3.45Å; E634-V638 PolarHBondContact O-N 3.45Å; Q636-V638 PolarHBondContact O-N 3.16Å; V638-S641 PolarHBondContact O-N 3.26Å; V638-L642 WeakPolarHBondContact O-CB 3.43Å; V638-L642 PolarHBondContact O-N 3.15Å
639Q85.8Confident86.6Confident26 Ų2657.7 Ų57.712%0.12132%0.32CS..Hα-helixtrans-69.6-42.6179.6-176.4153.1-23.100112.9Y467 S471 A635 Q636 G637 S641 L642 S643Y467-Q639 VanDerWaalsContact CE1-CD 3.48Å; Y467-Q639 VanDerWaalsContact CZ-OE1 3.29Å; Y467-Q639 PolarHBondContact OH-NE2 3.06Å; Y467-Q639 PolarHBondContact OH-OE1 2.95Å; S471-Q639 PolarHBondContact OG-NE2 3.33Å; S471-Q639 PolarHBondContact OG-OE1 3.34Å; A635-Q639 WeakPolarHBondContact O-CB 3.28Å; A635-Q639 PolarHBondContact O-N 3.15Å; Q636-Q639 PolarHBondContact O-N 2.86Å; G637-Q639 VanDerWaalsContact C-N 3.34Å; Q639-S641 PolarHBondContact O-N 3.38Å; Q639-L642 PolarHBondContact O-N 2.83Å; Q639-L642 VanDerWaalsContact O-N 3.17Å; Q639-S643 WeakPolarHBondContact O-CB 3.21Å; Q639-S643 PolarHBondContact O-N 3.05Å; Q639-S643 PolarHBondContact O-OG 2.86Å
640E87.9Confident85.5Confident121 Ų12157.8 Ų57.857%0.56532%0.318SS*.Hα-helixtrans-58.2-40.8172.6-74.7176.9-171.900111.6Q636 S643 K644Q636-E640 WeakPolarHBondContact O-CG 3.41Å; Q636-E640 PolarHBondContact O-N 3.43Å; E640-S643 PolarHBondContact O-N 2.95Å; E640-K644 WeakPolarHBondContact O-CG 3.1Å; E640-K644 PolarHBondContact O-N 3.44Å
641S86.3Confident84.5Confident54 Ų5460.8 Ų60.838%0.37832%0.322SS..Hα-helixtrans-65.3-41.9176.1-56.80000111.7G637 V638 Q639 K644 I645G637-S641 WeakPolarHBondContact O-CB 3.48Å; G637-S641 PolarHBondContact O-N 3.41Å; G637-S641 VanDerWaalsContact O-N 3.13Å; G637-S641 PolarHBondContact O-OG 3.33Å; V638-S641 PolarHBondContact O-N 3.26Å; Q639-S641 PolarHBondContact O-N 3.38Å; S641-K644 PolarHBondContact O-N 2.97Å; S641-I645 WeakPolarHBondContact O-CG1 3.3Å; S641-I645 PolarHBondContact O-N 2.81Å
642L84.3Confident83.3Confident5 Ų564 Ų643%0.02634%0.335CS..Hα-helixtrans-65.5-43.1176.9-176.966000111.6A492 L495 R496 L499 V638 Q639 I645 L646A492-L642 HydrophobicContact CB-CD1 3.88Å; L495-L642 HydrophobicContact CB-CD1 4.25Å; L495-L642 HydrophobicContact CD1-CB 4.28Å; L495-L642 HydrophobicContact CD1-CD1 4.44Å; R496-L642 HydrophobicContact CG-CD1 4.31Å; R496-L642 HydrophobicContact CG-CD2 3.95Å; L499-L642 HydrophobicContact CD1-CD2 3.92Å; V638-L642 WeakPolarHBondContact O-CB 3.43Å; V638-L642 PolarHBondContact O-N 3.15Å; Q639-L642 PolarHBondContact O-N 2.83Å; Q639-L642 VanDerWaalsContact O-N 3.17Å; L642-I645 PolarHBondContact O-N 3.27Å; L642-L646 HydrophobicContact CD1-CD1 4.35Å; L642-L646 HydrophobicContact CD1-CG 4.47Å; L642-L646 HydrophobicContact CG-CD1 3.99Å; L642-L646 HydrophobicContact CG-CG 4.5Å; L642-L646 WeakPolarHBondContact O-CB 3.48Å; L642-L646 VanDerWaalsContact O-CG 3.29Å; L642-L646 WeakPolarHBondContact O-CG 3.49Å; L642-L646 PolarHBondContact O-N 3.37Å
643S83.9Confident82.1Confident54 Ų5468.1 Ų68.138%0.37836%0.357SS..Hα-helixtrans-60.3-44.6176.4-70.80000111.9Q639 E640 I645 L646 E647Q639-S643 WeakPolarHBondContact O-CB 3.21Å; Q639-S643 PolarHBondContact O-N 3.05Å; Q639-S643 PolarHBondContact O-OG 2.86Å; E640-S643 PolarHBondContact O-N 2.95Å; S643-I645 PolarHBondContact O-N 3.06Å; S643-L646 PolarHBondContact O-N 3.31Å; S643-E647 WeakPolarHBondContact O-CG 3.31Å; S643-E647 PolarHBondContact O-N 3.33Å
644K85.5Confident80.6Confident129 Ų12968.8 Ų68.856%0.56136%0.356SS*.Hα-helixtrans-58.4-46.4175.7-75.2173.8-1781730112.6E640 S641 L646 E647 E648E640-K644 WeakPolarHBondContact O-CG 3.1Å; E640-K644 PolarHBondContact O-N 3.44Å; S641-K644 PolarHBondContact O-N 2.97Å; K644-L646 VanDerWaalsContact C-N 3.35Å; K644-L646 PolarHBondContact O-N 3.34Å; K644-E647 PolarHBondContact O-N 2.99Å; K644-E648 WeakPolarHBondContact O-CG 3.27Å; K644-E648 PolarHBondContact O-N 3.47Å
645I81.9Confident79Confident26 Ų2670.9 Ų70.913%0.13337%0.366CS..Hα-helixtrans-65-40.1178.9-67.2170.1000111.1E488 V491 A492 L495 S641 L642 S643 E648 L649E488-I645 HydrophobicContact CB-CG2 4.17Å; V491-I645 HydrophobicContact CB-CD1 4.28Å; V491-I645 HydrophobicContact CG1-CD1 3.55Å; A492-I645 HydrophobicContact CB-CG2 4.32Å; L495-I645 HydrophobicContact CD1-CD1 3.69Å; S641-I645 WeakPolarHBondContact O-CG1 3.3Å; S641-I645 PolarHBondContact O-N 2.81Å; L642-I645 PolarHBondContact O-N 3.27Å; S643-I645 PolarHBondContact O-N 3.06Å; I645-E648 PolarHBondContact O-N 2.97Å; I645-L649 HydrophobicContact CG2-CD1 3.93Å; I645-L649 HydrophobicContact CG2-CG 4.48Å; I645-L649 WeakPolarHBondContact O-CB 3.45Å; I645-L649 WeakPolarHBondContact O-CG 3.46Å; I645-L649 PolarHBondContact O-N 3.35Å
646L77.6Confident77.3Confident64 Ų6475.6 Ų75.634%0.33539%0.39SS..Hα-helixtrans-67.9-36.8177.7-70.4172.1000112.2L642 S643 K644 S650L642-L646 HydrophobicContact CD1-CD1 4.35Å; L642-L646 HydrophobicContact CD1-CG 4.47Å; L642-L646 HydrophobicContact CG-CD1 3.99Å; L642-L646 HydrophobicContact CG-CG 4.5Å; L642-L646 WeakPolarHBondContact O-CB 3.48Å; L642-L646 VanDerWaalsContact O-CG 3.29Å; L642-L646 WeakPolarHBondContact O-CG 3.49Å; L642-L646 PolarHBondContact O-N 3.37Å; S643-L646 PolarHBondContact O-N 3.31Å; K644-L646 VanDerWaalsContact C-N 3.35Å; K644-L646 PolarHBondContact O-N 3.34Å; L646-S650 WeakPolarHBondContact O-CB 3.33Å; L646-S650 PolarHBondContact O-N 2.66Å
647E80.8Confident75.5Confident124 Ų12480.4 Ų80.458%0.57940%0.404SS*.Hα-helixtrans-63.6-47.1172.1-77177-175.600111.4S643 K644 L649 S650 H651S643-E647 WeakPolarHBondContact O-CG 3.31Å; S643-E647 PolarHBondContact O-N 3.33Å; K644-E647 PolarHBondContact O-N 2.99Å; E647-L649 PolarHBondContact O-N 3.14Å; E647-S650 PolarHBondContact O-N 2.88Å; E647-S650 PolarHBondContact O-OG 3.37Å; E647-H651 PolarHBondContact O-CD2 3.36Å; E647-H651 PolarHBondContact O-N 3.37Å
648E77.9Confident73.6Confident109 Ų10982.5 Ų82.551%0.50942%0.418SS..Hα-helixtrans-58.9-47.1176.2-76.2175.4173.900112.1K644 I645 S650 H651 Q652K644-E648 WeakPolarHBondContact O-CG 3.27Å; K644-E648 PolarHBondContact O-N 3.47Å; I645-E648 PolarHBondContact O-N 2.97Å; E648-S650 VanDerWaalsContact C-N 3.33Å; E648-S650 PolarHBondContact O-N 2.97Å; E648-H651 PolarHBondContact O-N 2.83Å; E648-Q652 WeakPolarHBondContact O-CG 3.29Å; E648-Q652 PolarHBondContact O-N 2.84Å
649L72.7Confident71.6Confident16 Ų1689.9 Ų89.98%0.08445%0.45CS..Hα-helixtrans-61.2-40.4175.5-79.9167.7000112I486 E488 I645 E647 H651 Q652 L653I486-L649 HydrophobicContact CG2-CD2 4.18Å; E488-L649 HydrophobicContact CB-CD1 4.24Å; E488-L649 HydrophobicContact CB-CD2 4Å; E488-L649 HydrophobicContact CB-CG 4.17Å; E488-L649 WeakPolarHBondContact OE2-CD2 3.43Å; I645-L649 HydrophobicContact CG2-CD1 3.93Å; I645-L649 HydrophobicContact CG2-CG 4.48Å; I645-L649 WeakPolarHBondContact O-CB 3.45Å; I645-L649 WeakPolarHBondContact O-CG 3.46Å; I645-L649 PolarHBondContact O-N 3.35Å; E647-L649 PolarHBondContact O-N 3.14Å; L649-H651 VanDerWaalsContact C-N 3.34Å; L649-Q652 PolarHBondContact O-N 2.85Å; L649-L653 WeakPolarHBondContact O-CB 3.5Å; L649-L653 PolarHBondContact O-N 3.43Å
650S71.3Confident69.7Low55 Ų5592 Ų9239%0.38548%0.478SS..Hα-helixtrans-64.9-39.2177.2780000111.8L646 E647 E648 L654L646-S650 WeakPolarHBondContact O-CB 3.33Å; L646-S650 PolarHBondContact O-N 2.66Å; E647-S650 PolarHBondContact O-N 2.88Å; E647-S650 PolarHBondContact O-OG 3.37Å; E648-S650 VanDerWaalsContact C-N 3.33Å; E648-S650 PolarHBondContact O-N 2.97Å; S650-L654 WeakPolarHBondContact O-CB 3.49Å; S650-L654 WeakPolarHBondContact O-CD1 3.31Å; S650-L654 VanDerWaalsContact O-CG 3.29Å; S650-L654 WeakPolarHBondContact O-CG 3.49Å; S650-L654 PolarHBondContact O-N 3.31Å
651H72.3Confident67.5Low121 Ų12190 Ų9056%0.5648%0.482SS*.Hα-helixtrans-67.6-40.6175.2-89-68.9000112.4E647 E648 L649 L654 Q655E647-H651 PolarHBondContact O-CD2 3.36Å; E647-H651 PolarHBondContact O-N 3.37Å; E648-H651 PolarHBondContact O-N 2.83Å; L649-H651 VanDerWaalsContact C-N 3.34Å; H651-L654 PolarHBondContact O-N 2.81Å; H651-Q655 WeakPolarHBondContact O-CG 3.29Å; H651-Q655 PolarHBondContact O-N 3.27Å
652Q67.3Low65.3Low80 Ų8096.9 Ų96.937%0.37451%0.509SS..Hα-helixtrans-63.8-45.4174.6-74.7-178.21100111.9E488 E648 L649 L654 Q655 D656E488-Q652 PolarHBondContact OE1-NE2 3.27Å; E488-Q652 VanDerWaalsContact OE1-NE2 3.07Å; E488-Q652 PolarHBondContact OE2-NE2 3.09Å; E488-Q652 PolarHBondContact OE2-OE1 3.06Å; E648-Q652 WeakPolarHBondContact O-CG 3.29Å; E648-Q652 PolarHBondContact O-N 2.84Å; L649-Q652 PolarHBondContact O-N 2.85Å; Q652-L654 VanDerWaalsContact C-N 3.31Å; Q652-L654 PolarHBondContact O-N 3.41Å; Q652-Q655 PolarHBondContact O-N 2.95Å; Q652-Q655 VanDerWaalsContact O-N 3.13Å; Q652-D656 PolarHBondContact O-N 2.98Å
653L64.7Low62.9Low120 Ų120101.5 Ų101.563%0.62855%0.548SS*.Hα-helixtrans-61.7-36.4176.3-86.6157.5000112.8L649 R657L649-L653 WeakPolarHBondContact O-CB 3.5Å; L649-L653 PolarHBondContact O-N 3.43Å; L653-R657 PolarHBondContact O-N 2.88Å; L653-R657 VanDerWaalsContact O-N 3.15Å
654L62.5Low60.6Low112 Ų112104.4 Ų104.459%0.58657%0.567SS**Hα-helixtrans-68.8-37.8173.8-77164.2000112.1S650 H651 Q652 A658S650-L654 WeakPolarHBondContact O-CB 3.49Å; S650-L654 WeakPolarHBondContact O-CD1 3.31Å; S650-L654 VanDerWaalsContact O-CG 3.29Å; S650-L654 WeakPolarHBondContact O-CG 3.49Å; S650-L654 PolarHBondContact O-N 3.31Å; H651-L654 PolarHBondContact O-N 2.81Å; Q652-L654 VanDerWaalsContact C-N 3.31Å; Q652-L654 PolarHBondContact O-N 3.41Å; L654-A658 PolarHBondContact O-N 3.16Å; L654-A658 VanDerWaalsContact O-N 3.15Å
655Q59.1Low59.2Low117 Ų117103.9 Ų103.955%0.54758%0.578SS.*Hα-helixtrans-70.9-37.3176.1-76-176.94.100113H651 Q652 A658 K659H651-Q655 WeakPolarHBondContact O-CG 3.29Å; H651-Q655 PolarHBondContact O-N 3.27Å; Q652-Q655 PolarHBondContact O-N 2.95Å; Q652-Q655 VanDerWaalsContact O-N 3.13Å; Q655-A658 PolarHBondContact O-N 3.42Å; Q655-K659 PolarHBondContact O-N 2.97Å
656D54.5Low57Low102 Ų102108.4 Ų108.455%0.54561%0.609SS.*Hα-helixtrans-69.8-36.1176.2-91.1-5000112.2Q652 A658 K659 G660Q652-D656 PolarHBondContact O-N 2.98Å; D656-A658 VanDerWaalsContact C-N 3.28Å; D656-A658 PolarHBondContact O-N 2.85Å; D656-K659 PolarHBondContact O-N 2.93Å; D656-G660 PolarHBondContact O-N 3.34Å; D656-G660 VanDerWaalsContact O-N 3.14Å
657R52.5Low55.3Low212 Ų212111.3 Ų111.380%0.863%0.631SS**Hα-helixtrans-63.3-33.4168.8-95.3-175.8172.9-179.9-0.6112.9L653L653-R657 PolarHBondContact O-N 2.88Å; L653-R657 VanDerWaalsContact O-N 3.15Å
658A49Very low53.9Low76 Ų76113.8 Ų113.863%0.62865%0.647SS**Hα-helixtrans-75.2-27.8176.500000113L654 Q655 D656L654-A658 PolarHBondContact O-N 3.16Å; L654-A658 VanDerWaalsContact O-N 3.15Å; Q655-A658 PolarHBondContact O-N 3.42Å; D656-A658 VanDerWaalsContact C-N 3.28Å; D656-A658 PolarHBondContact O-N 2.85Å
659K46.7Very low52.1Low165 Ų165112.7 Ų112.772%0.71766%0.656SS**Hα-helixtrans-82.6-20.4176.5-74.8178.9-179.9172.90114.2Q655 D656 A661Q655-K659 PolarHBondContact O-N 2.97Å; D656-K659 PolarHBondContact O-N 2.93Å; K659-A661 VanDerWaalsContact C-N 3.33Å; K659-A661 PolarHBondContact O-N 3.18Å
660G44.5Very low50.7Low70 Ų70117.7 Ų117.772%0.72269%0.689SS**THydrogen-bonded Turntrans-79.7-2.2177.100000116.1D656D656-G660 PolarHBondContact O-N 3.34Å; D656-G660 VanDerWaalsContact O-N 3.14Å
661A41.8Very low49.4Very low79 Ų79125.8 Ų125.865%0.65371%0.713SS**  trans-108.475.7-176.900000112.3K659K659-A661 VanDerWaalsContact C-N 3.33Å; K659-A661 PolarHBondContact O-N 3.18Å
662Q41.5Very low47.9Very low199 Ų199125.9 Ų125.993%0.9372%0.724SS**  trans-130.283.8156.6-83.4-165.9-5.900110.3
663A34.1Very low47.2Very low102 Ų102126.7 Ų126.784%0.84374%0.739SS**SBendtrans-164.1128148.700000108.6
664S35.1Very low46.5Very low114 Ų114126 Ų12680%0.79774%0.741SS**  trans-74.6165-171.247.10000114.7
665P56.4Low46.2Very low119 Ų119124.8 Ų124.877%0.77374%0.739SS**  trans-98.1172.5-150.139.5-35000114.5
666P35.4Very low46.1Very low121 Ų121124.5 Ų124.579%0.78675%0.747SS**  trans-137.2177.2141.942.1-28.1000112.5
667P40.4Very low46Very low125 Ų125128 Ų12881%0.81276%0.757SS**  -86.5161.1-101.324.7-4.4000114.6A669P667-A669 PolarHBondContact O-N 3.11Å
668I52.8Low46.1Very low176 Ų176122.9 Ų122.990%0.90375%0.746SS**  trans-58.9125.7173.6-64.9165.5000110.6
669A38.8Very low46.4Very low85 Ų85124.5 Ų124.570%0.70274%0.744SS**  trans-119.7145.8157.400000108.3P667P667-A669 PolarHBondContact O-N 3.11Å
670P45Very low46.9Very low121 Ų121121.8 Ų121.879%0.78674%0.736SS**  trans-71.3145.9-157.928.9-34.5000113.2
671Y43.7Very low47.8Very low226 Ų226123.2 Ų123.289%0.88673%0.727SS**  trans-45.9129.8175-77.3-92.8000112.9S673Y671-S673 PolarHBondContact O-N 3.25Å
672P41.2Very low48.6Very low122 Ų122125.7 Ų125.779%0.79273%0.725SS**PPolyproline II helixtrans-76.4118.4154.520.3-9.1000108.3
673S52Low49.5Very low98 Ų98122.1 Ų122.169%0.68571%0.71SS**PPolyproline II helixtrans-51.1143.2163.951.50000110.7Y671 T675Y671-S673 PolarHBondContact O-N 3.25Å; S673-T675 PolarHBondContact O-N 2.94Å
674P48.9Very low51Low104 Ų104122.9 Ų122.968%0.67570%0.696SS**PPolyproline II helixtrans-57.1132.2174.923-30.6000109.8
675T57.3Low52.7Low87 Ų87123.3 Ų123.353%0.53469%0.685SS.*PPolyproline II helixtrans-58.8132177.923.60000109.8S673 K677 D678S673-T675 PolarHBondContact O-N 2.94Å; T675-K677 PolarHBondContact O-N 3.05Å; T675-D678 PolarHBondContact O-N 3.38Å; T675-D678 PolarHBondContact OG1-OD2 3.26Å
676P56.2Low53.2Low111 Ų111123 Ų12372%0.72168%0.677SS**Hα-helixtrans-55.9-14.3-174.7-26.332.3000115.7L680P676-L680 WeakPolarHBondContact O-CB 3.37Å; P676-L680 PolarHBondContact O-N 3.19Å
677K53.1Low54.8Low175 Ų175120.2 Ų120.276%0.76166%0.659SS**Hα-helixtrans-75-35179.8-86.1-177.6171.1-179.30114T675 L681T675-K677 PolarHBondContact O-N 3.05Å; K677-L681 PolarHBondContact O-N 3.1Å; K677-L681 VanDerWaalsContact O-N 3.17Å
678D54.6Low56.5Low106 Ų106119 Ų11957%0.56764%0.642SS**Hα-helixtrans-80-32.9-176-62.3-44.6000111.9T675 L680 H682T675-D678 PolarHBondContact O-N 3.38Å; T675-D678 PolarHBondContact OG1-OD2 3.26Å; D678-L680 VanDerWaalsContact C-N 3.33Å; D678-H682 WeakPolarHBondContact O-CB 3.4Å; D678-H682 PolarHBondContact O-N 2.81Å; D678-H682 VanDerWaalsContact O-N 3.16Å
679L55.4Low57.8Low110 Ų110112.6 Ų112.658%0.57662%0.62SS**Hα-helixtrans-67.9-36.1173-147.986.1000111.4M683L679-M683 VanDerWaalsContact O-CB 3.31Å; L679-M683 WeakPolarHBondContact O-CB 3.25Å; L679-M683 VanDerWaalsContact O-CG 3.24Å; L679-M683 WeakPolarHBondContact O-CG 3.34Å; L679-M683 PolarHBondContact O-N 3.21Å
680L56.6Low59.1Low107 Ų107114.6 Ų114.656%0.5662%0.616SS**Hα-helixtrans-73.4-35.6-178.7-153.4131.7000112P676 D678 Q684P676-L680 WeakPolarHBondContact O-CB 3.37Å; P676-L680 PolarHBondContact O-N 3.19Å; D678-L680 VanDerWaalsContact C-N 3.33Å; L680-Q684 WeakPolarHBondContact O-CB 3.47Å; L680-Q684 PolarHBondContact O-N 3.34Å
681L62.8Low60.6Low100 Ų100114.3 Ų114.352%0.52460%0.603SS.*Hα-helixtrans-66.8-44.6174-14982.1000111.2K677 Q684 E685K677-L681 PolarHBondContact O-N 3.1Å; K677-L681 VanDerWaalsContact O-N 3.17Å; L681-Q684 PolarHBondContact O-N 3.36Å; L681-E685 PolarHBondContact O-N 3.46Å
682H59.7Low62.1Low131 Ų131108.9 Ų108.961%0.60659%0.588SS**Hα-helixtrans-70.1-35.4179.7-148.554.4000112.5D678 Q684 E685 L686D678-H682 WeakPolarHBondContact O-CB 3.4Å; D678-H682 PolarHBondContact O-N 2.81Å; D678-H682 VanDerWaalsContact O-N 3.16Å; H682-Q684 VanDerWaalsContact C-N 3.34Å; H682-E685 IonicContact ND1-OE2 3.64Å; H682-L686 WeakPolarHBondContact O-CB 3.35Å; H682-L686 PolarHBondContact O-N 3Å
683M59.5Low63.7Low125 Ų125108.4 Ų108.462%0.61658%0.579SS**Hα-helixtrans-68-32.2171.5-76.1-174.676.500112.5L679 C687L679-M683 VanDerWaalsContact O-CB 3.31Å; L679-M683 WeakPolarHBondContact O-CB 3.25Å; L679-M683 VanDerWaalsContact O-CG 3.24Å; L679-M683 WeakPolarHBondContact O-CG 3.34Å; L679-M683 PolarHBondContact O-N 3.21Å; M683-C687 WeakPolarHBondContact O-CB 3.14Å; M683-C687 PolarHBondContact O-N 3.39Å
684Q66.8Low64.8Low118 Ų118106 Ų10655%0.55156%0.564SS**Hα-helixtrans-69.5-43.9173.6-88.9-178.7-38.100112.3L680 L681 H682 L686 C687 E688L680-Q684 WeakPolarHBondContact O-CB 3.47Å; L680-Q684 PolarHBondContact O-N 3.34Å; L681-Q684 PolarHBondContact O-N 3.36Å; H682-Q684 VanDerWaalsContact C-N 3.34Å; Q684-L686 VanDerWaalsContact C-N 3.34Å; Q684-L686 PolarHBondContact O-N 2.93Å; Q684-C687 PolarHBondContact O-N 3.26Å; Q684-E688 PolarHBondContact O-N 3.47Å
685E70Confident66.1Low122 Ų122104 Ų10457%0.5755%0.553SS**Hα-helixtrans-62.8-41.3175.7-72.3176.3162.300111.7L681 H682 E688 G689L681-E685 PolarHBondContact O-N 3.46Å; H682-E685 IonicContact ND1-OE2 3.64Å; E685-E688 PolarHBondContact O-N 2.78Å; E685-G689 PolarHBondContact O-N 2.88Å
686L67.2Low67Low114 Ų114104.1 Ų104.160%0.59755%0.55SS**Hα-helixtrans-66.3-38.7175.2-161.179.3000111.7H682 Q684 G689 M690H682-L686 WeakPolarHBondContact O-CB 3.35Å; H682-L686 PolarHBondContact O-N 3Å; Q684-L686 VanDerWaalsContact C-N 3.34Å; Q684-L686 PolarHBondContact O-N 2.93Å; L686-G689 PolarHBondContact O-N 3.01Å; L686-M690 WeakPolarHBondContact O-CB 3.29Å; L686-M690 VanDerWaalsContact O-CG 3.28Å; L686-M690 WeakPolarHBondContact O-CG 3.33Å; L686-M690 PolarHBondContact O-N 3.16Å
687C69.9Low67.8Low61 Ų61103.3 Ų103.341%0.41254%0.54SS..Hα-helixtrans-66.5-40.4177.7-167.20000111.9M683 Q684 M690 K691M683-C687 WeakPolarHBondContact O-CB 3.14Å; M683-C687 PolarHBondContact O-N 3.39Å; Q684-C687 PolarHBondContact O-N 3.26Å; C687-M690 PolarHBondContact O-N 3.18Å; C687-K691 VanDerWaalsContact O-CG 3.3Å; C687-K691 WeakPolarHBondContact O-CG 3.37Å; C687-K691 PolarHBondContact O-N 3.08Å
688E75.9Confident68.9Low100 Ų100100 Ų10047%0.46753%0.53SS..Hα-helixtrans-68.8-40.1174.6-73.4-55.2136.800112.3Q684 E685 M690 K691 L692Q684-E688 PolarHBondContact O-N 3.47Å; E685-E688 PolarHBondContact O-N 2.78Å; E688-M690 VanDerWaalsContact C-N 3.32Å; E688-M690 PolarHBondContact O-N 3.25Å; E688-K691 PolarHBondContact O-N 2.71Å; E688-K691 IonicContact OE1-NZ 2.75Å; E688-K691 PolarHBondContact OE1-NZ 2.77Å; E688-L692 PolarHBondContact O-N 3.4Å
689G78.7Confident69.8Low42 Ų4298.5 Ų98.543%0.43352%0.522SS..Hα-helixtrans-60.6-40.4172.900000112.8E685 L686 L692 L693E685-G689 PolarHBondContact O-N 2.88Å; L686-G689 PolarHBondContact O-N 3.01Å; G689-L692 PolarHBondContact O-N 2.76Å; G689-L693 PolarHBondContact O-N 2.95Å; G689-L693 VanDerWaalsContact O-N 3.08Å
690M67.9Low70.7Confident126 Ų12697.5 Ų97.562%0.62152%0.517SS*.Hα-helixtrans-69.7-33.1176.1-73.5-176.77300113L686 C687 E688 A694L686-M690 WeakPolarHBondContact O-CB 3.29Å; L686-M690 VanDerWaalsContact O-CG 3.28Å; L686-M690 WeakPolarHBondContact O-CG 3.33Å; L686-M690 PolarHBondContact O-N 3.16Å; C687-M690 PolarHBondContact O-N 3.18Å; E688-M690 VanDerWaalsContact C-N 3.32Å; E688-M690 PolarHBondContact O-N 3.25Å; M690-A694 VanDerWaalsContact O-CB 3.26Å; M690-A694 WeakPolarHBondContact O-CB 3.32Å; M690-A694 PolarHBondContact O-N 2.89Å
691K74.6Confident71.6Confident115 Ų11596.6 Ų96.650%0.551%0.513SS..Hα-helixtrans-68.3-40.7174.5-74.5173-167.4169.40112.2C687 E688 A694 S695C687-K691 VanDerWaalsContact O-CG 3.3Å; C687-K691 WeakPolarHBondContact O-CG 3.37Å; C687-K691 PolarHBondContact O-N 3.08Å; E688-K691 PolarHBondContact O-N 2.71Å; E688-K691 IonicContact OE1-NZ 2.75Å; E688-K691 PolarHBondContact OE1-NZ 2.77Å; K691-A694 PolarHBondContact O-N 2.85Å; K691-S695 PolarHBondContact O-N 2.85Å
692L77Confident72.1Confident112 Ų11298.8 Ų98.859%0.58651%0.514SS*.Hα-helixtrans-61.7-48.6174.6-106142.1000111.1E688 G689 A694 S695 D696E688-L692 PolarHBondContact O-N 3.4Å; G689-L692 PolarHBondContact O-N 2.76Å; L692-A694 VanDerWaalsContact C-N 3.32Å; L692-A694 PolarHBondContact O-N 3.31Å; L692-S695 WeakPolarHBondContact O-CB 3.13Å; L692-S695 PolarHBondContact O-N 3.41Å; L692-S695 VanDerWaalsContact O-N 3.14Å; L692-D696 PolarHBondContact O-N 3.41Å
693L73.1Confident72.7Confident112 Ų11296.8 Ų96.859%0.58651%0.507SS*.Hα-helixtrans-62.7-38.2177.4-16378.2000112.3G689 D696 L697G689-L693 PolarHBondContact O-N 2.95Å; G689-L693 VanDerWaalsContact O-N 3.08Å; L693-D696 PolarHBondContact O-N 3.36Å; L693-L697 HydrophobicContact CG-CD1 4.34Å; L693-L697 WeakPolarHBondContact O-CB 3.4Å; L693-L697 WeakPolarHBondContact O-CG 3.38Å; L693-L697 PolarHBondContact O-N 2.78Å
694A75.6Confident73.3Confident47 Ų4795 Ų9539%0.38850%0.499SS..Hα-helixtrans-67.1-35.4175.600000112.4M690 K691 L692 L698M690-A694 VanDerWaalsContact O-CB 3.26Å; M690-A694 WeakPolarHBondContact O-CB 3.32Å; M690-A694 PolarHBondContact O-N 2.89Å; K691-A694 PolarHBondContact O-N 2.85Å; L692-A694 VanDerWaalsContact C-N 3.32Å; L692-A694 PolarHBondContact O-N 3.31Å; A694-L698 WeakPolarHBondContact O-CB 3.4Å; A694-L698 PolarHBondContact O-N 3.47Å
695S75.8Confident73.4Confident63 Ų6395.6 Ų95.644%0.44150%0.502SS..Hα-helixtrans-65.5-45.9173.9-167.40000111.3K691 L692 L697 L698 D699K691-S695 PolarHBondContact O-N 2.85Å; L692-S695 WeakPolarHBondContact O-CB 3.13Å; L692-S695 PolarHBondContact O-N 3.41Å; L692-S695 VanDerWaalsContact O-N 3.14Å; S695-L697 VanDerWaalsContact C-N 3.33Å; S695-L697 PolarHBondContact O-N 3.32Å; S695-L698 PolarHBondContact O-N 2.93Å; S695-D699 PolarHBondContact O-N 3.35Å
696D75.9Confident73.3Confident89 Ų8999.2 Ų99.248%0.47651%0.51SS..Hα-helixtrans-64.3-38.2178-71.3-15.4000111.8L692 L693 D699 N700L692-D696 PolarHBondContact O-N 3.41Å; L693-D696 PolarHBondContact O-N 3.36Å; D696-D699 PolarHBondContact O-N 2.99Å; D696-N700 WeakPolarHBondContact O-CB 3.48Å; D696-N700 VanDerWaalsContact O-CG 3.29Å; D696-N700 PolarHBondContact O-N 2.98Å; D696-N700 PolarHBondContact O-ND2 3.07Å; D696-N700 VanDerWaalsContact O-ND2 3.12Å
697L74.6Confident73.2Confident95 Ų95100.3 Ų100.350%0.49752%0.516SS..Hα-helixtrans-67.5-37.8174.2-78.6165.7000112.4L693 S695 N701L693-L697 HydrophobicContact CG-CD1 4.34Å; L693-L697 WeakPolarHBondContact O-CB 3.4Å; L693-L697 WeakPolarHBondContact O-CG 3.38Å; L693-L697 PolarHBondContact O-N 2.78Å; S695-L697 VanDerWaalsContact C-N 3.33Å; S695-L697 PolarHBondContact O-N 3.32Å; L697-N701 WeakPolarHBondContact O-CB 3.08Å; L697-N701 VanDerWaalsContact O-CG 3.29Å; L697-N701 PolarHBondContact O-N 3.31Å; L697-N701 PolarHBondContact O-ND2 3.48Å
698L75.6Confident72.3Confident104 Ų104103.5 Ų103.555%0.54553%0.529SS..Hα-helixtrans-66.4-40.3175.1-90.5160000112.1A694 S695 N701 R702A694-L698 WeakPolarHBondContact O-CB 3.4Å; A694-L698 PolarHBondContact O-N 3.47Å; S695-L698 PolarHBondContact O-N 2.93Å; L698-N701 PolarHBondContact O-N 3.05Å; L698-R702 WeakPolarHBondContact O-CG 3.36Å; L698-R702 PolarHBondContact O-N 3.46Å
699D74.1Confident71Confident75 Ų75108.3 Ų108.340%0.40154%0.543SS..Hα-helixtrans-70.3-39176.8-83.6-16.5000112S695 D696 N701 R702 I703S695-D699 PolarHBondContact O-N 3.35Å; D696-D699 PolarHBondContact O-N 2.99Å; D699-N701 PolarHBondContact O-N 3.21Å; D699-R702 PolarHBondContact O-N 3.43Å; D699-R702 IonicContact OD1-NH1 2.88Å; D699-I703 VanDerWaalsContact O-CG1 3.31Å; D699-I703 WeakPolarHBondContact O-CG1 3.37Å; D699-I703 PolarHBondContact O-N 3.38Å
700N74.3Confident69.9Low89 Ų89112.6 Ų112.648%0.47656%0.56SS.*Hα-helixtrans-61.5-42.4171.4-76.5-33.5000112D696 R702 I703 I704D696-N700 WeakPolarHBondContact O-CB 3.48Å; D696-N700 VanDerWaalsContact O-CG 3.29Å; D696-N700 PolarHBondContact O-N 2.98Å; D696-N700 PolarHBondContact O-ND2 3.07Å; D696-N700 VanDerWaalsContact O-ND2 3.12Å; N700-R702 PolarHBondContact O-N 3.49Å; N700-I703 PolarHBondContact O-N 2.9Å; N700-I704 VanDerWaalsContact O-CG1 3.31Å; N700-I704 WeakPolarHBondContact O-CG1 3.15Å; N700-I704 PolarHBondContact O-N 3Å
701N74.3Confident69.2Low89 Ų89112.1 Ų112.148%0.47657%0.566SS.*Hα-helixtrans-63.9-38.5175.4-77.2-21.8000112.3L697 L698 D699 I703 I704 E705L697-N701 WeakPolarHBondContact O-CB 3.08Å; L697-N701 VanDerWaalsContact O-CG 3.29Å; L697-N701 PolarHBondContact O-N 3.31Å; L697-N701 PolarHBondContact O-ND2 3.48Å; L698-N701 PolarHBondContact O-N 3.05Å; D699-N701 PolarHBondContact O-N 3.21Å; N701-I703 VanDerWaalsContact C-N 3.34Å; N701-I703 PolarHBondContact O-N 3.18Å; N701-I704 PolarHBondContact O-N 3.15Å; N701-E705 WeakPolarHBondContact O-CG 3.41Å; N701-E705 PolarHBondContact O-N 3.39Å
702R72.9Confident67.9Low145 Ų145111.1 Ų111.155%0.54758%0.58SS.*Hα-helixtrans-64.7-35.5174.1-77.1172.2172.4175.3-1.4113L698 D699 N700 R706L698-R702 WeakPolarHBondContact O-CG 3.36Å; L698-R702 PolarHBondContact O-N 3.46Å; D699-R702 PolarHBondContact O-N 3.43Å; D699-R702 IonicContact OD1-NH1 2.88Å; N700-R702 PolarHBondContact O-N 3.49Å; R702-R706 WeakPolarHBondContact O-CG 3.44Å; R702-R706 PolarHBondContact O-N 2.96Å; R702-R706 VanDerWaalsContact O-N 3.09Å
703I73.6Confident66.6Low89 Ų89109.9 Ų109.946%0.45659%0.586SS.*Hα-helixtrans-66.9-43.7175-68.7165.5000110D699 N700 N701 E705 R706 L707D699-I703 VanDerWaalsContact O-CG1 3.31Å; D699-I703 WeakPolarHBondContact O-CG1 3.37Å; D699-I703 PolarHBondContact O-N 3.38Å; N700-I703 PolarHBondContact O-N 2.9Å; N701-I703 VanDerWaalsContact C-N 3.34Å; N701-I703 PolarHBondContact O-N 3.18Å; I703-E705 PolarHBondContact O-N 3.45Å; I703-R706 PolarHBondContact O-N 3.29Å; I703-L707 HydrophobicContact CG2-CD1 3.97Å; I703-L707 WeakPolarHBondContact O-CG 3.34Å; I703-L707 PolarHBondContact O-N 2.99Å
704I71.5Confident65.8Low89 Ų89110.7 Ų110.746%0.45660%0.598SS.*Hα-helixtrans-63.6-41.9177.2-66.2165.7000111.1N700 N701 R706 L707 N708N700-I704 VanDerWaalsContact O-CG1 3.31Å; N700-I704 WeakPolarHBondContact O-CG1 3.15Å; N700-I704 PolarHBondContact O-N 3Å; N701-I704 PolarHBondContact O-N 3.15Å; I704-R706 VanDerWaalsContact C-N 3.31Å; I704-R706 PolarHBondContact O-N 2.78Å; I704-L707 PolarHBondContact O-N 3.34Å; I704-N708 PolarHBondContact O-N 3.24Å
705E69.6Low64.4Low129 Ų129116 Ų11660%0.60362%0.62SS**Hα-helixtrans-64.5-32.3175-76.3-176.217500113.2N701 I703N701-E705 WeakPolarHBondContact O-CG 3.41Å; N701-E705 PolarHBondContact O-N 3.39Å; I703-E705 PolarHBondContact O-N 3.45Å
706R66.8Low62.8Low199 Ų199123.4 Ų123.475%0.75166%0.662SS**Hα-helixtrans-71.3-35.3173.3-76.8178.1-173.9178.13.4112.6R702 I703 I704R702-R706 WeakPolarHBondContact O-CG 3.44Å; R702-R706 PolarHBondContact O-N 2.96Å; R702-R706 VanDerWaalsContact O-N 3.09Å; I703-R706 PolarHBondContact O-N 3.29Å; I704-R706 VanDerWaalsContact C-N 3.31Å; I704-R706 PolarHBondContact O-N 2.78Å
707L64.9Low62.1Low137 Ų137125.1 Ų125.172%0.71767%0.671SS**Hα-helixtrans-74-27.5178.1-70.7167.2000112.6I703 I704I703-L707 HydrophobicContact CG2-CD1 3.97Å; I703-L707 WeakPolarHBondContact O-CG 3.34Å; I703-L707 PolarHBondContact O-N 2.99Å; I704-L707 PolarHBondContact O-N 3.34Å
708N51.6Low61.5Low127 Ų127126.7 Ų126.768%0.67968%0.68SS**THydrogen-bonded Turntrans-87.7-3.2179.3-78.4-22.9000114.9I704 V710I704-N708 PolarHBondContact O-N 3.24Å; N708-V710 PolarHBondContact O-N 3.27Å
709R49.7Very low60.7Low201 Ų201127.9 Ų127.976%0.75869%0.687SS**  trans-83.7100.3173.2-77.6-175.1-175.8-1611.5110.4
710V55.5Low59.9Low132 Ų132131.1 Ų131.180%0.870%0.704SS**PPolyproline II helixtrans-62126.8161.6-179.10000107.9N708 A712N708-V710 PolarHBondContact O-N 3.27Å; V710-A712 PolarHBondContact O-N 3.11Å
711P52Low59Low116 Ų116133.7 Ų133.775%0.75372%0.719SS**PPolyproline II helixtrans-66.5124.3175.523.9-28.6000109.7
712A47Very low58Low95 Ų95136.7 Ų136.779%0.78574%0.735SS**PPolyproline II helixtrans-61.9136167.600000109.3V710V710-A712 PolarHBondContact O-N 3.11Å
713A50.5Low56.9Low86 Ų86136.1 Ų136.171%0.71175%0.748SS**PPolyproline II helixtrans-57.8139.7172.400000110D715A713-D715 PolarHBondContact O-N 2.69Å
714P56.2Low55.6Low129 Ų129139.7 Ų139.784%0.83877%0.771SS**PPolyproline II helixtrans-70126.2170.526.4-28.8000109.9
715D46.6Very low54.3Low159 Ų159143.9 Ų143.985%0.8580%0.797SS**PPolyproline II helixtrans-67.7131.2166.3-85.9-38.6000110.4A713A713-D715 PolarHBondContact O-N 2.69Å
716V40.9Very low52.9Low217 Ų217145.3 Ų145.3100%1.31581%0.814SS**  trans75.20167.7-166.30000118

Retrieved 716 of 716 residues in 645.9 ms (Link to these results)

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