A0A087X7F0_POEFO Loading...

non-specific serine/threonine protein kinase

AlphaFold DB , UniProt , Accession A0A087X7F0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 402 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
1M57.8Low69Low96 Ų9680.2 Ų80.247%0.47345%0.454SS..  0119.40-147.6-166-142.100106.4V3 L50 I57 Q61 L88M1-V3 HydrophobicContact CB-CG2 4.08Å; M1-V3 HydrophobicContact CG-CG2 3.61Å; M1-V3 HydrophobicContact SD-CG2 3.49Å; M1-V3 WeakPolarHBondContact SD-CG2 3.22Å; M1-L50 HydrophobicContact CE-CD2 3.88Å; M1-L50 HydrophobicContact SD-CD1 4.46Å; M1-I57 HydrophobicContact CE-CB 4.14Å; M1-I57 HydrophobicContact CE-CG1 4.16Å; M1-I57 HydrophobicContact CE-CG2 3.59Å; M1-Q61 HydrophobicContact CE-CG 3.7Å; M1-Q61 HydrophobicContact CG-CG 3.83Å; M1-Q61 HydrophobicContact SD-CG 3.98Å; M1-L88 HydrophobicContact SD-CD2 4.39Å
2D63.9Low70.7Confident153 Ų15378.3 Ų78.382%0.81844%0.441SS*.  trans-98.4106.7174.5-165.47.8000107.2
3V67.3Low72.4Confident4 Ų472.3 Ų72.32%0.02441%0.408CS..  trans-127.4133.5-172.6-166.20000109.2M1 G5 M6 Q61 I64M1-V3 HydrophobicContact CB-CG2 4.08Å; M1-V3 HydrophobicContact CG-CG2 3.61Å; M1-V3 HydrophobicContact SD-CG2 3.49Å; M1-V3 WeakPolarHBondContact SD-CG2 3.22Å; V3-G5 PolarHBondContact O-N 2.74Å; V3-M6 HydrophobicContact CB-CB 4.3Å; V3-M6 HydrophobicContact CB-CE 3.7Å; V3-M6 HydrophobicContact CG2-CE 3.47Å; V3-M6 VanDerWaalsContact CG2-CE 3.47Å; V3-M6 WeakPolarHBondContact O-CB 3.4Å; V3-M6 PolarHBondContact O-N 3.16Å; V3-Q61 HydrophobicContact CG2-CG 4.05Å; V3-I64 HydrophobicContact CG1-CB 3.71Å; V3-I64 HydrophobicContact CG1-CD1 3.8Å; V3-I64 HydrophobicContact CG1-CG1 4.37Å; V3-I64 HydrophobicContact CG1-CG2 3.4Å; V3-I64 VanDerWaalsContact CG1-CG2 3.4Å
4P66.9Low73.9Confident48 Ų4874.7 Ų74.731%0.31241%0.414SS..THydrogen-bonded Turntrans-56.8128.7177.8-27.536.9000112.6M6 T65 S68 Y78P4-M6 VanDerWaalsContact C-N 3.26Å; P4-M6 PolarHBondContact O-N 2.86Å; P4-T65 WeakPolarHBondContact CD-OG1 3.31Å; P4-T65 HydrophobicContact CG-CG2 4.16Å; P4-S68 WeakPolarHBondContact CB-OG 3.31Å; P4-Y78 PolarHBondContact O-OH 3.46Å
5G71.4Confident75.2Confident38 Ų3879.4 Ų79.439%0.39243%0.432SS..THydrogen-bonded Turntrans75.98.7-178.400000115V3 Q7 S81V3-G5 PolarHBondContact O-N 2.74Å; G5-Q7 PolarHBondContact O-N 3.1Å; G5-Q7 PolarHBondContact O-NE2 2.78Å; G5-S81 PolarHBondContact O-N 3.23Å
6M78.9Confident76.5Confident52 Ų5276.1 Ų76.126%0.25641%0.414SS..BIsolated β-bridgetrans-59.1117.1168.6-17369.26900109.3V3 P4 S81 L83 L88V3-M6 HydrophobicContact CB-CB 4.3Å; V3-M6 HydrophobicContact CB-CE 3.7Å; V3-M6 HydrophobicContact CG2-CE 3.47Å; V3-M6 VanDerWaalsContact CG2-CE 3.47Å; V3-M6 WeakPolarHBondContact O-CB 3.4Å; V3-M6 PolarHBondContact O-N 3.16Å; P4-M6 VanDerWaalsContact C-N 3.26Å; P4-M6 PolarHBondContact O-N 2.86Å; M6-S81 WeakPolarHBondContact CA-O 3.5Å; M6-L83 HydrophobicContact SD-CB 4.43Å; M6-L88 HydrophobicContact CE-CD1 3.73Å; M6-L88 HydrophobicContact SD-CD1 4.35Å
7Q78.1Confident77.8Confident80 Ų8072.3 Ų72.337%0.37439%0.392SS..PPolyproline II helixtrans-77.7155.5175-61.4-59.5-4800110.3G5 S9 S81 Y82G5-Q7 PolarHBondContact O-N 3.1Å; G5-Q7 PolarHBondContact O-NE2 2.78Å; Q7-S9 PolarHBondContact O-N 3.29Å; Q7-S81 PolarHBondContact N-O 2.74Å; Q7-Y82 HydrophobicContact CB-CD1 3.69Å; Q7-Y82 HydrophobicContact CB-CE1 3.47Å; Q7-Y82 VanDerWaalsContact CB-CE1 3.47Å; Q7-Y82 HydrophobicContact CG-CD1 4.01Å; Q7-Y82 HydrophobicContact CG-CE1 3.37Å; Q7-Y82 HydrophobicContact CG-CE2 4.27Å
8S66.1Low78.8Confident64 Ų6471.9 Ų71.945%0.44839%0.393SS..PPolyproline II helixtrans-46.7132.6179.8178.20000111Q10 I11S8-Q10 PolarHBondContact O-N 3.41Å; S8-Q10 PolarHBondContact OG-N 2.92Å; S8-I11 PolarHBondContact O-N 2.88Å
9S62.6Low79.7Confident106 Ų10671.9 Ų71.974%0.74139%0.388SS*.THydrogen-bonded Turntrans-60.1-5.9177.6560000114.1Q7Q7-S9 PolarHBondContact O-N 3.29Å
10Q64.5Low80.6Confident178 Ų17871.8 Ų71.883%0.83239%0.387SS*.THydrogen-bonded Turntrans-85-13.1174.8-65.6-177.9-13.900113.9S8S8-Q10 PolarHBondContact O-N 3.41Å; S8-Q10 PolarHBondContact OG-N 2.92Å
11I81.4Confident81.1Confident63 Ų6374.4 Ų74.432%0.32340%0.401SS..SBendtrans-97.6114.1-178-55.9175.5000109.1S8 P13 L16S8-I11 PolarHBondContact O-N 2.88Å; I11-P13 WeakPolarHBondContact O-CD 3.38Å; I11-L16 HydrophobicContact CG2-CD1 3.58Å; I11-L16 HydrophobicContact CG2-CD2 4.35Å; I11-L16 HydrophobicContact CG2-CG 3.9Å
12D88.9Confident82.8Confident57 Ų5775.7 Ų75.731%0.30540%0.401SS..  trans-71.5119.6174.6-171.9-21.8000109.7E14 E15 K84D12-E14 PolarHBondContact O-N 3.43Å; D12-E14 PolarHBondContact OD1-N 2.7Å; D12-E15 HydrophobicContact CB-CG 4.12Å; D12-E15 WeakPolarHBondContact O-CB 3.27Å; D12-E15 PolarHBondContact O-N 3.32Å; D12-E15 VanDerWaalsContact O-N 3.1Å; D12-K84 WeakPolarHBondContact OD1-CD 3.31Å; D12-K84 IonicContact OD1-NZ 2.73Å; D12-K84 PolarHBondContact OD1-NZ 3.34Å; D12-K84 IonicContact OD2-NZ 2.75Å; D12-K84 PolarHBondContact OD2-NZ 2.78Å
13P93.4Very high84Confident1 Ų172.1 Ų72.11%0.00638%0.381CS..Hα-helixtrans-60.4-23.7178.723.2-33.1000113.9I11 E15 L16 F17 Y82 K84 W89I11-P13 WeakPolarHBondContact O-CD 3.38Å; P13-E15 VanDerWaalsContact C-N 3.29Å; P13-E15 PolarHBondContact O-N 3.29Å; P13-L16 PolarHBondContact O-N 2.86Å; P13-F17 WeakPolarHBondContact O-CD2 3.35Å; P13-F17 PolarHBondContact O-N 3Å; P13-Y82 HydrophobicContact CB-CD1 4.3Å; P13-Y82 HydrophobicContact CB-CG 3.96Å; P13-K84 HydrophobicContact CG-CB 3.85Å; P13-K84 HydrophobicContact CG-CD 4.09Å; P13-W89 HydrophobicContact CB-CD2 4.1Å; P13-W89 HydrophobicContact CB-CE3 3.8Å; P13-W89 HydrophobicContact CB-CZ3 4.2Å; P13-W89 HydrophobicContact CG-CD2 4.08Å; P13-W89 HydrophobicContact CG-CE3 4.25Å; P13-W89 HydrophobicContact CG-CG 4.35Å
14E93.8Very high84.8Confident106 Ų10673.3 Ų73.350%0.49539%0.394SS..Hα-helixtrans-72.5-21.6177.2-74.4176.2-168.900113.1D12 L16 K84 W89D12-E14 PolarHBondContact O-N 3.43Å; D12-E14 PolarHBondContact OD1-N 2.7Å; E14-L16 VanDerWaalsContact C-N 3.31Å; E14-K84 HydrophobicContact CG-CD 4.3Å; E14-K84 WeakPolarHBondContact OE1-CE 3.45Å; E14-K84 IonicContact OE1-NZ 3.33Å; E14-K84 PolarHBondContact OE1-NZ 3.05Å; E14-K84 IonicContact OE2-NZ 2.69Å; E14-K84 PolarHBondContact OE2-NZ 3.48Å; E14-W89 HydrophobicContact CG-CH2 3.72Å; E14-W89 HydrophobicContact CG-CZ2 4.16Å
15E93.6Very high85.4Confident145 Ų14577.7 Ų77.768%0.67841%0.408SS*.Hα-helixtrans-71.5-32.7170.3-66.1-178.1174.800111D12 P13 N37D12-E15 HydrophobicContact CB-CG 4.12Å; D12-E15 WeakPolarHBondContact O-CB 3.27Å; D12-E15 PolarHBondContact O-N 3.32Å; D12-E15 VanDerWaalsContact O-N 3.1Å; P13-E15 VanDerWaalsContact C-N 3.29Å; P13-E15 PolarHBondContact O-N 3.29Å; E15-N37 PolarHBondContact O-ND2 2.75Å
16L95.7Very high85.3Confident27 Ų2776.9 Ų76.914%0.14140%0.4CS..Hα-helixtrans-89.1-32.8-177.7-60.5-174.9000113.4I11 P13 E14 N37 Y82I11-L16 HydrophobicContact CG2-CD1 3.58Å; I11-L16 HydrophobicContact CG2-CD2 4.35Å; I11-L16 HydrophobicContact CG2-CG 3.9Å; P13-L16 PolarHBondContact O-N 2.86Å; E14-L16 VanDerWaalsContact C-N 3.31Å; L16-N37 VanDerWaalsContact O-CB 3.31Å; L16-N37 WeakPolarHBondContact O-CB 3.47Å; L16-N37 PolarHBondContact O-N 2.75Å; L16-Y82 HydrophobicContact CD1-CD1 4.31Å; L16-Y82 HydrophobicContact CD1-CE1 3.41Å; L16-Y82 VanDerWaalsContact CD1-CE1 3.41Å
17F97.5Very high84.5Confident11 Ų1178.7 Ų78.75%0.04842%0.417CS..EExtended strand (participates in β ladder)trans-131.9131.5-173.1-55.9-82.5000111.6P13 I35 D36 V43 I45 Y82 W89 I91P13-F17 WeakPolarHBondContact O-CD2 3.35Å; P13-F17 PolarHBondContact O-N 3Å; F17-I35 CarbonylContact C-O 3.52Å; F17-I35 WeakPolarHBondContact CA-O 3.11Å; F17-D36 HydrophobicContact CD1-CB 3.92Å; F17-D36 HydrophobicContact CE1-CB 3.76Å; F17-V43 HydrophobicContact CD1-CG2 3.97Å; F17-V43 HydrophobicContact CE1-CG2 4.39Å; F17-I45 HydrophobicContact CB-CD1 3.98Å; F17-Y82 HydrophobicContact CE2-CD2 4.19Å; F17-Y82 HydrophobicContact CE2-CE1 4.46Å; F17-Y82 AromaticContact CE2-CE2 3.55Å; F17-Y82 HydrophobicContact CE2-CE2 3.55Å; F17-Y82 AromaticContact CE2-CZ 3.69Å; F17-Y82 HydrophobicContact CZ-CE2 4.1Å; F17-W89 HydrophobicContact CB-CZ3 4.49Å; F17-I91 HydrophobicContact CD1-CG2 4.34Å; F17-I91 HydrophobicContact CD2-CD1 4.07Å; F17-I91 HydrophobicContact CD2-CG1 4.36Å; F17-I91 HydrophobicContact CE1-CG1 4.42Å; F17-I91 HydrophobicContact CE1-CG2 3.72Å; F17-I91 HydrophobicContact CE2-CD1 4.09Å; F17-I91 HydrophobicContact CE2-CG1 3.86Å; F17-I91 HydrophobicContact CG-CD1 4.36Å; F17-I91 HydrophobicContact CZ-CB 4.4Å; F17-I91 HydrophobicContact CZ-CD1 4.38Å; F17-I91 HydrophobicContact CZ-CG1 3.9Å; F17-I91 HydrophobicContact CZ-CG2 3.89Å
18T97.3Very high84.1Confident65 Ų6576.2 Ų76.240%0.39941%0.406SS..EExtended strand (participates in β ladder)trans-87.5114.7167.5-59.60000109.1L20 G34 I35 N37T18-L20 HydrophobicContact CG2-CD2 4.04Å; T18-G34 CarbonylContact O-C 3.51Å; T18-G34 WeakPolarHBondContact O-CA 3.33Å; T18-I35 PolarHBondContact N-O 2.9Å; T18-I35 PolarHBondContact O-N 3.46Å; T18-N37 PolarHBondContact N-OD1 3.2Å; T18-N37 PolarHBondContact OG1-OD1 2.84Å
19K95.9Very high84.7Confident72 Ų7274 Ų7431%0.31339%0.393SS..EExtended strand (participates in β ladder)trans-78.5129.2174.8-169.5176.9-179.5173.60110.2F32 T47 W89K19-F32 HydrophobicContact CD-CD1 4.36Å; K19-F32 HydrophobicContact CD-CD2 4.43Å; K19-F32 HydrophobicContact CD-CG 4.2Å; K19-F32 VanDerWaalsContact CE-CE1 3.44Å; K19-F32 VanDerWaalsContact CE-CZ 3.45Å; K19-F32 HydrophobicContact CG-CB 3.93Å; K19-F32 HydrophobicContact CG-CD1 4.23Å; K19-F32 HydrophobicContact CG-CG 4.07Å; K19-F32 VanDerWaalsContact NZ-CZ 3.3Å; K19-T47 PolarHBondContact NZ-OG1 2.8Å; K19-W89 HydrophobicContact CB-CH2 4.12Å; K19-W89 HydrophobicContact CD-CH2 3.98Å; K19-W89 HydrophobicContact CD-CZ2 4.19Å
20L96.1Very high86Confident69 Ų6972 Ų7236%0.36137%0.371SS..EExtended strand (participates in β ladder)trans-112.5-153.1179.8-56.4178.1000110T18 K33 I35T18-L20 HydrophobicContact CG2-CD2 4.04Å; L20-K33 WeakPolarHBondContact CA-O 3.49Å; L20-K33 HydrophobicContact CB-CB 4.26Å; L20-K33 WeakPolarHBondContact CB-O 3.48Å; L20-K33 HydrophobicContact CD1-CD 4.39Å; L20-K33 HydrophobicContact CD1-CG 4.25Å; L20-K33 PolarHBondContact N-O 2.79Å; L20-I35 HydrophobicContact CD1-CD1 4.22Å; L20-I35 HydrophobicContact CD1-CG1 3.89Å
21D92.4Very high87.4Confident128 Ų12864.5 Ų64.568%0.68434%0.338SS*.EExtended strand (participates in β ladder)trans-58.9147.4-175.9-49.3-50.5000113I23 F32 K33D21-I23 PolarHBondContact O-N 3.19Å; D21-F32 WeakPolarHBondContact O-CA 3.21Å; D21-K33 PolarHBondContact O-N 3.46Å
22R93.5Very high88Confident122 Ų12262.5 Ų62.546%0.4633%0.327SS..EExtended strand (participates in β ladder)trans-67.2124.7170.6-170176.471.2-172.20.3108.8E30 F32 S296R22-E30 WeakPolarHBondContact CD-OE1 3.46Å; R22-E30 IonicContact CZ-OE1 2.77Å; R22-E30 IonicContact NE-OE1 3.11Å; R22-E30 IonicContact NH1-OE1 3.61Å; R22-E30 PolarHBondContact NH1-OE1 3.1Å; R22-F32 HydrophobicContact CB-CD1 3.85Å; R22-F32 HydrophobicContact CB-CE1 3.71Å; R22-F32 HydrophobicContact CB-CZ 4.47Å; R22-F32 HydrophobicContact CG-CD1 4.32Å; R22-F32 HydrophobicContact CG-CE1 4.04Å; R22-F32 HydrophobicContact CG-CZ 4.34Å; R22-S296 PolarHBondContact NH2-O 3.28Å
23I89.1Confident88.4Confident78 Ų7862.7 Ų62.740%0.433%0.325SS..EExtended strand (participates in β ladder)trans-108.6-11.7-178.959.1175.6000113D21 V31 K33 Y94D21-I23 PolarHBondContact O-N 3.19Å; I23-V31 HydrophobicContact CD1-CG1 3.97Å; I23-V31 HydrophobicContact CG1-CB 4.24Å; I23-V31 HydrophobicContact CG1-CG1 3.88Å; I23-V31 WeakPolarHBondContact CG1-O 3.47Å; I23-V31 PolarHBondContact N-O 3.35Å; I23-K33 HydrophobicContact CD1-CB 4.48Å; I23-K33 HydrophobicContact CG2-CB 3.81Å; I23-Y94 HydrophobicContact CD1-CD2 4.02Å; I23-Y94 HydrophobicContact CD1-CE2 3.72Å
24G83.4Confident88.6Confident29 Ų2962.7 Ų62.730%0.29933%0.325SS..EExtended strand (participates in β ladder)trans-176.2174.4176.100000112.9V31G24-V31 PolarHBondContact N-O 2.98Å; G24-V31 VanDerWaalsContact N-O 3.14Å; G24-V31 PolarHBondContact O-N 2.8Å
25K80.5Confident88.8Confident140 Ų14059.2 Ų59.261%0.60931%0.309SS*.EExtended strand (participates in β ladder)trans-131.3118.3171.7-175.5177.2179.8176.70107.6G29K25-G29 CarbonylContact C-O 3.51Å
26G67.5Low89Confident21 Ų2153.4 Ų53.422%0.21628%0.283CS..EExtended strand (participates in β ladder)trans-94.4-177.4174.100000111.7F28 G29G26-F28 VanDerWaalsContact C-N 3.3Å; G26-F28 PolarHBondContact O-N 3.44Å; G26-G29 PolarHBondContact N-O 2.89Å; G26-G29 PolarHBondContact O-N 3.35Å
27S62.8Low89Confident90 Ų9054.6 Ų54.663%0.62929%0.29SS*.THydrogen-bonded Turntrans-59.9-36.8-177.6-50.30000113.7
28F69.1Low89Confident29 Ų2963 Ų6313%0.12732%0.321CS..THydrogen-bonded Turntrans-104-3.1-173.9-57.6-65.3000114G26 I48 E56 I60 V158G26-F28 VanDerWaalsContact C-N 3.3Å; G26-F28 PolarHBondContact O-N 3.44Å; F28-I48 HydrophobicContact CB-CD1 3.74Å; F28-I48 HydrophobicContact CB-CG1 3.88Å; F28-I48 HydrophobicContact CB-CG2 4.21Å; F28-I48 WeakPolarHBondContact O-CG2 3.42Å; F28-E56 HydrophobicContact CD1-CB 4.4Å; F28-E56 WeakPolarHBondContact CD1-OE2 3.35Å; F28-E56 HydrophobicContact CE1-CB 4.16Å; F28-E56 HydrophobicContact CE1-CG 4.27Å; F28-E56 WeakPolarHBondContact CE1-OE2 3.47Å; F28-I60 HydrophobicContact CD1-CD1 4.38Å; F28-I60 HydrophobicContact CD1-CG1 4.22Å; F28-I60 HydrophobicContact CG-CG1 4.19Å; F28-V158 HydrophobicContact CE1-CG2 4.29Å; F28-V158 HydrophobicContact CE2-CG2 3.65Å; F28-V158 HydrophobicContact CZ-CG2 3.2Å
29G80.4Confident88.9Confident17 Ų1763.5 Ų63.518%0.17532%0.324CS..EExtended strand (participates in β ladder)trans163.5-164.8-174.600000114.6K25 G26 T47K25-G29 CarbonylContact C-O 3.51Å; G26-G29 PolarHBondContact N-O 2.89Å; G26-G29 PolarHBondContact O-N 3.35Å; G29-T47 WeakPolarHBondContact CA-O 3.16Å
30E89.9Confident89Confident63 Ų6366.4 Ų66.429%0.29434%0.339SS..EExtended strand (participates in β ladder)trans-102.4144.6-173.3-65.9-176.9120.400110.9R22 F32 K46 T47R22-E30 WeakPolarHBondContact CD-OE1 3.46Å; R22-E30 IonicContact CZ-OE1 2.77Å; R22-E30 IonicContact NE-OE1 3.11Å; R22-E30 IonicContact NH1-OE1 3.61Å; R22-E30 PolarHBondContact NH1-OE1 3.1Å; E30-F32 HydrophobicContact CB-CD2 4.22Å; E30-F32 HydrophobicContact CB-CE2 3.34Å; E30-F32 HydrophobicContact CB-CZ 3.75Å; E30-F32 HydrophobicContact CG-CE2 4.5Å; E30-F32 WeakPolarHBondContact OE2-CZ 3.43Å; E30-K46 CarbonylContact O-C 3.6Å; E30-K46 WeakPolarHBondContact O-CA 3.37Å; E30-T47 PolarHBondContact N-O 3.03Å; E30-T47 VanDerWaalsContact N-O 3.09Å; E30-T47 PolarHBondContact O-N 3.33Å
31V92.3Very high89Confident21 Ų2170.2 Ų70.213%0.12735%0.352CS..EExtended strand (participates in β ladder)trans-111.2129.1177.7-170.30000108.7I23 G24 A44 I45 K46I23-V31 HydrophobicContact CD1-CG1 3.97Å; I23-V31 HydrophobicContact CG1-CB 4.24Å; I23-V31 HydrophobicContact CG1-CG1 3.88Å; I23-V31 WeakPolarHBondContact CG1-O 3.47Å; I23-V31 PolarHBondContact N-O 3.35Å; G24-V31 PolarHBondContact N-O 2.98Å; G24-V31 VanDerWaalsContact N-O 3.14Å; G24-V31 PolarHBondContact O-N 2.8Å; V31-A44 HydrophobicContact CG1-CB 4.37Å; V31-I45 WeakPolarHBondContact CA-O 3.41Å; V31-K46 HydrophobicContact CG2-CB 4.3Å; V31-K46 HydrophobicContact CG2-CG 4.22Å
32F95.3Very high89.2Confident22 Ų2266.9 Ų66.910%0.09634%0.336CS..EExtended strand (participates in β ladder)trans-120.3148.1-178.8-60.6-98.6000110.4K19 D21 R22 E30 A44 I45K19-F32 HydrophobicContact CD-CD1 4.36Å; K19-F32 HydrophobicContact CD-CD2 4.43Å; K19-F32 HydrophobicContact CD-CG 4.2Å; K19-F32 VanDerWaalsContact CE-CE1 3.44Å; K19-F32 VanDerWaalsContact CE-CZ 3.45Å; K19-F32 HydrophobicContact CG-CB 3.93Å; K19-F32 HydrophobicContact CG-CD1 4.23Å; K19-F32 HydrophobicContact CG-CG 4.07Å; K19-F32 VanDerWaalsContact NZ-CZ 3.3Å; D21-F32 WeakPolarHBondContact O-CA 3.21Å; R22-F32 HydrophobicContact CB-CD1 3.85Å; R22-F32 HydrophobicContact CB-CE1 3.71Å; R22-F32 HydrophobicContact CB-CZ 4.47Å; R22-F32 HydrophobicContact CG-CD1 4.32Å; R22-F32 HydrophobicContact CG-CE1 4.04Å; R22-F32 HydrophobicContact CG-CZ 4.34Å; E30-F32 HydrophobicContact CB-CD2 4.22Å; E30-F32 HydrophobicContact CB-CE2 3.34Å; E30-F32 HydrophobicContact CB-CZ 3.75Å; E30-F32 HydrophobicContact CG-CE2 4.5Å; E30-F32 WeakPolarHBondContact OE2-CZ 3.43Å; F32-A44 WeakPolarHBondContact O-CA 3.44Å; F32-I45 HydrophobicContact CB-CB 4.49Å; F32-I45 PolarHBondContact N-O 2.79Å; F32-I45 PolarHBondContact O-N 3.24Å
33K96.6Very high89.4Confident61 Ų6161.2 Ų61.227%0.26532%0.315SS..EExtended strand (participates in β ladder)trans-70.3146.2161.7-170.6175.6-177.3174.20108L20 D21 I23 V42 Y94L20-K33 WeakPolarHBondContact CA-O 3.49Å; L20-K33 HydrophobicContact CB-CB 4.26Å; L20-K33 WeakPolarHBondContact CB-O 3.48Å; L20-K33 HydrophobicContact CD1-CD 4.39Å; L20-K33 HydrophobicContact CD1-CG 4.25Å; L20-K33 PolarHBondContact N-O 2.79Å; D21-K33 PolarHBondContact O-N 3.46Å; I23-K33 HydrophobicContact CD1-CB 4.48Å; I23-K33 HydrophobicContact CG2-CB 3.81Å; K33-V42 HydrophobicContact CD-CG1 4.26Å; K33-V42 VanDerWaalsContact CE-CG1 3.49Å; K33-V42 HydrophobicContact CG-CG1 3.78Å; K33-Y94 HydrophobicContact CD-CE2 4.37Å; K33-Y94 HydrophobicContact CG-CD2 4.48Å; K33-Y94 HydrophobicContact CG-CE2 4.14Å
34G97.6Very high89.7Confident0 Ų057.9 Ų57.90%030%0.3CS..EExtended strand (participates in β ladder)trans-148.2169.2174.500000112.6T18 V42 V43T18-G34 CarbonylContact O-C 3.51Å; T18-G34 WeakPolarHBondContact O-CA 3.33Å; G34-V42 CarbonylContact O-C 3.59Å; G34-V42 WeakPolarHBondContact O-CA 3.46Å; G34-V43 PolarHBondContact N-O 2.89Å; G34-V43 PolarHBondContact O-N 2.85Å
35I98.1Very high90.3Very high34 Ų3456.5 Ų56.517%0.17429%0.285CS..EExtended strand (participates in β ladder)trans-120.2126.9174-56.1-62.9000108.1F17 T18 L20 N37 K41 V42F17-I35 CarbonylContact C-O 3.52Å; F17-I35 WeakPolarHBondContact CA-O 3.11Å; T18-I35 PolarHBondContact N-O 2.9Å; T18-I35 PolarHBondContact O-N 3.46Å; L20-I35 HydrophobicContact CD1-CD1 4.22Å; L20-I35 HydrophobicContact CD1-CG1 3.89Å; I35-N37 PolarHBondContact O-N 2.83Å; I35-K41 WeakPolarHBondContact CA-O 3.36Å; I35-V42 HydrophobicContact CD1-CB 4.39Å; I35-V42 HydrophobicContact CD1-CG2 3.82Å
36D97.7Very high90.8Very high23 Ų2350.1 Ų50.112%0.12326%0.257CS..EExtended strand (participates in β ladder)trans-70.1111.6163.9174.6-8.5000108.8F17 R38 T39 Q40 K41 V43F17-D36 HydrophobicContact CD1-CB 3.92Å; F17-D36 HydrophobicContact CE1-CB 3.76Å; D36-R38 PolarHBondContact O-N 2.84Å; D36-R38 VanDerWaalsContact O-N 3.1Å; D36-R38 VanDerWaalsContact OD1-CB 3.27Å; D36-R38 WeakPolarHBondContact OD1-CB 3.47Å; D36-R38 PolarHBondContact OD1-N 2.87Å; D36-T39 WeakPolarHBondContact CB-OG1 3.49Å; D36-T39 PolarHBondContact O-N 2.89Å; D36-T39 PolarHBondContact OD1-N 3.17Å; D36-T39 WeakPolarHBondContact OD2-CG2 3.33Å; D36-T39 PolarHBondContact OD2-OG1 2.69Å; D36-Q40 VanDerWaalsContact O-CA 3.22Å; D36-Q40 WeakPolarHBondContact O-CA 3.49Å; D36-Q40 PolarHBondContact O-N 3.33Å; D36-K41 PolarHBondContact N-O 2.86Å; D36-V43 HydrophobicContact CB-CG1 4.41Å
37N96.9Very high92Very high52 Ų5249.6 Ų49.628%0.27825%0.25SS..THydrogen-bonded Turntrans-62.4-21.4-175.2-64.4-22.6000112.5E15 L16 T18 I35 Q40E15-N37 PolarHBondContact O-ND2 2.75Å; L16-N37 VanDerWaalsContact O-CB 3.31Å; L16-N37 WeakPolarHBondContact O-CB 3.47Å; L16-N37 PolarHBondContact O-N 2.75Å; T18-N37 PolarHBondContact N-OD1 3.2Å; T18-N37 PolarHBondContact OG1-OD1 2.84Å; I35-N37 PolarHBondContact O-N 2.83Å; N37-Q40 PolarHBondContact O-NE2 2.75Å
38R95.7Very high93.3Very high188 Ų18845.3 Ų45.371%0.70922%0.22SC*.THydrogen-bonded Turntrans-84.1-41.8-178.4-56.7157.463.7174.13111.6D36D36-R38 PolarHBondContact O-N 2.84Å; D36-R38 VanDerWaalsContact O-N 3.1Å; D36-R38 VanDerWaalsContact OD1-CB 3.27Å; D36-R38 WeakPolarHBondContact OD1-CB 3.47Å; D36-R38 PolarHBondContact OD1-N 2.87Å
39T96.6Very high94.4Very high74 Ų7445.6 Ų45.645%0.45422%0.223SC..THydrogen-bonded Turntrans-104.2-11.3-173.765.50000113.5D36 K41D36-T39 WeakPolarHBondContact CB-OG1 3.49Å; D36-T39 PolarHBondContact O-N 2.89Å; D36-T39 PolarHBondContact OD1-N 3.17Å; D36-T39 WeakPolarHBondContact OD2-CG2 3.33Å; D36-T39 PolarHBondContact OD2-OG1 2.69Å; T39-K41 PolarHBondContact O-N 2.93Å; T39-K41 VanDerWaalsContact O-N 3.16Å; T39-K41 WeakPolarHBondContact OG1-CB 3.14Å; T39-K41 PolarHBondContact OG1-N 2.73Å
40Q96.6Very high94.7Very high134 Ų13446.1 Ų46.163%0.62622%0.222SC*.  trans57.318.4-171.9-58.6-64.2-54.800113.3D36 N37D36-Q40 VanDerWaalsContact O-CA 3.22Å; D36-Q40 WeakPolarHBondContact O-CA 3.49Å; D36-Q40 PolarHBondContact O-N 3.33Å; N37-Q40 PolarHBondContact O-NE2 2.75Å
41K96.1Very high94.7Very high148 Ų14850.5 Ų50.564%0.64324%0.242SC*.  trans-82.7143.7176.3-68.7-174.7177.8-176.90110.5I35 D36 T39I35-K41 WeakPolarHBondContact CA-O 3.36Å; D36-K41 PolarHBondContact N-O 2.86Å; T39-K41 PolarHBondContact O-N 2.93Å; T39-K41 VanDerWaalsContact O-N 3.16Å; T39-K41 WeakPolarHBondContact OG1-CB 3.14Å; T39-K41 PolarHBondContact OG1-N 2.73Å
42V97.2Very high94.3Very high59 Ų5956.3 Ų56.336%0.35827%0.268SS..EExtended strand (participates in β ladder)trans-73.5134.6171.7-170.90000109.5K33 G34 I35 Y94K33-V42 HydrophobicContact CD-CG1 4.26Å; K33-V42 VanDerWaalsContact CE-CG1 3.49Å; K33-V42 HydrophobicContact CG-CG1 3.78Å; G34-V42 CarbonylContact O-C 3.59Å; G34-V42 WeakPolarHBondContact O-CA 3.46Å; I35-V42 HydrophobicContact CD1-CB 4.39Å; I35-V42 HydrophobicContact CD1-CG2 3.82Å; V42-Y94 HydrophobicContact CB-CD1 4.11Å; V42-Y94 HydrophobicContact CB-CG 4.47Å; V42-Y94 HydrophobicContact CG1-CD1 3.42Å; V42-Y94 VanDerWaalsContact CG1-CD1 3.42Å; V42-Y94 HydrophobicContact CG1-CD2 4.3Å; V42-Y94 HydrophobicContact CG1-CE1 3.93Å; V42-Y94 HydrophobicContact CG1-CG 3.62Å
43V97.4Very high93.7Very high3 Ų355.5 Ų55.52%0.01827%0.265CS..EExtended strand (participates in β ladder)trans-130.3159.6178.4-63.50000110.6F17 G34 D36 I45 F79 I91F17-V43 HydrophobicContact CD1-CG2 3.97Å; F17-V43 HydrophobicContact CE1-CG2 4.39Å; G34-V43 PolarHBondContact N-O 2.89Å; G34-V43 PolarHBondContact O-N 2.85Å; D36-V43 HydrophobicContact CB-CG1 4.41Å; V43-I45 HydrophobicContact CG2-CD1 4.36Å; V43-I45 HydrophobicContact CG2-CG1 4.01Å; V43-F79 HydrophobicContact CG1-CD2 4.12Å; V43-F79 HydrophobicContact CG1-CE2 4.13Å; V43-I91 HydrophobicContact CB-CG2 3.99Å; V43-I91 HydrophobicContact CG1-CG2 4.16Å; V43-I91 HydrophobicContact CG2-CG2 4.11Å
44A96Very high92.8Very high8 Ų859.7 Ų59.77%0.06629%0.286CS..EExtended strand (participates in β ladder)trans-97.2134165.600000108.8V31 F32 M92 Y94V31-A44 HydrophobicContact CG1-CB 4.37Å; F32-A44 WeakPolarHBondContact O-CA 3.44Å; A44-M92 HydrophobicContact CB-CB 4.42Å; A44-M92 PolarHBondContact N-O 3.49Å; A44-M92 PolarHBondContact O-N 3.27Å; A44-Y94 HydrophobicContact CB-CD2 4.48Å
45I95.3Very high91.9Very high0 Ų063.3 Ų63.30%031%0.305CS..EExtended strand (participates in β ladder)trans-118.3103.5-179.4-54.3-179.4000107.7F17 V31 F32 V43 W89 I91F17-I45 HydrophobicContact CB-CD1 3.98Å; V31-I45 WeakPolarHBondContact CA-O 3.41Å; F32-I45 HydrophobicContact CB-CB 4.49Å; F32-I45 PolarHBondContact N-O 2.79Å; F32-I45 PolarHBondContact O-N 3.24Å; V43-I45 HydrophobicContact CG2-CD1 4.36Å; V43-I45 HydrophobicContact CG2-CG1 4.01Å; I45-W89 HydrophobicContact CD1-CE3 4.23Å; I45-W89 HydrophobicContact CD1-CZ3 3.97Å; I45-W89 HydrophobicContact CG2-CB 4.39Å; I45-W89 HydrophobicContact CG2-CD2 3.84Å; I45-W89 HydrophobicContact CG2-CE3 3.43Å; I45-W89 VanDerWaalsContact CG2-CE3 3.43Å; I45-W89 HydrophobicContact CG2-CG 4.28Å; I45-W89 HydrophobicContact CG2-CZ3 4.01Å; I45-I91 HydrophobicContact CB-CD1 4.42Å; I45-I91 HydrophobicContact CD1-CD1 4.47Å; I45-I91 HydrophobicContact CG1-CD1 3.98Å; I45-I91 HydrophobicContact CG2-CD1 4.02Å
46K92.6Very high90.9Very high5 Ų563.6 Ų63.62%0.02231%0.306CS..EExtended strand (participates in β ladder)trans-86.8117.6171.9-178.1174.2-178.4178.60108E30 V31 I48 E63 W89 I90 M92 D155E30-K46 CarbonylContact O-C 3.6Å; E30-K46 WeakPolarHBondContact O-CA 3.37Å; V31-K46 HydrophobicContact CG2-CB 4.3Å; V31-K46 HydrophobicContact CG2-CG 4.22Å; K46-I48 HydrophobicContact CG-CG1 4.41Å; K46-E63 IonicContact NZ-OE1 3.7Å; K46-E63 PolarHBondContact NZ-OE1 3.19Å; K46-E63 IonicContact NZ-OE2 3.61Å; K46-W89 CarbonylContact O-C 3.51Å; K46-W89 WeakPolarHBondContact O-CA 3.48Å; K46-I90 HydrophobicContact CB-CB 4.26Å; K46-I90 HydrophobicContact CD-CD1 4.46Å; K46-I90 PolarHBondContact N-O 3.27Å; K46-I90 PolarHBondContact O-N 2.98Å; K46-M92 HydrophobicContact CB-CE 3.8Å; K46-M92 HydrophobicContact CD-CE 4.19Å; K46-D155 IonicContact NZ-OD1 3.42Å; K46-D155 PolarHBondContact NZ-OD1 3.48Å
47T92.3Very high90.2Very high11 Ų1164.8 Ų64.87%0.06731%0.312CS..EExtended strand (participates in β ladder)trans-105.1121.6178.6-52.90000109.2K19 G29 E30 K87 L88K19-T47 PolarHBondContact NZ-OG1 2.8Å; G29-T47 WeakPolarHBondContact CA-O 3.16Å; E30-T47 PolarHBondContact N-O 3.03Å; E30-T47 VanDerWaalsContact N-O 3.09Å; E30-T47 PolarHBondContact O-N 3.33Å; T47-K87 HydrophobicContact CG2-CB 3.93Å; T47-K87 HydrophobicContact CG2-CD 3.85Å; T47-K87 HydrophobicContact CG2-CG 4.32Å; T47-L88 CarbonylContact C-O 3.37Å; T47-L88 WeakPolarHBondContact CA-O 3.38Å
48I90.8Very high89.5Confident0 Ų070 Ų700%033%0.334CS..EExtended strand (participates in β ladder)trans-115.5132.1178-60.7174.1000108.3F28 K46 L50 A53 I60 K87 L88 I90F28-I48 HydrophobicContact CB-CD1 3.74Å; F28-I48 HydrophobicContact CB-CG1 3.88Å; F28-I48 HydrophobicContact CB-CG2 4.21Å; F28-I48 WeakPolarHBondContact O-CG2 3.42Å; K46-I48 HydrophobicContact CG-CG1 4.41Å; I48-L50 HydrophobicContact CG2-CD2 4.31Å; I48-A53 HydrophobicContact CG2-CB 4.19Å; I48-I60 HydrophobicContact CD1-CD1 4.4Å; I48-I60 HydrophobicContact CD1-CG1 4.25Å; I48-I60 HydrophobicContact CD1-CG2 3.94Å; I48-I60 HydrophobicContact CG2-CD1 3.76Å; I48-K87 CarbonylContact O-C 3.57Å; I48-K87 VanDerWaalsContact O-CA 3.31Å; I48-K87 WeakPolarHBondContact O-CA 3.3Å; I48-L88 HydrophobicContact CB-CB 4.42Å; I48-L88 PolarHBondContact N-O 3.33Å; I48-L88 PolarHBondContact O-N 3.35Å; I48-I90 HydrophobicContact CD1-CD1 3.73Å
49D90.7Very high88.6Confident35 Ų3562.2 Ų62.219%0.18731%0.307CS..EExtended strand (participates in β ladder)trans-87.7110.6172.5-157-40.5000110E51 E52 A53 S86D49-E51 VanDerWaalsContact C-N 3.25Å; D49-E51 PolarHBondContact O-N 3.08Å; D49-E51 PolarHBondContact OD1-N 3.3Å; D49-E51 VanDerWaalsContact OD1-N 3.16Å; D49-E52 HydrophobicContact CB-CB 4.28Å; D49-E52 HydrophobicContact CB-CG 4.13Å; D49-E52 PolarHBondContact O-N 3.19Å; D49-A53 WeakPolarHBondContact O-CB 3.02Å; D49-A53 PolarHBondContact O-N 3.03Å; D49-S86 PolarHBondContact OD1-OG 3.34Å
50L88.3Confident87.9Confident28 Ų2858.7 Ų58.715%0.14729%0.285CS..THydrogen-bonded Turntrans-72-19.8-175.5-61.4179.3000112.8M1 I48 E54 L83 S86 L88M1-L50 HydrophobicContact CE-CD2 3.88Å; M1-L50 HydrophobicContact SD-CD1 4.46Å; I48-L50 HydrophobicContact CG2-CD2 4.31Å; L50-E54 PolarHBondContact O-N 3.32Å; L50-L83 HydrophobicContact CD1-CD1 3.67Å; L50-S86 VanDerWaalsContact CB-O 3.26Å; L50-S86 WeakPolarHBondContact CB-O 3.4Å; L50-S86 WeakPolarHBondContact CG-O 3.49Å; L50-S86 PolarHBondContact N-O 3.07Å; L50-L88 HydrophobicContact CD1-CB 4.17Å; L50-L88 HydrophobicContact CD2-CB 3.99Å; L50-L88 HydrophobicContact CD2-CD2 4.25Å; L50-L88 HydrophobicContact CG-CB 4.05Å
51E88.8Confident87.3Confident154 Ų15454.8 Ų54.872%0.7227%0.267SS*.THydrogen-bonded Turntrans-72.7-36.3173.5-73.3179.7-175.300111.1D49D49-E51 VanDerWaalsContact C-N 3.25Å; D49-E51 PolarHBondContact O-N 3.08Å; D49-E51 PolarHBondContact OD1-N 3.3Å; D49-E51 VanDerWaalsContact OD1-N 3.16Å
52E84.9Confident86.5Confident144 Ų14451.9 Ų51.967%0.67326%0.256SS*.THydrogen-bonded Turntrans-77.5-29.1176.3-60.7-169.6164.300112.3D49 R321D49-E52 HydrophobicContact CB-CB 4.28Å; D49-E52 HydrophobicContact CB-CG 4.13Å; D49-E52 PolarHBondContact O-N 3.19Å; E52-R321 PolarHBondContact O-NH1 2.92Å
53A80.8Confident85.7Confident5 Ų549.5 Ų49.54%0.04124%0.24CC..THydrogen-bonded Turntrans-99.320.4-175.900000114.2I48 D49 D55 E56 I57 I60I48-A53 HydrophobicContact CG2-CB 4.19Å; D49-A53 WeakPolarHBondContact O-CB 3.02Å; D49-A53 PolarHBondContact O-N 3.03Å; A53-D55 PolarHBondContact O-N 3.41Å; A53-D55 VanDerWaalsContact O-N 3.08Å; A53-E56 HydrophobicContact CB-CB 4.4Å; A53-E56 CarbonylContact O-C 3.55Å; A53-E56 WeakPolarHBondContact O-CA 3.15Å; A53-E56 PolarHBondContact O-N 3.2Å; A53-I57 PolarHBondContact O-N 3.23Å; A53-I57 VanDerWaalsContact O-N 3.14Å; A53-I60 HydrophobicContact CB-CD1 3.8Å
54E79.2Confident85.1Confident148 Ų14849.4 Ų49.469%0.69224%0.24SC*.G310 helixtrans-48.5-42.3-175.6-172.9-179.9-171.300112.9L50 E56L50-E54 PolarHBondContact O-N 3.32Å; E54-E56 VanDerWaalsContact C-N 3.28Å; E54-E56 PolarHBondContact O-N 3.08Å
55D78.4Confident84.6Confident76 Ų7650.5 Ų50.541%0.40625%0.246SC..G310 helixtrans-73.9-12.6-179.5-81.4-28000115A53 R169A53-D55 PolarHBondContact O-N 3.41Å; A53-D55 VanDerWaalsContact O-N 3.08Å; D55-R169 VanDerWaalsContact CG-NH2 3.26Å; D55-R169 PolarHBondContact O-NH1 3.08Å; D55-R169 IonicContact OD1-CZ 2.75Å; D55-R169 IonicContact OD1-NE 3.61Å; D55-R169 IonicContact OD1-NH1 3.35Å; D55-R169 IonicContact OD1-NH2 2.84Å; D55-R169 PolarHBondContact OD1-NH2 3.25Å; D55-R169 IonicContact OD2-CZ 3.71Å; D55-R169 IonicContact OD2-NE 2.78Å; D55-R169 IonicContact OD2-NH2 3.87Å
56E77.2Confident84.1Confident40 Ų4051.2 Ų51.219%0.18725%0.25CS..G310 helixtrans-118.63.5-170.9-66.1157.1-144.600111.6F28 A53 E54 E58 D59 I60 R321F28-E56 HydrophobicContact CD1-CB 4.4Å; F28-E56 WeakPolarHBondContact CD1-OE2 3.35Å; F28-E56 HydrophobicContact CE1-CB 4.16Å; F28-E56 HydrophobicContact CE1-CG 4.27Å; F28-E56 WeakPolarHBondContact CE1-OE2 3.47Å; A53-E56 HydrophobicContact CB-CB 4.4Å; A53-E56 CarbonylContact O-C 3.55Å; A53-E56 WeakPolarHBondContact O-CA 3.15Å; A53-E56 PolarHBondContact O-N 3.2Å; E54-E56 VanDerWaalsContact C-N 3.28Å; E54-E56 PolarHBondContact O-N 3.08Å; E56-E58 VanDerWaalsContact C-N 3.31Å; E56-E58 PolarHBondContact O-N 2.62Å; E56-D59 WeakPolarHBondContact O-CB 3.4Å; E56-D59 PolarHBondContact O-N 3.38Å; E56-D59 VanDerWaalsContact O-N 3.12Å; E56-I60 HydrophobicContact CB-CD1 4.41Å; E56-I60 WeakPolarHBondContact O-CD1 3.43Å; E56-I60 WeakPolarHBondContact O-CG1 3.29Å; E56-I60 PolarHBondContact O-N 3.25Å; E56-R321 IonicContact OE1-NH2 3.21Å; E56-R321 PolarHBondContact OE1-NH2 3.38Å
57I82.8Confident83.7Confident49 Ų4951.2 Ų51.225%0.25125%0.251SS..Hα-helixtrans-54.9-43.2-179.2-80.8177.6000112.2M1 A53 D59 I60 Q61M1-I57 HydrophobicContact CE-CB 4.14Å; M1-I57 HydrophobicContact CE-CG1 4.16Å; M1-I57 HydrophobicContact CE-CG2 3.59Å; A53-I57 PolarHBondContact O-N 3.23Å; A53-I57 VanDerWaalsContact O-N 3.14Å; I57-D59 VanDerWaalsContact C-N 3.34Å; I57-I60 PolarHBondContact O-N 3.13Å; I57-Q61 VanDerWaalsContact CG2-NE2 3.3Å; I57-Q61 VanDerWaalsContact O-CG 3.28Å; I57-Q61 WeakPolarHBondContact O-CG 3.21Å; I57-Q61 PolarHBondContact O-N 3.32Å
58E81.3Confident83.5Confident161 Ų16152.8 Ų52.875%0.75226%0.262SS*.Hα-helixtrans-65.3-40.5179.4-66.7-177.1175.900111.4E56 Q61 Q62E56-E58 VanDerWaalsContact C-N 3.31Å; E56-E58 PolarHBondContact O-N 2.62Å; E58-Q61 PolarHBondContact O-N 3.05Å; E58-Q62 WeakPolarHBondContact O-CB 3.5Å; E58-Q62 PolarHBondContact O-N 2.95Å
59D77.7Confident83.5Confident24 Ų2457.9 Ų57.913%0.12829%0.286CS..Hα-helixtrans-64.7-43.3178.2-70.7-33.1000111.4E56 I57 Q62 E63 V158E56-D59 WeakPolarHBondContact O-CB 3.4Å; E56-D59 PolarHBondContact O-N 3.38Å; E56-D59 VanDerWaalsContact O-N 3.12Å; I57-D59 VanDerWaalsContact C-N 3.34Å; D59-Q62 PolarHBondContact O-N 2.9Å; D59-E63 PolarHBondContact O-N 2.86Å; D59-V158 HydrophobicContact CB-CB 4.39Å; D59-V158 HydrophobicContact CB-CG1 3.4Å; D59-V158 VanDerWaalsContact CB-CG1 3.4Å; D59-V158 HydrophobicContact CB-CG2 4.2Å; D59-V158 WeakPolarHBondContact OD1-CG1 3.45Å
60I82.7Confident83.4Confident0 Ų057 Ų570%028%0.282CS..Hα-helixtrans-62.5-43.6175.1-66.6158.3000111.2F28 I48 A53 E56 I57 Q62 E63 I64 L88F28-I60 HydrophobicContact CD1-CD1 4.38Å; F28-I60 HydrophobicContact CD1-CG1 4.22Å; F28-I60 HydrophobicContact CG-CG1 4.19Å; I48-I60 HydrophobicContact CD1-CD1 4.4Å; I48-I60 HydrophobicContact CD1-CG1 4.25Å; I48-I60 HydrophobicContact CD1-CG2 3.94Å; I48-I60 HydrophobicContact CG2-CD1 3.76Å; A53-I60 HydrophobicContact CB-CD1 3.8Å; E56-I60 HydrophobicContact CB-CD1 4.41Å; E56-I60 WeakPolarHBondContact O-CD1 3.43Å; E56-I60 WeakPolarHBondContact O-CG1 3.29Å; E56-I60 PolarHBondContact O-N 3.25Å; I57-I60 PolarHBondContact O-N 3.13Å; I60-Q62 VanDerWaalsContact C-N 3.31Å; I60-Q62 PolarHBondContact O-N 3.32Å; I60-E63 PolarHBondContact O-N 3.05Å; I60-I64 HydrophobicContact CG2-CD1 3.95Å; I60-I64 WeakPolarHBondContact O-CG1 3.36Å; I60-I64 PolarHBondContact O-N 3.39Å; I60-L88 HydrophobicContact CG2-CD2 3.78Å
61Q83.3Confident83.7Confident52 Ų5261.8 Ų61.824%0.24331%0.308CS..Hα-helixtrans-62.2-41.6177.1-71.6174.229.500111.7M1 V3 I57 E58 I64 T65M1-Q61 HydrophobicContact CE-CG 3.7Å; M1-Q61 HydrophobicContact CG-CG 3.83Å; M1-Q61 HydrophobicContact SD-CG 3.98Å; V3-Q61 HydrophobicContact CG2-CG 4.05Å; I57-Q61 VanDerWaalsContact CG2-NE2 3.3Å; I57-Q61 VanDerWaalsContact O-CG 3.28Å; I57-Q61 WeakPolarHBondContact O-CG 3.21Å; I57-Q61 PolarHBondContact O-N 3.32Å; E58-Q61 PolarHBondContact O-N 3.05Å; Q61-I64 PolarHBondContact O-N 2.96Å; Q61-T65 VanDerWaalsContact O-CB 3.32Å; Q61-T65 WeakPolarHBondContact O-CB 3.24Å; Q61-T65 PolarHBondContact O-N 2.85Å; Q61-T65 PolarHBondContact O-OG1 3.34Å
62Q79.3Confident84.1Confident88 Ų8854.9 Ų54.941%0.41128%0.276SS..Hα-helixtrans-66-41.7178.6-173.261.93100111.2E58 D59 I60 T65 V66 A159E58-Q62 WeakPolarHBondContact O-CB 3.5Å; E58-Q62 PolarHBondContact O-N 2.95Å; D59-Q62 PolarHBondContact O-N 2.9Å; I60-Q62 VanDerWaalsContact C-N 3.31Å; I60-Q62 PolarHBondContact O-N 3.32Å; Q62-T65 PolarHBondContact O-N 3.18Å; Q62-V66 WeakPolarHBondContact O-CG2 3.27Å; Q62-V66 PolarHBondContact O-N 2.91Å; Q62-A159 HydrophobicContact CG-CB 3.86Å
63E80Confident84.7Confident8 Ų851.9 Ų51.94%0.03727%0.269CS..Hα-helixtrans-56.6-52.2174.3-177.4-177.8157.200110.8K46 D59 I60 T65 V66 L67 F156K46-E63 IonicContact NZ-OE1 3.7Å; K46-E63 PolarHBondContact NZ-OE1 3.19Å; K46-E63 IonicContact NZ-OE2 3.61Å; D59-E63 PolarHBondContact O-N 2.86Å; I60-E63 PolarHBondContact O-N 3.05Å; E63-T65 VanDerWaalsContact C-N 3.3Å; E63-T65 PolarHBondContact O-N 2.96Å; E63-V66 PolarHBondContact O-N 2.8Å; E63-L67 WeakPolarHBondContact O-CB 3.26Å; E63-L67 PolarHBondContact O-N 3.33Å; E63-F156 HydrophobicContact CG-CB 4.26Å; E63-F156 WeakPolarHBondContact CG-O 3.48Å
64I85.2Confident85.5Confident1 Ų154.5 Ų54.51%0.00528%0.279CS..Hα-helixtrans-63.4-39.5179.9-63.1164.7000110.9V3 I60 Q61 L67 S68 Y78 L88 I90V3-I64 HydrophobicContact CG1-CB 3.71Å; V3-I64 HydrophobicContact CG1-CD1 3.8Å; V3-I64 HydrophobicContact CG1-CG1 4.37Å; V3-I64 HydrophobicContact CG1-CG2 3.4Å; V3-I64 VanDerWaalsContact CG1-CG2 3.4Å; I60-I64 HydrophobicContact CG2-CD1 3.95Å; I60-I64 WeakPolarHBondContact O-CG1 3.36Å; I60-I64 PolarHBondContact O-N 3.39Å; Q61-I64 PolarHBondContact O-N 2.96Å; I64-L67 PolarHBondContact O-N 2.84Å; I64-S68 WeakPolarHBondContact O-CB 3.08Å; I64-S68 PolarHBondContact O-N 2.83Å; I64-S68 PolarHBondContact O-OG 2.81Å; I64-Y78 HydrophobicContact CG2-CE1 4.44Å; I64-Y78 HydrophobicContact CG2-CE2 3.94Å; I64-L88 HydrophobicContact CD1-CD2 3.69Å; I64-I90 HydrophobicContact CD1-CD1 3.72Å; I64-I90 HydrophobicContact CD1-CG1 3.99Å; I64-I90 HydrophobicContact CG1-CD1 3.8Å; I64-I90 HydrophobicContact CG1-CG1 4.3Å
65T85.4Confident86.3Confident31 Ų3147.6 Ų47.619%0.1925%0.246CC..Hα-helixtrans-61.1-49.1177.8-62.40000111.2P4 Q61 Q62 E63 S68 Q69P4-T65 WeakPolarHBondContact CD-OG1 3.31Å; P4-T65 HydrophobicContact CG-CG2 4.16Å; Q61-T65 VanDerWaalsContact O-CB 3.32Å; Q61-T65 WeakPolarHBondContact O-CB 3.24Å; Q61-T65 PolarHBondContact O-N 2.85Å; Q61-T65 PolarHBondContact O-OG1 3.34Å; Q62-T65 PolarHBondContact O-N 3.18Å; E63-T65 VanDerWaalsContact C-N 3.3Å; E63-T65 PolarHBondContact O-N 2.96Å; T65-S68 PolarHBondContact O-N 3.31Å; T65-S68 PolarHBondContact O-OG 3.15Å; T65-Q69 VanDerWaalsContact O-CG 3.31Å; T65-Q69 WeakPolarHBondContact O-CG 3.42Å; T65-Q69 PolarHBondContact O-N 3.4Å
66V83.8Confident87Confident16 Ų1644.2 Ų44.210%0.09723%0.228CC..Hα-helixtrans-61.9-47.4177.9171.20000110.7Q62 E63 S68 Q69 C70 K133 F156Q62-V66 WeakPolarHBondContact O-CG2 3.27Å; Q62-V66 PolarHBondContact O-N 2.91Å; E63-V66 PolarHBondContact O-N 2.8Å; V66-S68 PolarHBondContact O-N 3.3Å; V66-Q69 PolarHBondContact O-N 2.73Å; V66-C70 PolarHBondContact O-N 2.79Å; V66-C70 PolarHBondContact O-SG 2.95Å; V66-K133 HydrophobicContact CG1-CD 4.03Å; V66-K133 HydrophobicContact CG1-CG 4.46Å; V66-F156 HydrophobicContact CG1-CD1 3.92Å; V66-F156 HydrophobicContact CG1-CE1 4.18Å; V66-F156 HydrophobicContact CG1-CG 4.35Å
67L85.2Confident87.8Confident5 Ų546.5 Ų46.53%0.02624%0.238CC..Hα-helixtrans-63.5-40.4-178.9-173.269.3000111.7E63 I64 Q69 C70 I75 Y78 M92 F156E63-L67 WeakPolarHBondContact O-CB 3.26Å; E63-L67 PolarHBondContact O-N 3.33Å; I64-L67 PolarHBondContact O-N 2.84Å; L67-Q69 PolarHBondContact O-N 2.96Å; L67-C70 WeakPolarHBondContact O-CB 3.27Å; L67-C70 PolarHBondContact O-N 2.88Å; L67-C70 VanDerWaalsContact O-N 3.07Å; L67-I75 HydrophobicContact CD1-CG2 4.29Å; L67-Y78 HydrophobicContact CD2-CD2 4.2Å; L67-Y78 HydrophobicContact CD2-CG 4.35Å; L67-Y78 HydrophobicContact CG-CG 4.49Å; L67-M92 HydrophobicContact CD2-CG 4.44Å; L67-M92 HydrophobicContact CD2-SD 4.03Å; L67-F156 HydrophobicContact CB-CD2 4.42Å; L67-F156 HydrophobicContact CD1-CD2 3.68Å; L67-F156 HydrophobicContact CD1-CE2 3.39Å
68S88.7Confident88.4Confident43 Ų4345.9 Ų45.930%0.30123%0.232SC..Hα-helixtrans-64.7-22.1178.174.70000114.1P4 I64 T65 V66P4-S68 WeakPolarHBondContact CB-OG 3.31Å; I64-S68 WeakPolarHBondContact O-CB 3.08Å; I64-S68 PolarHBondContact O-N 2.83Å; I64-S68 PolarHBondContact O-OG 2.81Å; T65-S68 PolarHBondContact O-N 3.31Å; T65-S68 PolarHBondContact O-OG 3.15Å; V66-S68 PolarHBondContact O-N 3.3Å
69Q89.1Confident89Confident108 Ų10843.4 Ų43.451%0.50522%0.22SC..THydrogen-bonded Turntrans-92.2-3.2177.6-66.51715.600112.8T65 V66 L67T65-Q69 VanDerWaalsContact O-CG 3.31Å; T65-Q69 WeakPolarHBondContact O-CG 3.42Å; T65-Q69 PolarHBondContact O-N 3.4Å; V66-Q69 PolarHBondContact O-N 2.73Å; L67-Q69 PolarHBondContact O-N 2.96Å
70C90.3Very high89.7Confident16 Ų1642.3 Ų42.311%0.10821%0.214CC..  trans-91.1124.1179.1-67.20000110.5V66 L67 I75 Y127V66-C70 PolarHBondContact O-N 2.79Å; V66-C70 PolarHBondContact O-SG 2.95Å; L67-C70 WeakPolarHBondContact O-CB 3.27Å; L67-C70 PolarHBondContact O-N 2.88Å; L67-C70 VanDerWaalsContact O-N 3.07Å; C70-I75 HydrophobicContact CB-CB 4.47Å; C70-I75 HydrophobicContact CB-CG2 3.92Å; C70-Y127 WeakPolarHBondContact CA-OH 3.46Å; C70-Y127 HydrophobicContact CB-CE1 4.25Å
71D93.6Very high90.2Very high129 Ų12942.3 Ų42.369%0.6921%0.214SC*.  trans-131.390.9169.1-174.822.1000108.7Y127D71-Y127 PolarHBondContact N-OH 3.47Å; D71-Y127 PolarHBondContact O-OH 3.32Å
72S96.4Very high90.7Very high8 Ų840.6 Ų40.66%0.05621%0.205CC..  trans-150.6141.8-177.8173.60000109.9Y74 I75S72-Y74 PolarHBondContact O-N 2.93Å; S72-Y74 VanDerWaalsContact O-N 3.15Å; S72-Y74 PolarHBondContact OG-N 3.2Å; S72-I75 PolarHBondContact O-N 3.07Å; S72-I75 VanDerWaalsContact O-O 3.12Å
73P97.5Very high91.3Very high81 Ų8139.9 Ų39.953%0.52620%0.204SC..THydrogen-bonded Turntrans-66.5-12.3175.429.1-35.4000113.1K152P73-K152 VanDerWaalsContact O-CD 3.31Å; P73-K152 WeakPolarHBondContact O-CD 3.16Å; P73-K152 WeakPolarHBondContact O-CE 3.5Å; P73-K152 WeakPolarHBondContact O-CG 3.46Å
74Y97.9Very high91.7Very high61 Ų6142.1 Ų42.124%0.23921%0.214CC..THydrogen-bonded Turntrans-99.81.1-178.3-49.3-63.7000113.4S72 E120 K123 K152 L153S72-Y74 PolarHBondContact O-N 2.93Å; S72-Y74 VanDerWaalsContact O-N 3.15Å; S72-Y74 PolarHBondContact OG-N 3.2Å; Y74-E120 VanDerWaalsContact CE1-OE2 3.26Å; Y74-E120 WeakPolarHBondContact CE1-OE2 3.34Å; Y74-K123 HydrophobicContact CD1-CB 4.07Å; Y74-K123 HydrophobicContact CD1-CD 4.21Å; Y74-K123 HydrophobicContact CD2-CB 3.65Å; Y74-K123 HydrophobicContact CD2-CD 4.49Å; Y74-K123 HydrophobicContact CE1-CB 4.1Å; Y74-K123 HydrophobicContact CE1-CD 3.48Å; Y74-K123 VanDerWaalsContact CE1-CD 3.48Å; Y74-K123 HydrophobicContact CE2-CB 3.67Å; Y74-K123 HydrophobicContact CE2-CD 3.81Å; Y74-K123 HydrophobicContact CE2-CG 4.37Å; Y74-K123 HydrophobicContact CG-CB 3.87Å; Y74-K123 VanDerWaalsContact OH-CD 3.27Å; Y74-K123 WeakPolarHBondContact OH-CD 3.26Å; Y74-K123 PolarHBondContact OH-NZ 2.9Å; Y74-K152 CarbonylContact O-C 3.6Å; Y74-K152 VanDerWaalsContact O-CA 3.31Å; Y74-K152 WeakPolarHBondContact O-CA 3.49Å; Y74-L153 PolarHBondContact O-N 3.19Å
75I96.2Very high91.9Very high2 Ų245.6 Ų45.61%0.0125%0.249CC..BIsolated β-bridgetrans-121.7141.4177.6-54.4-58000107.9L67 C70 S72 K77 Y127 L128 L153 F156L67-I75 HydrophobicContact CD1-CG2 4.29Å; C70-I75 HydrophobicContact CB-CB 4.47Å; C70-I75 HydrophobicContact CB-CG2 3.92Å; S72-I75 PolarHBondContact O-N 3.07Å; S72-I75 VanDerWaalsContact O-O 3.12Å; I75-K77 PolarHBondContact O-N 3.44Å; I75-Y127 HydrophobicContact CG1-CD1 3.91Å; I75-Y127 HydrophobicContact CG1-CE1 4.15Å; I75-L128 HydrophobicContact CD1-CD1 3.81Å; I75-L128 HydrophobicContact CD1-CD2 4.1Å; I75-L128 HydrophobicContact CD1-CG 3.89Å; I75-L128 HydrophobicContact CG1-CD2 4.36Å; I75-L153 HydrophobicContact CD1-CB 3.94Å; I75-L153 HydrophobicContact CD1-CD1 4.17Å; I75-F156 HydrophobicContact CD1-CZ 4.17Å; I75-F156 HydrophobicContact CG2-CE2 3.53Å; I75-F156 HydrophobicContact CG2-CZ 3.49Å; I75-F156 VanDerWaalsContact CG2-CZ 3.49Å
76T94.2Very high92.1Very high5 Ų545.7 Ų45.73%0.03125%0.251CS..PPolyproline II helixtrans-58.4132.1174.447.30000111.2L95 L144 K152 L153 A154T76-L95 HydrophobicContact CG2-CD1 3.69Å; T76-L144 HydrophobicContact CG2-CD1 4.3Å; T76-K152 HydrophobicContact CG2-CB 4.44Å; T76-L153 PolarHBondContact N-O 3.19Å; T76-L153 PolarHBondContact OG1-O 2.87Å; T76-A154 HydrophobicContact CG2-CB 3.62Å
77K94.3Very high92.5Very high89 Ų8949.2 Ų49.239%0.38727%0.265SS..PPolyproline II helixtrans-74.4136.5177.6-62.9-174.2172.1-169.50111.3I75 F79 M92 E93I75-K77 PolarHBondContact O-N 3.44Å; K77-F79 HydrophobicContact CB-CE1 3.89Å; K77-F79 HydrophobicContact CB-CZ 4.25Å; K77-F79 HydrophobicContact CD-CE1 4.44Å; K77-M92 CarbonylContact O-C 3.53Å; K77-M92 VanDerWaalsContact O-CA 3.27Å; K77-M92 WeakPolarHBondContact O-CA 3.41Å; K77-E93 HydrophobicContact CB-CB 4.05Å; K77-E93 PolarHBondContact N-OE2 3.47Å; K77-E93 PolarHBondContact O-N 3.03Å
78Y93.6Very high92.8Very high35 Ų3549 Ų4914%0.13726%0.264CS..EExtended strand (participates in β ladder)trans-93.4134166.9168.2-106000110.5P4 I64 L67 G80 S81 I90P4-Y78 PolarHBondContact O-OH 3.46Å; I64-Y78 HydrophobicContact CG2-CE1 4.44Å; I64-Y78 HydrophobicContact CG2-CE2 3.94Å; L67-Y78 HydrophobicContact CD2-CD2 4.2Å; L67-Y78 HydrophobicContact CD2-CG 4.35Å; L67-Y78 HydrophobicContact CG-CG 4.49Å; Y78-G80 WeakPolarHBondContact CE2-O 3.41Å; Y78-G80 VanDerWaalsContact CZ-C 3.42Å; Y78-G80 VanDerWaalsContact OH-C 3.3Å; Y78-G80 WeakPolarHBondContact OH-CA 3.32Å; Y78-S81 WeakPolarHBondContact CE2-OG 3.47Å; Y78-S81 WeakPolarHBondContact OH-CB 3.21Å; Y78-S81 PolarHBondContact OH-N 3.2Å; Y78-S81 VanDerWaalsContact OH-N 3.08Å; Y78-S81 PolarHBondContact OH-OG 3.44Å; Y78-I90 HydrophobicContact CD2-CG2 3.94Å; Y78-I90 HydrophobicContact CE2-CG2 3.9Å
79F93.9Very high93.1Very high110 Ų11047.3 Ų47.348%0.48225%0.251SS..EExtended strand (participates in β ladder)trans-107.7-24.4179.5-61.2-40.4000113.3V43 K77 I91 E93V43-F79 HydrophobicContact CG1-CD2 4.12Å; V43-F79 HydrophobicContact CG1-CE2 4.13Å; K77-F79 HydrophobicContact CB-CE1 3.89Å; K77-F79 HydrophobicContact CB-CZ 4.25Å; K77-F79 HydrophobicContact CD-CE1 4.44Å; F79-I91 HydrophobicContact CB-CB 4.28Å; F79-I91 HydrophobicContact CB-CG2 4.15Å; F79-I91 HydrophobicContact CD2-CG2 4.17Å; F79-I91 PolarHBondContact N-O 3.45Å; F79-E93 HydrophobicContact CE2-CB 4.38Å; F79-E93 HydrophobicContact CZ-CB 4.24Å
80G93Very high93.3Very high1 Ų142.3 Ų42.31%0.0123%0.228CC..EExtended strand (participates in β ladder)trans153.9170.7178.500000113Y78 I91Y78-G80 WeakPolarHBondContact CE2-O 3.41Å; Y78-G80 VanDerWaalsContact CZ-C 3.42Å; Y78-G80 VanDerWaalsContact OH-C 3.3Å; Y78-G80 WeakPolarHBondContact OH-CA 3.32Å; G80-I91 PolarHBondContact O-N 2.82Å
81S93.3Very high93.5Very high0 Ų041.5 Ų41.50%022%0.222CC..EExtended strand (participates in β ladder)trans-126.3146.4175.7-75.80000111.6G5 M6 Q7 Y78 W89G5-S81 PolarHBondContact O-N 3.23Å; M6-S81 WeakPolarHBondContact CA-O 3.5Å; Q7-S81 PolarHBondContact N-O 2.74Å; Y78-S81 WeakPolarHBondContact CE2-OG 3.47Å; Y78-S81 WeakPolarHBondContact OH-CB 3.21Å; Y78-S81 PolarHBondContact OH-N 3.2Å; Y78-S81 VanDerWaalsContact OH-N 3.08Å; Y78-S81 PolarHBondContact OH-OG 3.44Å; S81-W89 CarbonylContact C-O 3.25Å; S81-W89 WeakPolarHBondContact CA-O 3.38Å
82Y93.9Very high93.5Very high16 Ų1636.1 Ų36.16%0.06319%0.193CC..EExtended strand (participates in β ladder)trans-136.3142.1-177.2-59-98.8000109.8Q7 P13 L16 F17 W89 I91Q7-Y82 HydrophobicContact CB-CD1 3.69Å; Q7-Y82 HydrophobicContact CB-CE1 3.47Å; Q7-Y82 VanDerWaalsContact CB-CE1 3.47Å; Q7-Y82 HydrophobicContact CG-CD1 4.01Å; Q7-Y82 HydrophobicContact CG-CE1 3.37Å; Q7-Y82 HydrophobicContact CG-CE2 4.27Å; P13-Y82 HydrophobicContact CB-CD1 4.3Å; P13-Y82 HydrophobicContact CB-CG 3.96Å; L16-Y82 HydrophobicContact CD1-CD1 4.31Å; L16-Y82 HydrophobicContact CD1-CE1 3.41Å; L16-Y82 VanDerWaalsContact CD1-CE1 3.41Å; F17-Y82 HydrophobicContact CE2-CD2 4.19Å; F17-Y82 HydrophobicContact CE2-CE1 4.46Å; F17-Y82 AromaticContact CE2-CE2 3.55Å; F17-Y82 HydrophobicContact CE2-CE2 3.55Å; F17-Y82 AromaticContact CE2-CZ 3.69Å; F17-Y82 HydrophobicContact CZ-CE2 4.1Å; Y82-W89 PolarHBondContact N-O 3.17Å; Y82-W89 PolarHBondContact O-N 2.99Å; Y82-I91 HydrophobicContact CD2-CD1 4.33Å; Y82-I91 HydrophobicContact CD2-CG1 3.71Å; Y82-I91 HydrophobicContact CE2-CG1 3.6Å
83L91.9Very high93.5Very high72 Ų7237.7 Ų37.738%0.37720%0.2SC..EExtended strand (participates in β ladder)trans-105126.4176.1-172.568.2000109.8M6 L50M6-L83 HydrophobicContact SD-CB 4.43Å; L50-L83 HydrophobicContact CD1-CD1 3.67Å
84K88.4Confident93.4Very high56 Ų5636.7 Ų36.724%0.24319%0.186CC..EExtended strand (participates in β ladder)trans-129.5104.5173.9-178.2164-174.6141.90110D12 P13 E14 S86 K87D12-K84 WeakPolarHBondContact OD1-CD 3.31Å; D12-K84 IonicContact OD1-NZ 2.73Å; D12-K84 PolarHBondContact OD1-NZ 3.34Å; D12-K84 IonicContact OD2-NZ 2.75Å; D12-K84 PolarHBondContact OD2-NZ 2.78Å; P13-K84 HydrophobicContact CG-CB 3.85Å; P13-K84 HydrophobicContact CG-CD 4.09Å; E14-K84 HydrophobicContact CG-CD 4.3Å; E14-K84 WeakPolarHBondContact OE1-CE 3.45Å; E14-K84 IonicContact OE1-NZ 3.33Å; E14-K84 PolarHBondContact OE1-NZ 3.05Å; E14-K84 IonicContact OE2-NZ 2.69Å; E14-K84 PolarHBondContact OE2-NZ 3.48Å; K84-S86 PolarHBondContact O-N 3.41Å; K84-K87 PolarHBondContact N-O 3.15Å; K84-K87 PolarHBondContact O-N 3.26Å
85G89.3Confident93.3Very high73 Ų7334.4 Ų34.475%0.75318%0.178SC*.THydrogen-bonded Turntrans60.1-125.3-171.200000110.6K87G85-K87 VanDerWaalsContact C-N 3.34Å
86S89.9Confident93.3Very high33 Ų3335.4 Ų35.423%0.23119%0.189CC..THydrogen-bonded Turntrans-82.1-7.4172.962.40000113.9D49 L50 K84D49-S86 PolarHBondContact OD1-OG 3.34Å; L50-S86 VanDerWaalsContact CB-O 3.26Å; L50-S86 WeakPolarHBondContact CB-O 3.4Å; L50-S86 WeakPolarHBondContact CG-O 3.49Å; L50-S86 PolarHBondContact N-O 3.07Å; K84-S86 PolarHBondContact O-N 3.41Å
87K91.6Very high93.3Very high91 Ų9135.3 Ų35.340%0.39619%0.188SC..EExtended strand (participates in β ladder)trans-97.4124.8-170.2-60.6-168.1177.7-164.50112.1T47 I48 K84 G85T47-K87 HydrophobicContact CG2-CB 3.93Å; T47-K87 HydrophobicContact CG2-CD 3.85Å; T47-K87 HydrophobicContact CG2-CG 4.32Å; I48-K87 CarbonylContact O-C 3.57Å; I48-K87 VanDerWaalsContact O-CA 3.31Å; I48-K87 WeakPolarHBondContact O-CA 3.3Å; K84-K87 PolarHBondContact N-O 3.15Å; K84-K87 PolarHBondContact O-N 3.26Å; G85-K87 VanDerWaalsContact C-N 3.34Å
88L92.3Very high93.4Very high0 Ų032 Ų320%018%0.179CC..EExtended strand (participates in β ladder)trans-88.9123.4169.9-176.964.2000109.7M1 M6 T47 I48 L50 I60 I64 I90M1-L88 HydrophobicContact SD-CD2 4.39Å; M6-L88 HydrophobicContact CE-CD1 3.73Å; M6-L88 HydrophobicContact SD-CD1 4.35Å; T47-L88 CarbonylContact C-O 3.37Å; T47-L88 WeakPolarHBondContact CA-O 3.38Å; I48-L88 HydrophobicContact CB-CB 4.42Å; I48-L88 PolarHBondContact N-O 3.33Å; I48-L88 PolarHBondContact O-N 3.35Å; L50-L88 HydrophobicContact CD1-CB 4.17Å; L50-L88 HydrophobicContact CD2-CB 3.99Å; L50-L88 HydrophobicContact CD2-CD2 4.25Å; L50-L88 HydrophobicContact CG-CB 4.05Å; I60-L88 HydrophobicContact CG2-CD2 3.78Å; I64-L88 HydrophobicContact CD1-CD2 3.69Å; L88-I90 HydrophobicContact CD2-CG1 4.42Å; L88-I90 HydrophobicContact CG-CG1 4.28Å
89W94.2Very high93.5Very high8 Ų830.8 Ų30.83%0.0318%0.176CC..EExtended strand (participates in β ladder)trans-101124.8173.2-71.140.4000108.6P13 E14 F17 K19 I45 K46 S81 Y82 I91P13-W89 HydrophobicContact CB-CD2 4.1Å; P13-W89 HydrophobicContact CB-CE3 3.8Å; P13-W89 HydrophobicContact CB-CZ3 4.2Å; P13-W89 HydrophobicContact CG-CD2 4.08Å; P13-W89 HydrophobicContact CG-CE3 4.25Å; P13-W89 HydrophobicContact CG-CG 4.35Å; E14-W89 HydrophobicContact CG-CH2 3.72Å; E14-W89 HydrophobicContact CG-CZ2 4.16Å; F17-W89 HydrophobicContact CB-CZ3 4.49Å; K19-W89 HydrophobicContact CB-CH2 4.12Å; K19-W89 HydrophobicContact CD-CH2 3.98Å; K19-W89 HydrophobicContact CD-CZ2 4.19Å; I45-W89 HydrophobicContact CD1-CE3 4.23Å; I45-W89 HydrophobicContact CD1-CZ3 3.97Å; I45-W89 HydrophobicContact CG2-CB 4.39Å; I45-W89 HydrophobicContact CG2-CD2 3.84Å; I45-W89 HydrophobicContact CG2-CE3 3.43Å; I45-W89 VanDerWaalsContact CG2-CE3 3.43Å; I45-W89 HydrophobicContact CG2-CG 4.28Å; I45-W89 HydrophobicContact CG2-CZ3 4.01Å; K46-W89 CarbonylContact O-C 3.51Å; K46-W89 WeakPolarHBondContact O-CA 3.48Å; S81-W89 CarbonylContact C-O 3.25Å; S81-W89 WeakPolarHBondContact CA-O 3.38Å; Y82-W89 PolarHBondContact N-O 3.17Å; Y82-W89 PolarHBondContact O-N 2.99Å; W89-I91 HydrophobicContact CB-CD1 4.34Å; W89-I91 HydrophobicContact CE3-CD1 4.35Å
90I92.8Very high93.7Very high2 Ų225.5 Ų25.51%0.0115%0.153CC..EExtended strand (participates in β ladder)trans-111.5115.5174.3-52.8171.7000106.9K46 I48 I64 Y78 L88 M92K46-I90 HydrophobicContact CB-CB 4.26Å; K46-I90 HydrophobicContact CD-CD1 4.46Å; K46-I90 PolarHBondContact N-O 3.27Å; K46-I90 PolarHBondContact O-N 2.98Å; I48-I90 HydrophobicContact CD1-CD1 3.73Å; I64-I90 HydrophobicContact CD1-CD1 3.72Å; I64-I90 HydrophobicContact CD1-CG1 3.99Å; I64-I90 HydrophobicContact CG1-CD1 3.8Å; I64-I90 HydrophobicContact CG1-CG1 4.3Å; Y78-I90 HydrophobicContact CD2-CG2 3.94Å; Y78-I90 HydrophobicContact CE2-CG2 3.9Å; L88-I90 HydrophobicContact CD2-CG1 4.42Å; L88-I90 HydrophobicContact CG-CG1 4.28Å; I90-M92 HydrophobicContact CG2-CG 3.94Å; I90-M92 HydrophobicContact CG2-SD 4.15Å
91I95.2Very high93.8Very high0 Ų028.6 Ų28.60%017%0.169CC..EExtended strand (participates in β ladder)trans-95.1123.8-177.1-45.6-57.3000108.8F17 V43 I45 F79 G80 Y82 W89F17-I91 HydrophobicContact CD1-CG2 4.34Å; F17-I91 HydrophobicContact CD2-CD1 4.07Å; F17-I91 HydrophobicContact CD2-CG1 4.36Å; F17-I91 HydrophobicContact CE1-CG1 4.42Å; F17-I91 HydrophobicContact CE1-CG2 3.72Å; F17-I91 HydrophobicContact CE2-CD1 4.09Å; F17-I91 HydrophobicContact CE2-CG1 3.86Å; F17-I91 HydrophobicContact CG-CD1 4.36Å; F17-I91 HydrophobicContact CZ-CB 4.4Å; F17-I91 HydrophobicContact CZ-CD1 4.38Å; F17-I91 HydrophobicContact CZ-CG1 3.9Å; F17-I91 HydrophobicContact CZ-CG2 3.89Å; V43-I91 HydrophobicContact CB-CG2 3.99Å; V43-I91 HydrophobicContact CG1-CG2 4.16Å; V43-I91 HydrophobicContact CG2-CG2 4.11Å; I45-I91 HydrophobicContact CB-CD1 4.42Å; I45-I91 HydrophobicContact CD1-CD1 4.47Å; I45-I91 HydrophobicContact CG1-CD1 3.98Å; I45-I91 HydrophobicContact CG2-CD1 4.02Å; F79-I91 HydrophobicContact CB-CB 4.28Å; F79-I91 HydrophobicContact CB-CG2 4.15Å; F79-I91 HydrophobicContact CD2-CG2 4.17Å; F79-I91 PolarHBondContact N-O 3.45Å; G80-I91 PolarHBondContact O-N 2.82Å; Y82-I91 HydrophobicContact CD2-CD1 4.33Å; Y82-I91 HydrophobicContact CD2-CG1 3.71Å; Y82-I91 HydrophobicContact CE2-CG1 3.6Å; W89-I91 HydrophobicContact CB-CD1 4.34Å; W89-I91 HydrophobicContact CE3-CD1 4.35Å
92M94.3Very high93.9Very high16 Ų1630.5 Ų30.58%0.07918%0.179CC..EExtended strand (participates in β ladder)trans-134.5165.4-173.4-55.8-178.5-64.100111.5A44 K46 L67 K77 I90 Y94A44-M92 HydrophobicContact CB-CB 4.42Å; A44-M92 PolarHBondContact N-O 3.49Å; A44-M92 PolarHBondContact O-N 3.27Å; K46-M92 HydrophobicContact CB-CE 3.8Å; K46-M92 HydrophobicContact CD-CE 4.19Å; L67-M92 HydrophobicContact CD2-CG 4.44Å; L67-M92 HydrophobicContact CD2-SD 4.03Å; K77-M92 CarbonylContact O-C 3.53Å; K77-M92 VanDerWaalsContact O-CA 3.27Å; K77-M92 WeakPolarHBondContact O-CA 3.41Å; I90-M92 HydrophobicContact CG2-CG 3.94Å; I90-M92 HydrophobicContact CG2-SD 4.15Å; M92-Y94 PolarHBondContact O-N 3.47Å
93E95.1Very high94.1Very high40 Ų4029.8 Ų29.819%0.18718%0.176CC..EExtended strand (participates in β ladder)trans-57.3131.7169-176.9174.2-153.500111.4K77 F79 K152K77-E93 HydrophobicContact CB-CB 4.05Å; K77-E93 PolarHBondContact N-OE2 3.47Å; K77-E93 PolarHBondContact O-N 3.03Å; F79-E93 HydrophobicContact CE2-CB 4.38Å; F79-E93 HydrophobicContact CZ-CB 4.24Å; E93-K152 IonicContact OE1-NZ 2.75Å; E93-K152 PolarHBondContact OE1-NZ 2.82Å; E93-K152 IonicContact OE2-NZ 2.75Å; E93-K152 PolarHBondContact OE2-NZ 3.37Å
94Y96.3Very high94.3Very high60 Ų6027.3 Ų27.324%0.23516%0.163CC..  trans-87.4130.2172.5179.8-107.3000111I23 K33 V42 A44 M92 G96I23-Y94 HydrophobicContact CD1-CD2 4.02Å; I23-Y94 HydrophobicContact CD1-CE2 3.72Å; K33-Y94 HydrophobicContact CD-CE2 4.37Å; K33-Y94 HydrophobicContact CG-CD2 4.48Å; K33-Y94 HydrophobicContact CG-CE2 4.14Å; V42-Y94 HydrophobicContact CB-CD1 4.11Å; V42-Y94 HydrophobicContact CB-CG 4.47Å; V42-Y94 HydrophobicContact CG1-CD1 3.42Å; V42-Y94 VanDerWaalsContact CG1-CD1 3.42Å; V42-Y94 HydrophobicContact CG1-CD2 4.3Å; V42-Y94 HydrophobicContact CG1-CE1 3.93Å; V42-Y94 HydrophobicContact CG1-CG 3.62Å; A44-Y94 HydrophobicContact CB-CD2 4.48Å; M92-Y94 PolarHBondContact O-N 3.47Å; Y94-G96 VanDerWaalsContact CE1-CA 3.42Å
95L96.3Very high94.6Very high14 Ų1428.4 Ų28.47%0.07317%0.168CC..  trans-117.293.4178.4-71.3170.8000109.2T76 G97 G98 L144 L145 K152T76-L95 HydrophobicContact CG2-CD1 3.69Å; L95-G97 PolarHBondContact O-N 2.87Å; L95-G98 PolarHBondContact O-N 2.93Å; L95-L144 HydrophobicContact CB-CB 4.02Å; L95-L144 HydrophobicContact CD1-CB 3.37Å; L95-L144 HydrophobicContact CD1-CD1 4.08Å; L95-L144 HydrophobicContact CD1-CG 4.36Å; L95-L144 HydrophobicContact CG-CB 4.34Å; L95-L145 CarbonylContact C-O 3.57Å; L95-L145 VanDerWaalsContact C-O 3.25Å; L95-L145 WeakPolarHBondContact CB-O 3.25Å; L95-K152 HydrophobicContact CD1-CB 3.85Å; L95-K152 HydrophobicContact CD1-CD 4.15Å; L95-K152 HydrophobicContact CD1-CG 4.11Å; L95-K152 HydrophobicContact CD2-CD 4.19Å; L95-K152 HydrophobicContact CD2-CG 4.4Å
96G94.9Very high94.9Very high23 Ų2325.8 Ų25.824%0.23714%0.139CC..THydrogen-bonded Turntrans-72.4-3.6-169.100000116.5Y94 G98Y94-G96 VanDerWaalsContact CE1-CA 3.42Å; G96-G98 VanDerWaalsContact C-N 3.31Å
97G95.3Very high95.1Very high2 Ų225.3 Ų25.32%0.02114%0.139CC..THydrogen-bonded Turntrans-79.7-11.4174.200000113.9L95 L145L95-G97 PolarHBondContact O-N 2.87Å; G97-L145 WeakPolarHBondContact CA-O 3.41Å; G97-L145 PolarHBondContact N-O 3.32Å
98G94.8Very high95.4Very high19 Ų1926 Ų2620%0.19615%0.153CC..EExtended strand (participates in β ladder)trans81.4-174.8-176.100000113.1L95 G96 L145L95-G98 PolarHBondContact O-N 2.93Å; G96-G98 VanDerWaalsContact C-N 3.31Å; G98-L145 PolarHBondContact O-N 3.28Å
99S96.4Very high95.7Very high10 Ų1026.7 Ų26.77%0.0716%0.156CC..EExtended strand (participates in β ladder)trans-81.3158.9174.770.70000111.8L101 D102 L103 A141 V143S99-L101 PolarHBondContact O-N 3.27Å; S99-L101 PolarHBondContact OG-N 3.06Å; S99-D102 WeakPolarHBondContact CB-OD2 3.46Å; S99-D102 PolarHBondContact N-OD2 2.9Å; S99-D102 WeakPolarHBondContact O-CB 3.46Å; S99-D102 PolarHBondContact O-N 3.23Å; S99-D102 PolarHBondContact OG-N 2.92Å; S99-D102 PolarHBondContact OG-OD2 2.62Å; S99-L103 WeakPolarHBondContact O-CG 3.39Å; S99-L103 PolarHBondContact O-N 2.95Å; S99-L103 VanDerWaalsContact O-N 3.09Å; S99-A141 WeakPolarHBondContact CB-O 3.46Å; S99-V143 CarbonylContact C-O 3.6Å; S99-V143 VanDerWaalsContact CA-O 3.3Å; S99-V143 WeakPolarHBondContact CA-O 3.3Å
100A98Very high95.8Very high0 Ų029.2 Ų29.20%017%0.17CC..Hα-helixtrans-60.4-29.6171.700000111.6L103 L104 F109 M117 A140 V143 L145 L205A100-L103 PolarHBondContact O-N 3.01Å; A100-L104 PolarHBondContact O-N 2.9Å; A100-F109 WeakPolarHBondContact O-CZ 3.35Å; A100-M117 HydrophobicContact CB-SD 4.08Å; A100-A140 HydrophobicContact CB-CB 4.14Å; A100-A140 PolarHBondContact N-O 3.01Å; A100-V143 HydrophobicContact CB-CB 4.06Å; A100-V143 HydrophobicContact CB-CG1 4.09Å; A100-V143 PolarHBondContact N-O 3.28Å; A100-L145 HydrophobicContact CB-CD1 4.24Å; A100-L205 HydrophobicContact CB-CD2 3.82Å
101L96.1Very high96.1Very high66 Ų6630.7 Ų30.735%0.34618%0.177SC..Hα-helixtrans-65.8-40.8172.2-176.663.3000112.3S99 L103 L104 A140 A141S99-L101 PolarHBondContact O-N 3.27Å; S99-L101 PolarHBondContact OG-N 3.06Å; L101-L103 VanDerWaalsContact C-N 3.35Å; L101-L104 HydrophobicContact CD1-CD1 4.37Å; L101-L104 WeakPolarHBondContact O-CB 3.42Å; L101-L104 PolarHBondContact O-N 3.38Å; L101-A140 HydrophobicContact CB-CB 4.09Å; L101-A140 PolarHBondContact N-O 2.85Å; L101-A141 HydrophobicContact CB-CB 4.37Å; L101-A141 HydrophobicContact CD2-CB 3.9Å
102D95.2Very high96.2Very high40 Ų4031.4 Ų31.421%0.21418%0.183CC..Hα-helixtrans-63.1-43.8175.3-64.8-51.5000111.3S99 L104 K105 Y284S99-D102 WeakPolarHBondContact CB-OD2 3.46Å; S99-D102 PolarHBondContact N-OD2 2.9Å; S99-D102 WeakPolarHBondContact O-CB 3.46Å; S99-D102 PolarHBondContact O-N 3.23Å; S99-D102 PolarHBondContact OG-N 2.92Å; S99-D102 PolarHBondContact OG-OD2 2.62Å; D102-L104 PolarHBondContact O-N 3.14Å; D102-K105 VanDerWaalsContact O-CB 3.25Å; D102-K105 WeakPolarHBondContact O-CB 3.35Å; D102-K105 WeakPolarHBondContact O-CG 3.44Å; D102-K105 PolarHBondContact O-N 2.83Å; D102-K105 IonicContact OD1-NZ 3.23Å; D102-K105 PolarHBondContact OD1-NZ 3.08Å; D102-Y284 HydrophobicContact CB-CE1 4.11Å; D102-Y284 HydrophobicContact CB-CE2 4.28Å; D102-Y284 WeakPolarHBondContact O-CD2 3.4Å; D102-Y284 WeakPolarHBondContact O-CE2 3.36Å
103L97Very high96.4Very high0 Ų031.2 Ų31.20%018%0.182CC..Hα-helixtrans-63-25.7179.6-66.7176.2000113.1S99 A100 L101 K105 F109 L145 L280 I281 Y284S99-L103 WeakPolarHBondContact O-CG 3.39Å; S99-L103 PolarHBondContact O-N 2.95Å; S99-L103 VanDerWaalsContact O-N 3.09Å; A100-L103 PolarHBondContact O-N 3.01Å; L101-L103 VanDerWaalsContact C-N 3.35Å; L103-K105 VanDerWaalsContact C-N 3.3Å; L103-F109 HydrophobicContact CB-CE1 3.92Å; L103-F109 HydrophobicContact CB-CZ 3.64Å; L103-L145 HydrophobicContact CD1-CD1 3.6Å; L103-L145 HydrophobicContact CD1-CD2 3.74Å; L103-L145 HydrophobicContact CD1-CG 4.17Å; L103-L280 HydrophobicContact CD1-CB 4.4Å; L103-L280 HydrophobicContact CD2-CB 4.49Å; L103-I281 HydrophobicContact CD1-CG1 4.49Å; L103-I281 HydrophobicContact CD2-CG1 4.27Å; L103-Y284 HydrophobicContact CD2-CD1 4.1Å; L103-Y284 HydrophobicContact CD2-CG 3.99Å
104L96.4Very high96.6Very high20 Ų2029.3 Ų29.311%0.10517%0.173CC..Hα-helixtrans-67.8-27.4174.2-79.2166.3000112.6A100 L101 D102 A106 G107 F109A100-L104 PolarHBondContact O-N 2.9Å; L101-L104 HydrophobicContact CD1-CD1 4.37Å; L101-L104 WeakPolarHBondContact O-CB 3.42Å; L101-L104 PolarHBondContact O-N 3.38Å; D102-L104 PolarHBondContact O-N 3.14Å; L104-A106 PolarHBondContact O-N 3.32Å; L104-G107 CarbonylContact O-C 3.48Å; L104-G107 PolarHBondContact O-N 3.3Å; L104-F109 HydrophobicContact CB-CZ 4.32Å; L104-F109 HydrophobicContact CD1-CE2 4.26Å; L104-F109 HydrophobicContact CD2-CD1 4.45Å; L104-F109 HydrophobicContact CD2-CD2 3.59Å; L104-F109 HydrophobicContact CD2-CE1 4.26Å; L104-F109 HydrophobicContact CD2-CE2 3.38Å; L104-F109 HydrophobicContact CD2-CG 4.14Å; L104-F109 HydrophobicContact CD2-CZ 3.74Å; L104-F109 HydrophobicContact CG-CD2 4.17Å; L104-F109 HydrophobicContact CG-CE1 4.45Å; L104-F109 HydrophobicContact CG-CE2 3.43Å; L104-F109 VanDerWaalsContact CG-CE2 3.43Å; L104-F109 HydrophobicContact CG-CZ 3.59Å
105K94.7Very high96.7Very high80 Ų8026.5 Ų26.535%0.34816%0.162SC..Hα-helixtrans-59.7-32.9178.5-61.5175.7-179171.50112.1D102 L103 G107 Y284 W287 D294D102-K105 VanDerWaalsContact O-CB 3.25Å; D102-K105 WeakPolarHBondContact O-CB 3.35Å; D102-K105 WeakPolarHBondContact O-CG 3.44Å; D102-K105 PolarHBondContact O-N 2.83Å; D102-K105 IonicContact OD1-NZ 3.23Å; D102-K105 PolarHBondContact OD1-NZ 3.08Å; L103-K105 VanDerWaalsContact C-N 3.3Å; K105-G107 PolarHBondContact O-N 2.93Å; K105-Y284 HydrophobicContact CB-CE2 4.49Å; K105-Y284 HydrophobicContact CD-CE2 4.44Å; K105-W287 HydrophobicContact CB-CE3 4.5Å; K105-W287 HydrophobicContact CB-CH2 3.86Å; K105-W287 HydrophobicContact CB-CZ2 4.14Å; K105-W287 HydrophobicContact CB-CZ3 4.05Å; K105-W287 HydrophobicContact CD-CH2 4.15Å; K105-W287 HydrophobicContact CD-CZ3 4.24Å; K105-D294 VanDerWaalsContact NZ-CG 3.28Å; K105-D294 IonicContact NZ-OD1 2.81Å; K105-D294 PolarHBondContact NZ-OD1 3.49Å; K105-D294 IonicContact NZ-OD2 2.78Å; K105-D294 PolarHBondContact NZ-OD2 3.04Å; K105-D294 VanDerWaalsContact NZ-OD2 3.11Å
106A95.2Very high96.8Very high18 Ų1825.8 Ų25.815%0.14916%0.158CC..THydrogen-bonded Turntrans-83.29.4177.400000113.8L104 R283 Y284 W287L104-A106 PolarHBondContact O-N 3.32Å; A106-R283 HydrophobicContact CB-CG 4.19Å; A106-R283 PolarHBondContact O-NE 3.29Å; A106-Y284 HydrophobicContact CB-CD2 4.2Å; A106-W287 HydrophobicContact CB-CB 3.84Å; A106-W287 HydrophobicContact CB-CD2 4.44Å; A106-W287 HydrophobicContact CB-CG 3.96Å
107G95.6Very high97Very high22 Ų2224.7 Ų24.723%0.22715%0.147CC..  trans120.5170.4173.200000114.1L104 K105 R283L104-G107 CarbonylContact O-C 3.48Å; L104-G107 PolarHBondContact O-N 3.3Å; K105-G107 PolarHBondContact O-N 2.93Å; G107-R283 PolarHBondContact O-NH2 3.15Å
108P96.9Very high97.2Very high106 Ų10624.6 Ų24.669%0.68815%0.146SC*.PPolyproline II helixtrans-64.5159.4-176.427.8-35.3000112.4R283P108-R283 PolarHBondContact O-NH1 3.16Å; P108-R283 PolarHBondContact O-NH2 3.1Å
109F98.1Very high97.4Very high15 Ų1526.5 Ų26.57%0.06615%0.149CC..PPolyproline II helixtrans-95.9149.1174.4-57.8-35.1000111.9A100 L103 L104 Q113 I114 M117 L205 L280A100-F109 WeakPolarHBondContact O-CZ 3.35Å; L103-F109 HydrophobicContact CB-CE1 3.92Å; L103-F109 HydrophobicContact CB-CZ 3.64Å; L104-F109 HydrophobicContact CB-CZ 4.32Å; L104-F109 HydrophobicContact CD1-CE2 4.26Å; L104-F109 HydrophobicContact CD2-CD1 4.45Å; L104-F109 HydrophobicContact CD2-CD2 3.59Å; L104-F109 HydrophobicContact CD2-CE1 4.26Å; L104-F109 HydrophobicContact CD2-CE2 3.38Å; L104-F109 HydrophobicContact CD2-CG 4.14Å; L104-F109 HydrophobicContact CD2-CZ 3.74Å; L104-F109 HydrophobicContact CG-CD2 4.17Å; L104-F109 HydrophobicContact CG-CE1 4.45Å; L104-F109 HydrophobicContact CG-CE2 3.43Å; L104-F109 VanDerWaalsContact CG-CE2 3.43Å; L104-F109 HydrophobicContact CG-CZ 3.59Å; F109-Q113 VanDerWaalsContact CA-OE1 3.28Å; F109-Q113 HydrophobicContact CB-CB 4.19Å; F109-I114 HydrophobicContact CB-CD1 4.15Å; F109-I114 HydrophobicContact CB-CG1 3.71Å; F109-I114 HydrophobicContact CD2-CG1 4.38Å; F109-M117 HydrophobicContact CD2-CE 3.55Å; F109-M117 HydrophobicContact CE2-CE 3.66Å; F109-M117 HydrophobicContact CG-CE 4.16Å; F109-M117 HydrophobicContact CZ-CE 4.38Å; F109-L205 HydrophobicContact CD2-CB 4.4Å; F109-L205 HydrophobicContact CD2-CD2 4.18Å; F109-L205 WeakPolarHBondContact CD2-O 3.37Å; F109-L205 HydrophobicContact CE2-CD2 3.8Å; F109-L280 HydrophobicContact CD1-CD1 3.66Å; F109-L280 HydrophobicContact CD1-CD2 3.65Å; F109-L280 HydrophobicContact CD1-CG 4.32Å; F109-L280 HydrophobicContact CE1-CD1 3.69Å; F109-L280 HydrophobicContact CE1-CD2 3.83Å; F109-L280 HydrophobicContact CE1-CG 4.33Å; F109-L280 HydrophobicContact CG-CD1 4.4Å; F109-L280 HydrophobicContact CZ-CD1 4.42Å
110D97.6Very high97.5Very high60 Ų6026.9 Ų26.932%0.32115%0.149SC..PPolyproline II helixtrans-79.2161166.576.538.2000111.2A112 Q113 I114 Y276D110-A112 PolarHBondContact O-N 2.84Å; D110-A112 VanDerWaalsContact OD1-CA 3.29Å; D110-A112 WeakPolarHBondContact OD1-CA 3.28Å; D110-A112 VanDerWaalsContact OD1-CB 3.29Å; D110-A112 WeakPolarHBondContact OD1-CB 3.47Å; D110-A112 PolarHBondContact OD1-N 3.28Å; D110-Q113 WeakPolarHBondContact O-CB 3.48Å; D110-Q113 PolarHBondContact O-N 2.84Å; D110-Q113 WeakPolarHBondContact OD1-CG 3.44Å; D110-Q113 PolarHBondContact OD1-N 3.24Å; D110-I114 WeakPolarHBondContact O-CG1 3.49Å; D110-I114 PolarHBondContact O-N 3.04Å; D110-Y276 PolarHBondContact OD2-OH 3.5Å
111E98.4Very high97.5Very high34 Ų3427 Ų2716%0.15915%0.15CC..Hα-helixtrans-61.9-25.8-179.8-78.8-168.8-153.500113.8A115 F236 S237 F240 F266 H270E111-A115 WeakPolarHBondContact O-CB 3.3Å; E111-A115 PolarHBondContact O-N 3.34Å; E111-F236 HydrophobicContact CG-CD1 4.48Å; E111-F236 WeakPolarHBondContact OE1-CA 3.16Å; E111-S237 WeakPolarHBondContact OE1-CB 3.48Å; E111-S237 PolarHBondContact OE1-N 3.44Å; E111-S237 WeakPolarHBondContact OE2-CB 3.46Å; E111-S237 PolarHBondContact OE2-OG 3.21Å; E111-F240 HydrophobicContact CG-CD1 3.89Å; E111-F240 HydrophobicContact CG-CE1 4.43Å; E111-F266 HydrophobicContact CB-CE2 4.04Å; E111-F266 HydrophobicContact CB-CZ 4.32Å; E111-F266 HydrophobicContact CG-CE2 4.22Å; E111-F266 WeakPolarHBondContact OE2-CE2 3.21Å; E111-H270 IonicContact OE2-CE1 3.87Å; E111-H270 IonicContact OE2-ND1 3.29Å
112A98.4Very high97.7Very high14 Ų1423.8 Ų23.812%0.11613%0.133CC..Hα-helixtrans-74.2-38.1177.900000111.4D110 T116 H270 K272 Y276D110-A112 PolarHBondContact O-N 2.84Å; D110-A112 VanDerWaalsContact OD1-CA 3.29Å; D110-A112 WeakPolarHBondContact OD1-CA 3.28Å; D110-A112 VanDerWaalsContact OD1-CB 3.29Å; D110-A112 WeakPolarHBondContact OD1-CB 3.47Å; D110-A112 PolarHBondContact OD1-N 3.28Å; A112-T116 VanDerWaalsContact O-CB 3.28Å; A112-T116 WeakPolarHBondContact O-CB 3.33Å; A112-T116 PolarHBondContact O-N 2.85Å; A112-T116 PolarHBondContact O-OG1 2.97Å; A112-H270 WeakPolarHBondContact CA-O 3.37Å; A112-H270 WeakPolarHBondContact CB-O 3Å; A112-K272 HydrophobicContact CB-CD 4.12Å; A112-K272 HydrophobicContact CB-CG 4.39Å; A112-Y276 HydrophobicContact CB-CE1 4.22Å
113Q98.5Very high97.9Very high13 Ų1324.3 Ų24.36%0.06113%0.133CC..Hα-helixtrans-62.6-49.2172.3-69.2165.2-18.500110F109 D110 T116 M117 Y276 L277 L280F109-Q113 VanDerWaalsContact CA-OE1 3.28Å; F109-Q113 HydrophobicContact CB-CB 4.19Å; D110-Q113 WeakPolarHBondContact O-CB 3.48Å; D110-Q113 PolarHBondContact O-N 2.84Å; D110-Q113 WeakPolarHBondContact OD1-CG 3.44Å; D110-Q113 PolarHBondContact OD1-N 3.24Å; Q113-T116 PolarHBondContact O-N 3.5Å; Q113-M117 PolarHBondContact O-N 3.45Å; Q113-Y276 HydrophobicContact CG-CD1 4.15Å; Q113-Y276 HydrophobicContact CG-CE1 3.62Å; Q113-L277 HydrophobicContact CB-CD2 4.07Å; Q113-L277 HydrophobicContact CG-CD2 4.22Å; Q113-L280 HydrophobicContact CB-CD1 3.95Å; Q113-L280 HydrophobicContact CG-CD1 3.86Å; Q113-L280 HydrophobicContact CG-CG 4.22Å; Q113-L280 VanDerWaalsContact NE2-CD2 3.28Å
114I98.8Very high97.9Very high0 Ų024.3 Ų24.30%013%0.133CC..Hα-helixtrans-60.5-50.3177.7-60.7168000110.8F109 D110 T116 M117 L118 L205 A206 F240 F266F109-I114 HydrophobicContact CB-CD1 4.15Å; F109-I114 HydrophobicContact CB-CG1 3.71Å; F109-I114 HydrophobicContact CD2-CG1 4.38Å; D110-I114 WeakPolarHBondContact O-CG1 3.49Å; D110-I114 PolarHBondContact O-N 3.04Å; I114-T116 VanDerWaalsContact C-N 3.26Å; I114-T116 PolarHBondContact O-N 3.38Å; I114-M117 PolarHBondContact O-N 3.46Å; I114-L118 HydrophobicContact CG2-CD1 3.65Å; I114-L118 HydrophobicContact CG2-CG 4.13Å; I114-L118 WeakPolarHBondContact O-CB 3.31Å; I114-L118 WeakPolarHBondContact O-CG 3.46Å; I114-L118 PolarHBondContact O-N 3.09Å; I114-L205 HydrophobicContact CG1-CB 4.2Å; I114-L205 HydrophobicContact CG2-CB 4.16Å; I114-L205 HydrophobicContact CG2-CD1 4.37Å; I114-A206 HydrophobicContact CD1-CB 4.08Å; I114-F240 HydrophobicContact CD1-CE1 3.95Å; I114-F240 HydrophobicContact CD1-CZ 4.22Å; I114-F240 HydrophobicContact CG2-CE1 4.29Å; I114-F240 HydrophobicContact CG2-CE2 4.15Å; I114-F240 HydrophobicContact CG2-CZ 3.64Å; I114-F266 HydrophobicContact CG2-CE1 4.44Å; I114-F266 HydrophobicContact CG2-CZ 4.46Å
115A98.8Very high98Very high0 Ų023.3 Ų23.30%013%0.128CC..Hα-helixtrans-61.6-34.2178.700000112.6E111 K119 F266 H270 C271E111-A115 WeakPolarHBondContact O-CB 3.3Å; E111-A115 PolarHBondContact O-N 3.34Å; A115-K119 VanDerWaalsContact O-CB 3.3Å; A115-K119 WeakPolarHBondContact O-CB 3.39Å; A115-K119 PolarHBondContact O-N 3.19Å; A115-F266 HydrophobicContact CB-CD1 4.35Å; A115-F266 HydrophobicContact CB-CE1 3.84Å; A115-F266 HydrophobicContact CB-CE2 4.31Å; A115-F266 HydrophobicContact CB-CZ 3.82Å; A115-H270 HydrophobicContact CB-CB 3.63Å; A115-C271 HydrophobicContact CB-CB 4.45Å
116T98.8Very high98.2Very high0 Ų022 Ų220%013%0.125CC..Hα-helixtrans-69-45176.6-56.20000111A112 Q113 I114 K119 E120 K272 T274 L277A112-T116 VanDerWaalsContact O-CB 3.28Å; A112-T116 WeakPolarHBondContact O-CB 3.33Å; A112-T116 PolarHBondContact O-N 2.85Å; A112-T116 PolarHBondContact O-OG1 2.97Å; Q113-T116 PolarHBondContact O-N 3.5Å; I114-T116 VanDerWaalsContact C-N 3.26Å; I114-T116 PolarHBondContact O-N 3.38Å; T116-K119 PolarHBondContact O-N 3.09Å; T116-E120 PolarHBondContact O-N 2.93Å; T116-K272 PolarHBondContact OG1-N 3.04Å; T116-T274 HydrophobicContact CG2-CG2 4.47Å; T116-L277 HydrophobicContact CG2-CD1 3.95Å; T116-L277 HydrophobicContact CG2-CD2 4.37Å; T116-L277 HydrophobicContact CG2-CG 4.09Å
117M98.8Very high98.3Very high0 Ų023.4 Ų23.40%013%0.127CC..Hα-helixtrans-64.1-48.1175.3-71.7-176.2-72.900112.1A100 F109 Q113 I114 K119 E120 I121 V151 L205 L277A100-M117 HydrophobicContact CB-SD 4.08Å; F109-M117 HydrophobicContact CD2-CE 3.55Å; F109-M117 HydrophobicContact CE2-CE 3.66Å; F109-M117 HydrophobicContact CG-CE 4.16Å; F109-M117 HydrophobicContact CZ-CE 4.38Å; Q113-M117 PolarHBondContact O-N 3.45Å; I114-M117 PolarHBondContact O-N 3.46Å; M117-K119 VanDerWaalsContact C-N 3.26Å; M117-K119 PolarHBondContact O-N 2.86Å; M117-E120 PolarHBondContact O-N 2.78Å; M117-E120 VanDerWaalsContact O-N 3.1Å; M117-I121 WeakPolarHBondContact O-CG1 3.49Å; M117-I121 PolarHBondContact O-N 2.81Å; M117-V151 HydrophobicContact CG-CG2 4.2Å; M117-L205 HydrophobicContact CE-CD1 4.45Å; M117-L205 HydrophobicContact CE-CD2 4.14Å; M117-L277 HydrophobicContact CG-CD1 3.72Å; M117-L277 HydrophobicContact CG-CD2 4.21Å
118L98.9Very high98.2Very high0 Ų022.4 Ų22.40%012%0.116CC..Hα-helixtrans-60.1-35.8178.7-70.5174.1000112.3I114 I121 L122 L198 A202 L205 F240 F243 F266 I267I114-L118 HydrophobicContact CG2-CD1 3.65Å; I114-L118 HydrophobicContact CG2-CG 4.13Å; I114-L118 WeakPolarHBondContact O-CB 3.31Å; I114-L118 WeakPolarHBondContact O-CG 3.46Å; I114-L118 PolarHBondContact O-N 3.09Å; L118-I121 HydrophobicContact CD2-CD1 4.28Å; L118-I121 PolarHBondContact O-N 2.86Å; L118-L122 VanDerWaalsContact O-CB 3.26Å; L118-L122 WeakPolarHBondContact O-CB 3.37Å; L118-L122 WeakPolarHBondContact O-CD1 3.31Å; L118-L122 WeakPolarHBondContact O-CG 3.46Å; L118-L122 PolarHBondContact O-N 3.38Å; L118-L198 HydrophobicContact CD2-CD1 3.58Å; L118-L198 HydrophobicContact CD2-CG 4.4Å; L118-A202 HydrophobicContact CD1-CB 3.88Å; L118-A202 HydrophobicContact CD2-CB 4.03Å; L118-L205 HydrophobicContact CD2-CD1 4.16Å; L118-L205 HydrophobicContact CG-CD1 4.38Å; L118-F240 HydrophobicContact CD1-CE2 4.29Å; L118-F243 HydrophobicContact CD1-CD1 4.35Å; L118-F243 HydrophobicContact CD1-CE1 3.8Å; L118-F243 HydrophobicContact CD1-CZ 4.26Å; L118-F266 HydrophobicContact CD1-CE1 3.94Å; L118-I267 HydrophobicContact CB-CD1 3.88Å
119K98.9Very high98Very high58 Ų5819 Ų1925%0.2529%0.091SC..Hα-helixtrans-60.1-46.6174-179.1-179.9172.5-178.90112A115 T116 M117 L122 K123 L262 I267 C271A115-K119 VanDerWaalsContact O-CB 3.3Å; A115-K119 WeakPolarHBondContact O-CB 3.39Å; A115-K119 PolarHBondContact O-N 3.19Å; T116-K119 PolarHBondContact O-N 3.09Å; M117-K119 VanDerWaalsContact C-N 3.26Å; M117-K119 PolarHBondContact O-N 2.86Å; K119-L122 WeakPolarHBondContact O-CB 3.35Å; K119-L122 PolarHBondContact O-N 3.07Å; K119-K123 WeakPolarHBondContact O-CG 3.5Å; K119-K123 PolarHBondContact O-N 3.08Å; K119-K123 VanDerWaalsContact O-N 3.09Å; K119-L262 HydrophobicContact CG-CD2 4.07Å; K119-L262 WeakPolarHBondContact O-CD2 3.49Å; K119-I267 HydrophobicContact CB-CG2 3.87Å; K119-I267 HydrophobicContact CD-CG2 4.2Å; K119-I267 HydrophobicContact CG-CG2 3.98Å; K119-C271 HydrophobicContact CD-CB 3.85Å; K119-C271 PolarHBondContact NZ-SG 2.79Å
120E98.8Very high97.8Very high19 Ų1922 Ų229%0.08911%0.114CC..Hα-helixtrans-72.1-37.4-178.9-58.9-49.8100.800111.6Y74 T116 M117 L122 K123 G124 V151 T274Y74-E120 VanDerWaalsContact CE1-OE2 3.26Å; Y74-E120 WeakPolarHBondContact CE1-OE2 3.34Å; T116-E120 PolarHBondContact O-N 2.93Å; M117-E120 PolarHBondContact O-N 2.78Å; M117-E120 VanDerWaalsContact O-N 3.1Å; E120-L122 VanDerWaalsContact C-N 3.32Å; E120-L122 PolarHBondContact O-N 3.35Å; E120-K123 PolarHBondContact O-N 2.85Å; E120-K123 VanDerWaalsContact OE1-CE 3.24Å; E120-K123 WeakPolarHBondContact OE1-CE 3.43Å; E120-K123 IonicContact OE1-NZ 2.91Å; E120-K123 PolarHBondContact OE1-NZ 3.38Å; E120-K123 IonicContact OE2-NZ 3.08Å; E120-K123 PolarHBondContact OE2-NZ 3.34Å; E120-G124 PolarHBondContact O-N 3.46Å; E120-V151 HydrophobicContact CB-CB 3.66Å; E120-V151 HydrophobicContact CB-CG1 4.18Å; E120-V151 HydrophobicContact CB-CG2 4.28Å; E120-V151 HydrophobicContact CG-CB 4.13Å; E120-V151 HydrophobicContact CG-CG2 4.3Å; E120-T274 HydrophobicContact CG-CG2 3.7Å
121I98.8Very high97.5Very high1 Ų123.8 Ų23.81%0.00512%0.121CC..Hα-helixtrans-56.9-47.3169.9-66.1162.8000110.4M117 L118 K123 G124 L125 V143 V151 L153 L198M117-I121 WeakPolarHBondContact O-CG1 3.49Å; M117-I121 PolarHBondContact O-N 2.81Å; L118-I121 HydrophobicContact CD2-CD1 4.28Å; L118-I121 PolarHBondContact O-N 2.86Å; I121-K123 VanDerWaalsContact C-N 3.29Å; I121-K123 PolarHBondContact O-N 2.81Å; I121-G124 WeakPolarHBondContact O-CA 3.5Å; I121-G124 PolarHBondContact O-N 2.96Å; I121-G124 VanDerWaalsContact O-N 3.07Å; I121-L125 HydrophobicContact CG2-CD1 4.1Å; I121-L125 HydrophobicContact CG2-CG 4.33Å; I121-L125 WeakPolarHBondContact O-CG 3.46Å; I121-L125 PolarHBondContact O-N 3Å; I121-V143 HydrophobicContact CD1-CB 4.42Å; I121-V143 HydrophobicContact CD1-CG1 3.91Å; I121-V143 HydrophobicContact CD1-CG2 3.6Å; I121-V143 HydrophobicContact CG1-CG1 4.01Å; I121-V143 HydrophobicContact CG1-CG2 3.92Å; I121-V151 HydrophobicContact CG1-CG1 4.42Å; I121-L153 HydrophobicContact CG1-CD2 4.3Å; I121-L153 HydrophobicContact CG2-CD2 4.09Å; I121-L198 HydrophobicContact CB-CD1 4.29Å; I121-L198 HydrophobicContact CG2-CD1 3.51Å
122L98.9Very high97Very high0 Ų031.7 Ų31.70%015%0.154CC..Hα-helixtrans-60.6-36.2178.2-80.1167.4000112.7L118 K119 E120 L125 D126 L198 F243 A258 L261 L262 I267L118-L122 VanDerWaalsContact O-CB 3.26Å; L118-L122 WeakPolarHBondContact O-CB 3.37Å; L118-L122 WeakPolarHBondContact O-CD1 3.31Å; L118-L122 WeakPolarHBondContact O-CG 3.46Å; L118-L122 PolarHBondContact O-N 3.38Å; K119-L122 WeakPolarHBondContact O-CB 3.35Å; K119-L122 PolarHBondContact O-N 3.07Å; E120-L122 VanDerWaalsContact C-N 3.32Å; E120-L122 PolarHBondContact O-N 3.35Å; L122-L125 PolarHBondContact O-N 2.81Å; L122-D126 WeakPolarHBondContact O-CB 3.37Å; L122-D126 PolarHBondContact O-N 2.88Å; L122-L198 HydrophobicContact CD2-CD2 3.38Å; L122-L198 HydrophobicContact CG-CD2 3.9Å; L122-F243 HydrophobicContact CD1-CE2 4.11Å; L122-F243 HydrophobicContact CD1-CZ 4.13Å; L122-A258 HydrophobicContact CD2-CB 4Å; L122-L261 HydrophobicContact CD1-CB 3.81Å; L122-L261 HydrophobicContact CD2-CB 3.52Å; L122-L261 HydrophobicContact CD2-CD1 3.84Å; L122-L261 HydrophobicContact CD2-CG 4.35Å; L122-L261 HydrophobicContact CG-CB 4.34Å; L122-L262 HydrophobicContact CB-CD2 3.59Å; L122-L262 HydrophobicContact CB-CG 3.91Å; L122-L262 HydrophobicContact CD1-CD2 4.3Å; L122-I267 HydrophobicContact CD1-CD1 4.18Å; L122-I267 HydrophobicContact CD1-CG1 4.07Å
123K98.8Very high96.4Very high50 Ų5032.1 Ų32.122%0.21715%0.154CC..Hα-helixtrans-68.2-37.5173.7-65.3177.8-170.1164.60112Y74 K119 E120 I121 Y127 L262Y74-K123 HydrophobicContact CD1-CB 4.07Å; Y74-K123 HydrophobicContact CD1-CD 4.21Å; Y74-K123 HydrophobicContact CD2-CB 3.65Å; Y74-K123 HydrophobicContact CD2-CD 4.49Å; Y74-K123 HydrophobicContact CE1-CB 4.1Å; Y74-K123 HydrophobicContact CE1-CD 3.48Å; Y74-K123 VanDerWaalsContact CE1-CD 3.48Å; Y74-K123 HydrophobicContact CE2-CB 3.67Å; Y74-K123 HydrophobicContact CE2-CD 3.81Å; Y74-K123 HydrophobicContact CE2-CG 4.37Å; Y74-K123 HydrophobicContact CG-CB 3.87Å; Y74-K123 VanDerWaalsContact OH-CD 3.27Å; Y74-K123 WeakPolarHBondContact OH-CD 3.26Å; Y74-K123 PolarHBondContact OH-NZ 2.9Å; K119-K123 WeakPolarHBondContact O-CG 3.5Å; K119-K123 PolarHBondContact O-N 3.08Å; K119-K123 VanDerWaalsContact O-N 3.09Å; E120-K123 PolarHBondContact O-N 2.85Å; E120-K123 VanDerWaalsContact OE1-CE 3.24Å; E120-K123 WeakPolarHBondContact OE1-CE 3.43Å; E120-K123 IonicContact OE1-NZ 2.91Å; E120-K123 PolarHBondContact OE1-NZ 3.38Å; E120-K123 IonicContact OE2-NZ 3.08Å; E120-K123 PolarHBondContact OE2-NZ 3.34Å; I121-K123 VanDerWaalsContact C-N 3.29Å; I121-K123 PolarHBondContact O-N 2.81Å; K123-Y127 WeakPolarHBondContact O-CB 3.39Å; K123-Y127 PolarHBondContact O-N 3.2Å; K123-Y127 VanDerWaalsContact O-N 3.08Å; K123-L262 HydrophobicContact CG-CD1 4.3Å; K123-L262 HydrophobicContact CG-CD2 3.94Å
124G98.2Very high95.9Very high0 Ų033.3 Ų33.30%016%0.16CC..Hα-helixtrans-61.6-46.5171.900000112E120 I121 Y127 L128E120-G124 PolarHBondContact O-N 3.46Å; I121-G124 WeakPolarHBondContact O-CA 3.5Å; I121-G124 PolarHBondContact O-N 2.96Å; I121-G124 VanDerWaalsContact O-N 3.07Å; G124-Y127 WeakPolarHBondContact O-CB 3.26Å; G124-Y127 PolarHBondContact O-N 3.36Å; G124-L128 WeakPolarHBondContact O-CG 3.27Å; G124-L128 PolarHBondContact O-N 2.82Å
125L97.9Very high95.4Very high0 Ų033.3 Ų33.30%016%0.16CC..Hα-helixtrans-65-43.5176.5-69.1179.3000112.5I121 L122 Y127 L128 H129 H135 I138 L153 D194 L198 A258I121-L125 HydrophobicContact CG2-CD1 4.1Å; I121-L125 HydrophobicContact CG2-CG 4.33Å; I121-L125 WeakPolarHBondContact O-CG 3.46Å; I121-L125 PolarHBondContact O-N 3Å; L122-L125 PolarHBondContact O-N 2.81Å; L125-Y127 VanDerWaalsContact C-N 3.3Å; L125-Y127 PolarHBondContact O-N 2.91Å; L125-L128 PolarHBondContact O-N 3.23Å; L125-H129 VanDerWaalsContact O-CB 3.27Å; L125-H129 WeakPolarHBondContact O-CB 3.49Å; L125-H129 PolarHBondContact O-CD2 3.11Å; L125-H129 PolarHBondContact O-N 3.4Å; L125-H135 HydrophobicContact CD2-CB 4.33Å; L125-I138 HydrophobicContact CD2-CD1 3.79Å; L125-I138 HydrophobicContact CD2-CG1 4.07Å; L125-L153 HydrophobicContact CD2-CD1 4.07Å; L125-L153 HydrophobicContact CG-CD1 4.23Å; L125-D194 HydrophobicContact CD1-CB 4.41Å; L125-D194 HydrophobicContact CD2-CB 3.88Å; L125-L198 HydrophobicContact CD1-CB 4.34Å; L125-L198 HydrophobicContact CD1-CD2 4.17Å; L125-A258 HydrophobicContact CB-CB 3.84Å
126D98.5Very high94.9Very high52 Ų5236.9 Ų36.928%0.27817%0.173SC..Hα-helixtrans-58.3-43.4175.8-17344.2000111.3L122 S130 A258 K259L122-D126 WeakPolarHBondContact O-CB 3.37Å; L122-D126 PolarHBondContact O-N 2.88Å; D126-S130 VanDerWaalsContact O-CB 3.26Å; D126-S130 WeakPolarHBondContact O-CB 3.38Å; D126-S130 PolarHBondContact O-N 2.7Å; D126-S130 PolarHBondContact O-OG 3.25Å; D126-A258 HydrophobicContact CB-CB 4.06Å; D126-K259 WeakPolarHBondContact OD1-CB 3.47Å
127Y97.5Very high94.3Very high48 Ų4837.9 Ų37.919%0.18818%0.179CC..Hα-helixtrans-58.2-55.1173170-101.1000111.7C70 D71 I75 K123 G124 L125 H129 S130 E131C70-Y127 WeakPolarHBondContact CA-OH 3.46Å; C70-Y127 HydrophobicContact CB-CE1 4.25Å; D71-Y127 PolarHBondContact N-OH 3.47Å; D71-Y127 PolarHBondContact O-OH 3.32Å; I75-Y127 HydrophobicContact CG1-CD1 3.91Å; I75-Y127 HydrophobicContact CG1-CE1 4.15Å; K123-Y127 WeakPolarHBondContact O-CB 3.39Å; K123-Y127 PolarHBondContact O-N 3.2Å; K123-Y127 VanDerWaalsContact O-N 3.08Å; G124-Y127 WeakPolarHBondContact O-CB 3.26Å; G124-Y127 PolarHBondContact O-N 3.36Å; L125-Y127 VanDerWaalsContact C-N 3.3Å; L125-Y127 PolarHBondContact O-N 2.91Å; Y127-H129 PolarHBondContact O-N 2.94Å; Y127-S130 PolarHBondContact O-N 3.31Å; Y127-S130 PolarHBondContact O-OG 3.39Å; Y127-E131 HydrophobicContact CE2-CG 4.07Å; Y127-E131 WeakPolarHBondContact O-CG 3.5Å; Y127-E131 PolarHBondContact O-N 3.06Å; Y127-E131 VanDerWaalsContact O-N 3.11Å
128L93.8Very high94.1Very high0 Ų038 Ų380%018%0.179CC..Hα-helixtrans-59.9-45.8-178.4-69.4175.3000112.4I75 G124 L125 S130 E131 K132 K133 H135 L153 F156I75-L128 HydrophobicContact CD1-CD1 3.81Å; I75-L128 HydrophobicContact CD1-CD2 4.1Å; I75-L128 HydrophobicContact CD1-CG 3.89Å; I75-L128 HydrophobicContact CG1-CD2 4.36Å; G124-L128 WeakPolarHBondContact O-CG 3.27Å; G124-L128 PolarHBondContact O-N 2.82Å; L125-L128 PolarHBondContact O-N 3.23Å; L128-S130 VanDerWaalsContact C-N 3.31Å; L128-S130 PolarHBondContact O-N 3.03Å; L128-E131 CarbonylContact O-C 3.47Å; L128-E131 WeakPolarHBondContact O-CA 3.34Å; L128-E131 WeakPolarHBondContact O-CB 3.32Å; L128-E131 PolarHBondContact O-N 3.44Å; L128-E131 VanDerWaalsContact O-N 3.09Å; L128-K132 PolarHBondContact O-N 3.1Å; L128-K133 CarbonylContact C-O 3.4Å; L128-K133 HydrophobicContact CB-CB 4.28Å; L128-K133 HydrophobicContact CD2-CB 4.15Å; L128-K133 HydrophobicContact CD2-CD 4.24Å; L128-K133 WeakPolarHBondContact O-CB 3.5Å; L128-K133 PolarHBondContact O-N 3.35Å; L128-H135 HydrophobicContact CD1-CB 4.1Å; L128-L153 HydrophobicContact CD1-CD1 4.36Å; L128-F156 HydrophobicContact CD1-CE1 3.61Å; L128-F156 HydrophobicContact CD1-CZ 4.12Å; L128-F156 HydrophobicContact CD2-CE1 3.55Å; L128-F156 HydrophobicContact CD2-CZ 3.82Å; L128-F156 HydrophobicContact CG-CE1 4.23Å
129H93.9Very high94Very high34 Ų3439 Ų3916%0.15718%0.184CC..Hα-helixtrans-66.4-35.8-178.4-62.3175.4000111.2L125 Y127 E131 K132 K133 S191 D194L125-H129 VanDerWaalsContact O-CB 3.27Å; L125-H129 WeakPolarHBondContact O-CB 3.49Å; L125-H129 PolarHBondContact O-CD2 3.11Å; L125-H129 PolarHBondContact O-N 3.4Å; Y127-H129 PolarHBondContact O-N 2.94Å; H129-E131 VanDerWaalsContact C-N 3.26Å; H129-E131 PolarHBondContact O-N 3.43Å; H129-K132 PolarHBondContact O-N 3.26Å; H129-K132 VanDerWaalsContact O-N 3.1Å; H129-K133 PolarHBondContact CD2-O 3.09Å; H129-S191 PolarHBondContact CE1-O 3.46Å; H129-S191 VanDerWaalsContact CE1-O 3.24Å; H129-D194 IonicContact CD2-OD2 3.71Å; H129-D194 IonicContact CE1-OD2 3.89Å; H129-D194 IonicContact NE2-OD2 3.83Å; H129-D194 PolarHBondContact NE2-OD2 3.27Å
130S94Very high93.8Very high79 Ų7936.3 Ų36.355%0.55217%0.172SC*.Hα-helixtrans-64.7-31.7173.377.30000112.9D126 Y127 L128 K132D126-S130 VanDerWaalsContact O-CB 3.26Å; D126-S130 WeakPolarHBondContact O-CB 3.38Å; D126-S130 PolarHBondContact O-N 2.7Å; D126-S130 PolarHBondContact O-OG 3.25Å; Y127-S130 PolarHBondContact O-N 3.31Å; Y127-S130 PolarHBondContact O-OG 3.39Å; L128-S130 VanDerWaalsContact C-N 3.31Å; L128-S130 PolarHBondContact O-N 3.03Å; S130-K132 VanDerWaalsContact C-N 3.25Å; S130-K132 PolarHBondContact O-N 3.33Å
131E90.1Very high93.6Very high98 Ų9837 Ų3746%0.45818%0.181SC..THydrogen-bonded Turntrans-85.68.4175.2-70.2-64.612200113.2Y127 L128 H129 K133Y127-E131 HydrophobicContact CE2-CG 4.07Å; Y127-E131 WeakPolarHBondContact O-CG 3.5Å; Y127-E131 PolarHBondContact O-N 3.06Å; Y127-E131 VanDerWaalsContact O-N 3.11Å; L128-E131 CarbonylContact O-C 3.47Å; L128-E131 WeakPolarHBondContact O-CA 3.34Å; L128-E131 WeakPolarHBondContact O-CB 3.32Å; L128-E131 PolarHBondContact O-N 3.44Å; L128-E131 VanDerWaalsContact O-N 3.09Å; H129-E131 VanDerWaalsContact C-N 3.26Å; H129-E131 PolarHBondContact O-N 3.43Å; E131-K133 HydrophobicContact CB-CD 4.16Å; E131-K133 HydrophobicContact CB-CG 4.29Å; E131-K133 PolarHBondContact O-N 3.2Å; E131-K133 IonicContact OE2-NZ 2.67Å
132K88.3Confident93.4Very high199 Ų19937.4 Ų37.487%0.86518%0.183SC*.THydrogen-bonded Turntrans57.928.6-176.5-52.9178.3-177.6176.10113.7L128 H129 S130L128-K132 PolarHBondContact O-N 3.1Å; H129-K132 PolarHBondContact O-N 3.26Å; H129-K132 VanDerWaalsContact O-N 3.1Å; S130-K132 VanDerWaalsContact C-N 3.25Å; S130-K132 PolarHBondContact O-N 3.33Å
133K86.1Confident93.3Very high24 Ų2437.4 Ų37.410%0.10418%0.183CC..  trans-101.7149174.5-63.6172.6176.1990109.4V66 L128 H129 E131V66-K133 HydrophobicContact CG1-CD 4.03Å; V66-K133 HydrophobicContact CG1-CG 4.46Å; L128-K133 CarbonylContact C-O 3.4Å; L128-K133 HydrophobicContact CB-CB 4.28Å; L128-K133 HydrophobicContact CD2-CB 4.15Å; L128-K133 HydrophobicContact CD2-CD 4.24Å; L128-K133 WeakPolarHBondContact O-CB 3.5Å; L128-K133 PolarHBondContact O-N 3.35Å; H129-K133 PolarHBondContact CD2-O 3.09Å; E131-K133 HydrophobicContact CB-CD 4.16Å; E131-K133 HydrophobicContact CB-CG 4.29Å; E131-K133 PolarHBondContact O-N 3.2Å; E131-K133 IonicContact OE2-NZ 2.67Å
134I86.8Confident93.2Very high37 Ų3737 Ų3719%0.1918%0.183CC..  trans-125.1133.2177.6-52.5172.1000106.6R136 Y189 D194I134-R136 HydrophobicContact CB-CG 4.17Å; I134-R136 HydrophobicContact CG2-CG 3.73Å; I134-Y189 HydrophobicContact CD1-CD2 4.48Å; I134-Y189 HydrophobicContact CD1-CE2 4.43Å; I134-D194 WeakPolarHBondContact CG2-OD2 3.17Å
135H89.9Confident93.2Very high0 Ų037 Ų370%018%0.183CC..  trans-76.7-40.4-176.3-170.4-75.8000113L125 L128 D137 I138 A154 D155 F156 G157 D194L125-H135 HydrophobicContact CD2-CB 4.33Å; L128-H135 HydrophobicContact CD1-CB 4.1Å; H135-D137 PolarHBondContact CE1-O 2.9Å; H135-D137 PolarHBondContact ND1-N 3.3Å; H135-D137 PolarHBondContact ND1-O 3.44Å; H135-D137 PolarHBondContact O-N 2.85Å; H135-I138 HydrophobicContact CB-CD1 3.73Å; H135-I138 HydrophobicContact CB-CG1 3.95Å; H135-I138 WeakPolarHBondContact ND1-CD1 3.28Å; H135-A154 PolarHBondContact CE1-O 2.96Å; H135-A154 PolarHBondContact NE2-O 3.24Å; H135-A154 VanDerWaalsContact NE2-O 3.15Å; H135-D155 PolarHBondContact CE1-O 2.76Å; H135-D155 VanDerWaalsContact CE1-O 3.22Å; H135-F156 AromaticContact CD2-CE1 4Å; H135-G157 PolarHBondContact O-N 2.94Å; H135-D194 PolarHBondContact N-OD1 3.42Å; H135-D194 PolarHBondContact N-OD2 3.06Å
136R87.1Confident93.2Very high75 Ų7537.5 Ų37.528%0.28319%0.187SC..  trans69-18175-52.2-177.8-175.1-168.36117.5I134 A159 G160 Y189 D194I134-R136 HydrophobicContact CB-CG 4.17Å; I134-R136 HydrophobicContact CG2-CG 3.73Å; R136-A159 VanDerWaalsContact CZ-CA 3.44Å; R136-A159 PolarHBondContact NH1-O 3.31Å; R136-A159 PolarHBondContact NH2-O 2.97Å; R136-G160 PolarHBondContact NH1-O 3.47Å; R136-Y189 HydrophobicContact CG-CE2 4.47Å; R136-Y189 VanDerWaalsContact CZ-OH 3.27Å; R136-Y189 PolarHBondContact NE-OH 2.9Å; R136-Y189 PolarHBondContact NH1-OH 3.27Å; R136-D194 PolarHBondContact N-OD1 2.94Å
137D87.4Confident93Very high22 Ų2239.7 Ų39.712%0.11820%0.195CC..  trans-131.455.5178-165.230.4000112.3H135 K139 N142H135-D137 PolarHBondContact CE1-O 2.9Å; H135-D137 PolarHBondContact ND1-N 3.3Å; H135-D137 PolarHBondContact ND1-O 3.44Å; H135-D137 PolarHBondContact O-N 2.85Å; D137-K139 PolarHBondContact O-N 3.04Å; D137-K139 WeakPolarHBondContact OD1-CE 3.31Å; D137-K139 IonicContact OD1-NZ 3.88Å; D137-K139 PolarHBondContact OD1-NZ 3.36Å; D137-K139 WeakPolarHBondContact OD2-CE 3.39Å; D137-K139 IonicContact OD2-NZ 2.78Å; D137-K139 PolarHBondContact OD2-NZ 3.34Å; D137-N142 VanDerWaalsContact CG-ND2 3.29Å; D137-N142 PolarHBondContact O-ND2 2.73Å; D137-N142 PolarHBondContact OD2-ND2 2.83Å
138I94.8Very high92.9Very high1 Ų144 Ų441%0.00522%0.217CC..  trans-79116.9176-62.3-67.3000109.7L125 H135 L153 W178 D194 T201L125-I138 HydrophobicContact CD2-CD1 3.79Å; L125-I138 HydrophobicContact CD2-CG1 4.07Å; H135-I138 HydrophobicContact CB-CD1 3.73Å; H135-I138 HydrophobicContact CB-CG1 3.95Å; H135-I138 WeakPolarHBondContact ND1-CD1 3.28Å; I138-L153 HydrophobicContact CD1-CD1 3.91Å; I138-L153 HydrophobicContact CD1-CD2 3.68Å; I138-L153 HydrophobicContact CD1-CG 4.4Å; I138-W178 VanDerWaalsContact O-CD1 3.22Å; I138-D194 HydrophobicContact CG1-CB 4.37Å; I138-T201 PolarHBondContact O-OG1 2.84Å
139K94.9Very high93Very high23 Ų2344 Ų4410%0.122%0.217CC..SBendtrans-161.4161.8178.560.8-169.7-179.8-147.60110.3D137 A141 N142 V143 T175 W178 T201D137-K139 PolarHBondContact O-N 3.04Å; D137-K139 WeakPolarHBondContact OD1-CE 3.31Å; D137-K139 IonicContact OD1-NZ 3.88Å; D137-K139 PolarHBondContact OD1-NZ 3.36Å; D137-K139 WeakPolarHBondContact OD2-CE 3.39Å; D137-K139 IonicContact OD2-NZ 2.78Å; D137-K139 PolarHBondContact OD2-NZ 3.34Å; K139-A141 HydrophobicContact CD-CB 4.49Å; K139-A141 HydrophobicContact CG-CB 4.22Å; K139-A141 PolarHBondContact O-N 3.24Å; K139-A141 VanDerWaalsContact O-N 3.16Å; K139-N142 WeakPolarHBondContact CE-ND2 3.29Å; K139-N142 HydrophobicContact CG-CB 4.23Å; K139-N142 PolarHBondContact O-N 3.1Å; K139-V143 PolarHBondContact O-N 3.36Å; K139-T175 PolarHBondContact NZ-OG1 2.95Å; K139-T175 VanDerWaalsContact NZ-OG1 3.09Å; K139-W178 HydrophobicContact CB-CD2 3.94Å; K139-W178 HydrophobicContact CB-CG 4.07Å; K139-W178 HydrophobicContact CB-CZ2 4.12Å; K139-T201 WeakPolarHBondContact CA-OG1 3.39Å
140A96.6Very high93.2Very high0 Ų047 Ų470%023%0.231CC..G310 helixtrans-61.2-28-175.300000113.6A100 L101 N142 V143 E204 L205A100-A140 HydrophobicContact CB-CB 4.14Å; A100-A140 PolarHBondContact N-O 3.01Å; L101-A140 HydrophobicContact CB-CB 4.09Å; L101-A140 PolarHBondContact N-O 2.85Å; A140-N142 VanDerWaalsContact C-N 3.26Å; A140-N142 PolarHBondContact O-N 2.87Å; A140-V143 PolarHBondContact O-N 2.8Å; A140-E204 HydrophobicContact CB-CG 4.09Å; A140-E204 VanDerWaalsContact CB-OE1 3.25Å; A140-E204 WeakPolarHBondContact CB-OE1 3.49Å; A140-E204 WeakPolarHBondContact CB-OE2 3.39Å; A140-E204 PolarHBondContact N-OE1 3.25Å; A140-E204 PolarHBondContact N-OE2 3.46Å; A140-L205 HydrophobicContact CB-CD2 3.99Å
141A93.3Very high93.4Very high33 Ų3343.3 Ų43.327%0.27321%0.205SC..G310 helixtrans-63.1-30.8174.400000113.3S99 L101 K139S99-A141 WeakPolarHBondContact CB-O 3.46Å; L101-A141 HydrophobicContact CB-CB 4.37Å; L101-A141 HydrophobicContact CD2-CB 3.9Å; K139-A141 HydrophobicContact CD-CB 4.49Å; K139-A141 HydrophobicContact CG-CB 4.22Å; K139-A141 PolarHBondContact O-N 3.24Å; K139-A141 VanDerWaalsContact O-N 3.16Å
142N94.3Very high93.8Very high10 Ų1039.2 Ų39.25%0.05319%0.186CC..G310 helixtrans-978-178.2-68.3-1.8000112.5D137 K139 A140 A154D137-N142 VanDerWaalsContact CG-ND2 3.29Å; D137-N142 PolarHBondContact O-ND2 2.73Å; D137-N142 PolarHBondContact OD2-ND2 2.83Å; K139-N142 WeakPolarHBondContact CE-ND2 3.29Å; K139-N142 HydrophobicContact CG-CB 4.23Å; K139-N142 PolarHBondContact O-N 3.1Å; A140-N142 VanDerWaalsContact C-N 3.26Å; A140-N142 PolarHBondContact O-N 2.87Å; N142-A154 WeakPolarHBondContact CB-O 3.29Å; N142-A154 PolarHBondContact O-N 3.05Å
143V97.5Very high94.1Very high0 Ų029.8 Ų29.80%015%0.145CC..EExtended strand (participates in β ladder)trans-103.7103.6173.1177.70000107.3S99 A100 I121 K139 A140 V151 L153S99-V143 CarbonylContact C-O 3.6Å; S99-V143 VanDerWaalsContact CA-O 3.3Å; S99-V143 WeakPolarHBondContact CA-O 3.3Å; A100-V143 HydrophobicContact CB-CB 4.06Å; A100-V143 HydrophobicContact CB-CG1 4.09Å; A100-V143 PolarHBondContact N-O 3.28Å; I121-V143 HydrophobicContact CD1-CB 4.42Å; I121-V143 HydrophobicContact CD1-CG1 3.91Å; I121-V143 HydrophobicContact CD1-CG2 3.6Å; I121-V143 HydrophobicContact CG1-CG1 4.01Å; I121-V143 HydrophobicContact CG1-CG2 3.92Å; K139-V143 PolarHBondContact O-N 3.36Å; A140-V143 PolarHBondContact O-N 2.8Å; V143-V151 HydrophobicContact CG1-CG1 3.45Å; V143-V151 VanDerWaalsContact CG1-CG1 3.45Å; V143-L153 HydrophobicContact CG2-CD2 4.14Å
144L97.3Very high94.4Very high42 Ų4228.8 Ų28.822%0.2214%0.141CC..EExtended strand (participates in β ladder)trans-101.8147.9-175.4-60.8-171.1000111.6T76 L95 V151 K152 A154T76-L144 HydrophobicContact CG2-CD1 4.3Å; L95-L144 HydrophobicContact CB-CB 4.02Å; L95-L144 HydrophobicContact CD1-CB 3.37Å; L95-L144 HydrophobicContact CD1-CD1 4.08Å; L95-L144 HydrophobicContact CD1-CG 4.36Å; L95-L144 HydrophobicContact CG-CB 4.34Å; L144-V151 WeakPolarHBondContact O-CA 3.49Å; L144-K152 PolarHBondContact N-O 3.03Å; L144-K152 PolarHBondContact O-N 3.23Å; L144-A154 HydrophobicContact CD1-CB 3.4Å; L144-A154 HydrophobicContact CG-CB 3.64Å
145L98.3Very high94Very high0 Ų029 Ų290%014%0.143CC..EExtended strand (participates in β ladder)trans-117.6137.6179.6-65.488.1000112L95 G97 G98 A100 L103 E150 V151 L277 I281L95-L145 CarbonylContact C-O 3.57Å; L95-L145 VanDerWaalsContact C-O 3.25Å; L95-L145 WeakPolarHBondContact CB-O 3.25Å; G97-L145 WeakPolarHBondContact CA-O 3.41Å; G97-L145 PolarHBondContact N-O 3.32Å; G98-L145 PolarHBondContact O-N 3.28Å; A100-L145 HydrophobicContact CB-CD1 4.24Å; L103-L145 HydrophobicContact CD1-CD1 3.6Å; L103-L145 HydrophobicContact CD1-CD2 3.74Å; L103-L145 HydrophobicContact CD1-CG 4.17Å; L145-E150 CarbonylContact C-O 3.47Å; L145-E150 WeakPolarHBondContact CA-O 3.15Å; L145-V151 HydrophobicContact CD2-CG2 4.11Å; L145-V151 HydrophobicContact CG-CG2 4.16Å; L145-L277 HydrophobicContact CD2-CB 4.18Å; L145-L277 HydrophobicContact CD2-CD1 4.05Å; L145-I281 HydrophobicContact CB-CD1 4.36Å
146S96.8Very high93.2Very high11 Ų1129.3 Ų29.38%0.07714%0.144CC..  trans-73.2164165.883.20000110.2H148 G149 E150 I281S146-H148 PolarHBondContact O-N 3.29Å; S146-H148 PolarHBondContact OG-N 3.11Å; S146-G149 PolarHBondContact O-N 2.77Å; S146-E150 WeakPolarHBondContact CB-OE2 3.37Å; S146-E150 PolarHBondContact N-O 3.34Å; S146-E150 WeakPolarHBondContact OG-CB 3.36Å; S146-E150 PolarHBondContact OG-N 3.24Å; S146-E150 PolarHBondContact OG-OE2 3.23Å; S146-I281 WeakPolarHBondContact O-CD1 3.46Å
147E94.5Very high91.9Very high97 Ų9726.5 Ų26.545%0.45314%0.138SC..THydrogen-bonded Turntrans-60.4-17.3177-61.9-177.6170.900113.4
148H94.6Very high90.2Very high138 Ų13826.1 Ų26.164%0.63914%0.137SC*.THydrogen-bonded Turntrans-99.56.3178.6-56.2-44.6000113.2S146S146-H148 PolarHBondContact O-N 3.29Å; S146-H148 PolarHBondContact OG-N 3.11Å
149G96.4Very high87.6Confident0 Ų027.3 Ų27.30%015%0.147CC..  trans84.411.3176.800000114.8S146 T274S146-G149 PolarHBondContact O-N 2.77Å; G149-T274 VanDerWaalsContact O-CB 3.29Å; G149-T274 WeakPolarHBondContact O-CB 3.22Å
150E98.1Very high84.8Confident97 Ų9727 Ų2745%0.45315%0.15SC..  trans-67.8136.9169.6-57.3163.9120.800109L145 S146L145-E150 CarbonylContact C-O 3.47Å; L145-E150 WeakPolarHBondContact CA-O 3.15Å; S146-E150 WeakPolarHBondContact CB-OE2 3.37Å; S146-E150 PolarHBondContact N-O 3.34Å; S146-E150 WeakPolarHBondContact OG-CB 3.36Å; S146-E150 PolarHBondContact OG-N 3.24Å; S146-E150 PolarHBondContact OG-OE2 3.23Å
151V98.5Very high82Confident3 Ų333.8 Ų33.82%0.01818%0.181CC..EExtended strand (participates in β ladder)trans-111.2131.5-175.1-178.50000109M117 E120 I121 V143 L144 L145 L277M117-V151 HydrophobicContact CG-CG2 4.2Å; E120-V151 HydrophobicContact CB-CB 3.66Å; E120-V151 HydrophobicContact CB-CG1 4.18Å; E120-V151 HydrophobicContact CB-CG2 4.28Å; E120-V151 HydrophobicContact CG-CB 4.13Å; E120-V151 HydrophobicContact CG-CG2 4.3Å; I121-V151 HydrophobicContact CG1-CG1 4.42Å; V143-V151 HydrophobicContact CG1-CG1 3.45Å; V143-V151 VanDerWaalsContact CG1-CG1 3.45Å; L144-V151 WeakPolarHBondContact O-CA 3.49Å; L145-V151 HydrophobicContact CD2-CG2 4.11Å; L145-V151 HydrophobicContact CG-CG2 4.16Å; V151-L277 HydrophobicContact CG2-CD1 3.55Å
152K98.2Very high79.4Confident11 Ų1135 Ų355%0.04818%0.183CC..EExtended strand (participates in β ladder)trans-134.8147178.5-51-162.5-176-1660111.5P73 Y74 T76 E93 L95 L144P73-K152 VanDerWaalsContact O-CD 3.31Å; P73-K152 WeakPolarHBondContact O-CD 3.16Å; P73-K152 WeakPolarHBondContact O-CE 3.5Å; P73-K152 WeakPolarHBondContact O-CG 3.46Å; Y74-K152 CarbonylContact O-C 3.6Å; Y74-K152 VanDerWaalsContact O-CA 3.31Å; Y74-K152 WeakPolarHBondContact O-CA 3.49Å; T76-K152 HydrophobicContact CG2-CB 4.44Å; E93-K152 IonicContact OE1-NZ 2.75Å; E93-K152 PolarHBondContact OE1-NZ 2.82Å; E93-K152 IonicContact OE2-NZ 2.75Å; E93-K152 PolarHBondContact OE2-NZ 3.37Å; L95-K152 HydrophobicContact CD1-CB 3.85Å; L95-K152 HydrophobicContact CD1-CD 4.15Å; L95-K152 HydrophobicContact CD1-CG 4.11Å; L95-K152 HydrophobicContact CD2-CD 4.19Å; L95-K152 HydrophobicContact CD2-CG 4.4Å; L144-K152 PolarHBondContact N-O 3.03Å; L144-K152 PolarHBondContact O-N 3.23Å
153L96Very high76.7Confident1 Ų137.7 Ų37.71%0.00520%0.2CC..EExtended strand (participates in β ladder)trans-78.7136.5167.5-64.2174.3000109.7Y74 I75 T76 I121 L125 L128 I138 V143Y74-L153 PolarHBondContact O-N 3.19Å; I75-L153 HydrophobicContact CD1-CB 3.94Å; I75-L153 HydrophobicContact CD1-CD1 4.17Å; T76-L153 PolarHBondContact N-O 3.19Å; T76-L153 PolarHBondContact OG1-O 2.87Å; I121-L153 HydrophobicContact CG1-CD2 4.3Å; I121-L153 HydrophobicContact CG2-CD2 4.09Å; L125-L153 HydrophobicContact CD2-CD1 4.07Å; L125-L153 HydrophobicContact CG-CD1 4.23Å; L128-L153 HydrophobicContact CD1-CD1 4.36Å; I138-L153 HydrophobicContact CD1-CD1 3.91Å; I138-L153 HydrophobicContact CD1-CD2 3.68Å; I138-L153 HydrophobicContact CD1-CG 4.4Å; V143-L153 HydrophobicContact CG2-CD2 4.14Å
154A91Very high73.7Confident4 Ų444.4 Ų44.43%0.03324%0.236CC..  trans-128169.6177.600000110.4T76 H135 N142 L144T76-A154 HydrophobicContact CG2-CB 3.62Å; H135-A154 PolarHBondContact CE1-O 2.96Å; H135-A154 PolarHBondContact NE2-O 3.24Å; H135-A154 VanDerWaalsContact NE2-O 3.15Å; N142-A154 WeakPolarHBondContact CB-O 3.29Å; N142-A154 PolarHBondContact O-N 3.05Å; L144-A154 HydrophobicContact CD1-CB 3.4Å; L144-A154 HydrophobicContact CG-CB 3.64Å
155D79.3Confident70.8Confident41 Ų4147.1 Ų47.122%0.21926%0.255CS..  trans48.981.6175-73-41.9000112.9K46 H135 G157K46-D155 IonicContact NZ-OD1 3.42Å; K46-D155 PolarHBondContact NZ-OD1 3.48Å; H135-D155 PolarHBondContact CE1-O 2.76Å; H135-D155 VanDerWaalsContact CE1-O 3.22Å; D155-G157 PolarHBondContact O-N 3.06Å
156F72.1Confident67.8Low7 Ų749 Ų493%0.03126%0.263CS..  trans-63.8106.1171.6-72.2-96.4000108.3E63 V66 L67 I75 L128 H135 V158E63-F156 HydrophobicContact CG-CB 4.26Å; E63-F156 WeakPolarHBondContact CG-O 3.48Å; V66-F156 HydrophobicContact CG1-CD1 3.92Å; V66-F156 HydrophobicContact CG1-CE1 4.18Å; V66-F156 HydrophobicContact CG1-CG 4.35Å; L67-F156 HydrophobicContact CB-CD2 4.42Å; L67-F156 HydrophobicContact CD1-CD2 3.68Å; L67-F156 HydrophobicContact CD1-CE2 3.39Å; I75-F156 HydrophobicContact CD1-CZ 4.17Å; I75-F156 HydrophobicContact CG2-CE2 3.53Å; I75-F156 HydrophobicContact CG2-CZ 3.49Å; I75-F156 VanDerWaalsContact CG2-CZ 3.49Å; L128-F156 HydrophobicContact CD1-CE1 3.61Å; L128-F156 HydrophobicContact CD1-CZ 4.12Å; L128-F156 HydrophobicContact CD2-CE1 3.55Å; L128-F156 HydrophobicContact CD2-CZ 3.82Å; L128-F156 HydrophobicContact CG-CE1 4.23Å; H135-F156 AromaticContact CD2-CE1 4Å; F156-V158 PolarHBondContact O-N 3.09Å
157G61.2Low65Low15 Ų1553.5 Ų53.516%0.15529%0.285CS..  trans-52.6131.1174.600000109.1H135 D155 A159H135-G157 PolarHBondContact O-N 2.94Å; D155-G157 PolarHBondContact O-N 3.06Å; G157-A159 PolarHBondContact O-N 3.26Å
158V51Low62.1Low14 Ų1458.2 Ų58.29%0.08530%0.304CS..  trans-24.2108177.1179.80000111.1F28 D59 F156 G160 V173F28-V158 HydrophobicContact CE1-CG2 4.29Å; F28-V158 HydrophobicContact CE2-CG2 3.65Å; F28-V158 HydrophobicContact CZ-CG2 3.2Å; D59-V158 HydrophobicContact CB-CB 4.39Å; D59-V158 HydrophobicContact CB-CG1 3.4Å; D59-V158 VanDerWaalsContact CB-CG1 3.4Å; D59-V158 HydrophobicContact CB-CG2 4.2Å; D59-V158 WeakPolarHBondContact OD1-CG1 3.45Å; F156-V158 PolarHBondContact O-N 3.09Å; V158-G160 VanDerWaalsContact CG1-N 3.29Å; V158-G160 PolarHBondContact O-N 3.03Å; V158-V173 HydrophobicContact CB-CG1 4.26Å; V158-V173 HydrophobicContact CG2-CG1 4.25Å
159A39.1Very low59.6Low26 Ų2657 Ų5722%0.21529%0.294CS..  trans-71.725.717100000112.1Q62 R136 G157 Q161Q62-A159 HydrophobicContact CG-CB 3.86Å; R136-A159 VanDerWaalsContact CZ-CA 3.44Å; R136-A159 PolarHBondContact NH1-O 3.31Å; R136-A159 PolarHBondContact NH2-O 2.97Å; G157-A159 PolarHBondContact O-N 3.26Å; A159-Q161 PolarHBondContact O-N 2.8Å; A159-Q161 VanDerWaalsContact O-N 3.11Å
160G37Very low56.7Low16 Ų1666.9 Ų66.917%0.16534%0.34CS..  trans-63.2106165.700000109.1R136 V158 L162R136-G160 PolarHBondContact NH1-O 3.47Å; V158-G160 VanDerWaalsContact CG1-N 3.29Å; V158-G160 PolarHBondContact O-N 3.03Å; G160-L162 PolarHBondContact O-N 3.32Å
161Q36.8Very low53.8Low143 Ų14364.8 Ų64.867%0.66833%0.334SS*.  trans-49.9130.8156.6-163.8169.58.700106.3A159 T163A159-Q161 PolarHBondContact O-N 2.8Å; A159-Q161 VanDerWaalsContact O-N 3.11Å; Q161-T163 HydrophobicContact CB-CG2 4.06Å; Q161-T163 HydrophobicContact CG-CG2 4.19Å; Q161-T163 PolarHBondContact O-N 2.65Å
162L39.3Very low51.2Low60 Ų6069.2 Ų69.231%0.31435%0.353SS..  trans-61.880.6169.6-77.7143000107.2G160 V183 Q186G160-L162 PolarHBondContact O-N 3.32Å; L162-V183 HydrophobicContact CD1-CG1 4.31Å; L162-Q186 HydrophobicContact CD1-CG 4.31Å
163T37.6Very low48.6Very low66 Ų6672.2 Ų72.241%0.40537%0.373SS..  trans-85.8148.9174.155.10000108.6Q161 T165 Q166Q161-T163 HydrophobicContact CB-CG2 4.06Å; Q161-T163 HydrophobicContact CG-CG2 4.19Å; Q161-T163 PolarHBondContact O-N 2.65Å; T163-T165 PolarHBondContact O-N 2.78Å; T163-T165 PolarHBondContact OG1-OG1 3.48Å; T163-Q166 PolarHBondContact O-N 3.01Å
164D35.4Very low46.5Very low141 Ų14174.2 Ų74.275%0.75439%0.393SS*.THydrogen-bonded Turntrans-49.3-19.5-173.5-67.9-35.8000115.5
165T35.8Very low45.3Very low99 Ų9974.8 Ų74.861%0.60740%0.396SS*.THydrogen-bonded Turntrans-71.8-27.9176.5340000114.8T163T163-T165 PolarHBondContact O-N 2.78Å; T163-T165 PolarHBondContact OG1-OG1 3.48Å
166Q35.1Very low45.3Very low39 Ų3973 Ų7318%0.18239%0.387CS..G310 helixtrans-76.7-20.5179.9-77.2179.7-15.700113T163 K168 R169T163-Q166 PolarHBondContact O-N 3.01Å; Q166-K168 PolarHBondContact O-N 3Å; Q166-R169 PolarHBondContact O-N 3Å; Q166-R169 VanDerWaalsContact O-N 3.15Å; Q166-R169 VanDerWaalsContact O-O 3.08Å
167I38.5Very low46.3Very low105 Ų10573.1 Ų73.154%0.53839%0.387SS..G310 helixtrans-68.8-23.8177.2-58.5174.7000111.7R169I167-R169 VanDerWaalsContact C-N 3.26Å; I167-R169 PolarHBondContact O-N 3.05Å
168K33.6Very low47.9Very low197 Ų19773.3 Ų73.386%0.85738%0.384SS*.G310 helixtrans-76.1-10.7174.7-78.9-175.4177.6177.30113.7Q166Q166-K168 PolarHBondContact O-N 3Å
169R42.4Very low49.8Very low112 Ų11273.8 Ų73.842%0.42339%0.385SS..SBendtrans-107.7128.3178.3-64.4-179.7179156.9-1.8107.9D55 Q166 I167 T171D55-R169 VanDerWaalsContact CG-NH2 3.26Å; D55-R169 PolarHBondContact O-NH1 3.08Å; D55-R169 IonicContact OD1-CZ 2.75Å; D55-R169 IonicContact OD1-NE 3.61Å; D55-R169 IonicContact OD1-NH1 3.35Å; D55-R169 IonicContact OD1-NH2 2.84Å; D55-R169 PolarHBondContact OD1-NH2 3.25Å; D55-R169 IonicContact OD2-CZ 3.71Å; D55-R169 IonicContact OD2-NE 2.78Å; D55-R169 IonicContact OD2-NH2 3.87Å; Q166-R169 PolarHBondContact O-N 3Å; Q166-R169 VanDerWaalsContact O-N 3.15Å; Q166-R169 VanDerWaalsContact O-O 3.08Å; I167-R169 VanDerWaalsContact C-N 3.26Å; I167-R169 PolarHBondContact O-N 3.05Å; R169-T171 PolarHBondContact O-N 3.14Å
170E34.2Very low52.3Low208 Ų20872.6 Ų72.697%0.97238%0.375SS*.SBendtrans-65.36.6178.7-64.4-179.3156.500113.9F172E170-F172 PolarHBondContact O-N 3.03Å
171T38.7Very low54.9Low52 Ų5272 Ų7232%0.31937%0.369SS..  trans-93.988.9178.642.80000110.6R169 V173 T319R169-T171 PolarHBondContact O-N 3.14Å; T171-V173 PolarHBondContact O-N 2.87Å; T171-T319 HydrophobicContact CG2-CG2 3.61Å
172F42.6Very low57.4Low96 Ų9666 Ų6642%0.42134%0.34SS..  trans-67.9123.6168-172.6-93.6000109.7E170 P176 M179 L221E170-F172 PolarHBondContact O-N 3.03Å; F172-P176 HydrophobicContact CE1-CB 4.26Å; F172-M179 HydrophobicContact CE1-CE 4.09Å; F172-M179 HydrophobicContact CE1-SD 3.47Å; F172-M179 WeakPolarHBondContact CE1-SD 3.43Å; F172-M179 HydrophobicContact CZ-CE 3.64Å; F172-M179 HydrophobicContact CZ-SD 3.61Å; F172-L221 HydrophobicContact CD1-CD1 4.27Å; F172-L221 HydrophobicContact CD2-CD1 3.93Å; F172-L221 HydrophobicContact CE1-CD1 4.05Å; F172-L221 HydrophobicContact CE1-CD2 3.58Å; F172-L221 HydrophobicContact CE1-CG 4.39Å; F172-L221 HydrophobicContact CE2-CD1 3.68Å; F172-L221 HydrophobicContact CE2-CD2 4Å; F172-L221 HydrophobicContact CG-CD1 4.21Å; F172-L221 HydrophobicContact CZ-CD1 3.76Å; F172-L221 HydrophobicContact CZ-CD2 3.26Å; F172-L221 HydrophobicContact CZ-CG 4.15Å
173V42.9Very low59.7Low75 Ų7563.9 Ų63.946%0.45533%0.33SS..  trans-88.2123.2-177.6-175.40000109.7V158 T171V158-V173 HydrophobicContact CB-CG1 4.26Å; V158-V173 HydrophobicContact CG2-CG1 4.25Å; T171-V173 PolarHBondContact O-N 2.87Å
174G52.9Low61.9Low42 Ų4262.1 Ų62.143%0.43332%0.318SS..SBendtrans120158.317300000114.2P176G174-P176 WeakPolarHBondContact O-CD 3.42Å
175T65.4Low64Low17 Ų1760.9 Ų60.910%0.10431%0.307CS..  trans-88.7102.5170-31.70000107.3K139 F177 W178 F317K139-T175 PolarHBondContact NZ-OG1 2.95Å; K139-T175 VanDerWaalsContact NZ-OG1 3.09Å; T175-F177 HydrophobicContact CG2-CD2 3.94Å; T175-F177 HydrophobicContact CG2-CE2 4.2Å; T175-F177 PolarHBondContact O-N 3.3Å; T175-W178 HydrophobicContact CG2-CE3 3.96Å; T175-W178 HydrophobicContact CG2-CH2 4.38Å; T175-W178 HydrophobicContact CG2-CZ3 3.38Å; T175-W178 PolarHBondContact O-N 3.38Å; T175-F317 HydrophobicContact CG2-CD1 4.2Å; T175-F317 HydrophobicContact CG2-CE1 3.48Å; T175-F317 VanDerWaalsContact CG2-CE1 3.48Å; T175-F317 HydrophobicContact CG2-CE2 4.47Å; T175-F317 HydrophobicContact CG2-CZ 3.64Å
176P80.6Confident65.7Low4 Ų461 Ų613%0.02630%0.301CS..G310 helixtrans-64.7-18-158.224.3-34.9000114.9F172 G174 W178 M179 P217 V220 L221 I224F172-P176 HydrophobicContact CE1-CB 4.26Å; G174-P176 WeakPolarHBondContact O-CD 3.42Å; P176-W178 PolarHBondContact O-N 2.98Å; P176-M179 HydrophobicContact CB-SD 4.22Å; P176-M179 PolarHBondContact O-N 3.47Å; P176-M179 VanDerWaalsContact O-N 3.16Å; P176-P217 HydrophobicContact CG-CB 3.69Å; P176-V220 HydrophobicContact CB-CG1 4.27Å; P176-L221 HydrophobicContact CB-CD2 3.61Å; P176-L221 HydrophobicContact CB-CG 4.35Å; P176-I224 VanDerWaalsContact O-CD1 3.22Å; P176-I224 WeakPolarHBondContact O-CD1 3.36Å
177F91.5Very high67.2Low8 Ų861.9 Ų61.94%0.03531%0.312CS..G310 helixtrans-63.7-26.6-178.3-44.5-88.2000113.2T175 P210 N212 M215 P217 V220T175-F177 HydrophobicContact CG2-CD2 3.94Å; T175-F177 HydrophobicContact CG2-CE2 4.2Å; T175-F177 PolarHBondContact O-N 3.3Å; F177-P210 HydrophobicContact CB-CB 3.98Å; F177-P210 HydrophobicContact CB-CG 3.88Å; F177-P210 HydrophobicContact CG-CG 4.27Å; F177-N212 WeakPolarHBondContact CD1-O 3.08Å; F177-N212 WeakPolarHBondContact CE1-O 3.3Å; F177-M215 WeakPolarHBondContact CE1-O 3.33Å; F177-P217 HydrophobicContact CE2-CG 4.46Å; F177-P217 HydrophobicContact CZ-CG 4.17Å; F177-V220 HydrophobicContact CD1-CB 4.45Å; F177-V220 HydrophobicContact CD1-CG1 4.1Å; F177-V220 HydrophobicContact CD1-CG2 3.78Å; F177-V220 HydrophobicContact CE1-CB 4.47Å; F177-V220 HydrophobicContact CE1-CG2 3.54Å; F177-V220 HydrophobicContact CZ-CG2 4.46Å
178W94.6Very high68.6Low20 Ų2062 Ų628%0.07633%0.329CS..G310 helixtrans-95.7-5.4177.8-64.9-103.2000113.3I138 K139 T175 P176 S197 I200 E204 P210I138-W178 VanDerWaalsContact O-CD1 3.22Å; K139-W178 HydrophobicContact CB-CD2 3.94Å; K139-W178 HydrophobicContact CB-CG 4.07Å; K139-W178 HydrophobicContact CB-CZ2 4.12Å; T175-W178 HydrophobicContact CG2-CE3 3.96Å; T175-W178 HydrophobicContact CG2-CH2 4.38Å; T175-W178 HydrophobicContact CG2-CZ3 3.38Å; T175-W178 PolarHBondContact O-N 3.38Å; P176-W178 PolarHBondContact O-N 2.98Å; W178-S197 WeakPolarHBondContact O-CA 3.34Å; W178-S197 WeakPolarHBondContact O-CB 3.27Å; W178-S197 PolarHBondContact O-OG 3.24Å; W178-I200 HydrophobicContact CB-CG2 4.37Å; W178-I200 VanDerWaalsContact CD1-CG2 3.44Å; W178-I200 HydrophobicContact CD2-CG2 4.28Å; W178-I200 HydrophobicContact CG-CB 4.28Å; W178-I200 HydrophobicContact CG-CG2 3.78Å; W178-E204 VanDerWaalsContact CZ2-CD 3.42Å; W178-E204 HydrophobicContact CZ2-CG 4.29Å; W178-E204 VanDerWaalsContact CZ2-OE1 3.28Å; W178-E204 WeakPolarHBondContact CZ2-OE1 3.38Å; W178-E204 PolarHBondContact NE1-OE2 2.85Å; W178-P210 HydrophobicContact CD2-CB 4.44Å; W178-P210 HydrophobicContact CH2-CB 4.12Å; W178-P210 HydrophobicContact CH2-CG 3.48Å; W178-P210 VanDerWaalsContact CH2-CG 3.48Å; W178-P210 HydrophobicContact CZ2-CB 3.74Å; W178-P210 HydrophobicContact CZ2-CG 3.56Å; W178-P210 HydrophobicContact CZ3-CG 4.01Å
179M91.3Very high70.5Confident23 Ų2355.2 Ų55.211%0.11330%0.298CS..  trans-74.7137.4-174.2-67.5178.571.300111.7F172 P176 V183 I184 W196F172-M179 HydrophobicContact CE1-CE 4.09Å; F172-M179 HydrophobicContact CE1-SD 3.47Å; F172-M179 WeakPolarHBondContact CE1-SD 3.43Å; F172-M179 HydrophobicContact CZ-CE 3.64Å; F172-M179 HydrophobicContact CZ-SD 3.61Å; P176-M179 HydrophobicContact CB-SD 4.22Å; P176-M179 PolarHBondContact O-N 3.47Å; P176-M179 VanDerWaalsContact O-N 3.16Å; M179-V183 HydrophobicContact CE-CB 4.37Å; M179-V183 HydrophobicContact CE-CG1 3.6Å; M179-I184 HydrophobicContact CB-CD1 4.04Å; M179-I184 HydrophobicContact CB-CG1 3.83Å; M179-I184 HydrophobicContact CE-CG1 4.1Å; M179-I184 HydrophobicContact SD-CG1 4.44Å; M179-W196 PolarHBondContact O-NE1 3.06Å
180A92.1Very high72.5Confident1 Ų153.6 Ų53.61%0.00830%0.298CS..  trans-70.6149174.100000111.5E182 V183 I184 A193 W196A180-E182 VanDerWaalsContact C-N 3.28Å; A180-E182 VanDerWaalsContact CB-CD 3.49Å; A180-E182 VanDerWaalsContact CB-OE1 3.32Å; A180-E182 WeakPolarHBondContact CB-OE1 3.16Å; A180-E182 WeakPolarHBondContact CB-OE2 3.34Å; A180-E182 PolarHBondContact O-N 3.16Å; A180-V183 HydrophobicContact CB-CG2 4.02Å; A180-V183 WeakPolarHBondContact O-CB 3.26Å; A180-V183 PolarHBondContact O-N 3.13Å; A180-V183 VanDerWaalsContact O-N 3.07Å; A180-I184 PolarHBondContact O-N 3.39Å; A180-I184 VanDerWaalsContact O-N 3.16Å; A180-A193 HydrophobicContact CB-CB 4.25Å; A180-W196 VanDerWaalsContact CA-CD1 3.41Å; A180-W196 HydrophobicContact CB-CB 3.7Å; A180-W196 HydrophobicContact CB-CD2 4.33Å; A180-W196 HydrophobicContact CB-CG 3.69Å
181P92.3Very high75.1Confident5 Ų545.3 Ų45.33%0.03226%0.262CS..Hα-helixtrans-54.2-41.9-178.9-25.432.8000113.5V183 I184 Q185 W196 I224 K250P181-V183 VanDerWaalsContact C-N 3.31Å; P181-V183 PolarHBondContact O-N 2.86Å; P181-I184 PolarHBondContact O-N 2.87Å; P181-Q185 WeakPolarHBondContact O-CB 3.11Å; P181-Q185 VanDerWaalsContact O-CG 3.32Å; P181-Q185 WeakPolarHBondContact O-CG 3.44Å; P181-Q185 PolarHBondContact O-N 2.78Å; P181-W196 HydrophobicContact CG-CE3 4.32Å; P181-W196 HydrophobicContact CG-CH2 3.69Å; P181-W196 HydrophobicContact CG-CZ2 3.96Å; P181-W196 HydrophobicContact CG-CZ3 3.89Å; P181-I224 HydrophobicContact CB-CG2 4.34Å; P181-I224 HydrophobicContact CG-CG2 3.88Å; P181-K250 HydrophobicContact CG-CG 4.38Å
182E89.4Confident77.8Confident15 Ų1544.2 Ų44.27%0.0725%0.253CS..Hα-helixtrans-67.8-30.3-179.569.5-81-169.300112.9A180 Q186 S187 P252 R255A180-E182 VanDerWaalsContact C-N 3.28Å; A180-E182 VanDerWaalsContact CB-CD 3.49Å; A180-E182 VanDerWaalsContact CB-OE1 3.32Å; A180-E182 WeakPolarHBondContact CB-OE1 3.16Å; A180-E182 WeakPolarHBondContact CB-OE2 3.34Å; A180-E182 PolarHBondContact O-N 3.16Å; E182-Q186 PolarHBondContact O-N 3.32Å; E182-S187 WeakPolarHBondContact O-CB 3.49Å; E182-S187 PolarHBondContact O-N 2.98Å; E182-P252 HydrophobicContact CB-CG 4.47Å; E182-P252 HydrophobicContact CG-CG 4Å; E182-R255 IonicContact OE1-CZ 3.75Å; E182-R255 IonicContact OE1-NH1 3.38Å; E182-R255 PolarHBondContact OE1-NH1 3.05Å; E182-R255 IonicContact OE1-NH2 2.65Å; E182-R255 PolarHBondContact OE1-NH2 2.94Å; E182-R255 IonicContact OE2-CZ 2.86Å; E182-R255 IonicContact OE2-NH1 3.19Å; E182-R255 IonicContact OE2-NH2 3.47Å; E182-R255 PolarHBondContact OE2-NH2 3.27Å
183V86.6Confident80.3Confident17 Ų1739.9 Ų39.910%0.10324%0.235CC..Hα-helixtrans-70.1-43.4174.9-178.60000109.7L162 M179 A180 P181 Q185 Q186 Y189 A193L162-V183 HydrophobicContact CD1-CG1 4.31Å; M179-V183 HydrophobicContact CE-CB 4.37Å; M179-V183 HydrophobicContact CE-CG1 3.6Å; A180-V183 HydrophobicContact CB-CG2 4.02Å; A180-V183 WeakPolarHBondContact O-CB 3.26Å; A180-V183 PolarHBondContact O-N 3.13Å; A180-V183 VanDerWaalsContact O-N 3.07Å; P181-V183 VanDerWaalsContact C-N 3.31Å; P181-V183 PolarHBondContact O-N 2.86Å; V183-Q185 VanDerWaalsContact C-N 3.31Å; V183-Q185 PolarHBondContact O-N 3.47Å; V183-Q186 PolarHBondContact O-N 3.15Å; V183-Q186 VanDerWaalsContact O-N 3.15Å; V183-Y189 HydrophobicContact CG1-CD1 4.48Å; V183-Y189 HydrophobicContact CG1-CE1 4.31Å; V183-Y189 HydrophobicContact CG2-CD1 4.01Å; V183-Y189 HydrophobicContact CG2-CD2 4.02Å; V183-Y189 HydrophobicContact CG2-CE1 4.48Å; V183-Y189 HydrophobicContact CG2-CE2 4.5Å; V183-Y189 HydrophobicContact CG2-CG 3.75Å; V183-A193 HydrophobicContact CG2-CB 3.7Å
184I83.8Confident82.8Confident28 Ų2836.3 Ų36.314%0.14421%0.214CC..Hα-helixtrans-63-39.8176.7-65169.5000111.1M179 A180 P181 Q186 L221 I224 P225M179-I184 HydrophobicContact CB-CD1 4.04Å; M179-I184 HydrophobicContact CB-CG1 3.83Å; M179-I184 HydrophobicContact CE-CG1 4.1Å; M179-I184 HydrophobicContact SD-CG1 4.44Å; A180-I184 PolarHBondContact O-N 3.39Å; A180-I184 VanDerWaalsContact O-N 3.16Å; P181-I184 PolarHBondContact O-N 2.87Å; I184-Q186 PolarHBondContact O-N 2.79Å; I184-L221 HydrophobicContact CD1-CD2 4.36Å; I184-L221 HydrophobicContact CG1-CD2 4.17Å; I184-L221 HydrophobicContact CG2-CB 4.27Å; I184-L221 HydrophobicContact CG2-CD2 4.21Å; I184-L221 WeakPolarHBondContact CG2-O 3.31Å; I184-I224 HydrophobicContact CD1-CB 3.72Å; I184-I224 HydrophobicContact CD1-CD1 3.81Å; I184-I224 HydrophobicContact CD1-CG1 4.34Å; I184-I224 HydrophobicContact CD1-CG2 3.69Å; I184-P225 HydrophobicContact CB-CG 4.29Å; I184-P225 HydrophobicContact CG2-CG 3.86Å
185Q80.3Confident85Confident115 Ų11534.3 Ų34.354%0.53719%0.193SC..THydrogen-bonded Turntrans-78.66179.1-68.7177.4-44.100113.4P181 V183 S187 P225P181-Q185 WeakPolarHBondContact O-CB 3.11Å; P181-Q185 VanDerWaalsContact O-CG 3.32Å; P181-Q185 WeakPolarHBondContact O-CG 3.44Å; P181-Q185 PolarHBondContact O-N 2.78Å; V183-Q185 VanDerWaalsContact C-N 3.31Å; V183-Q185 PolarHBondContact O-N 3.47Å; Q185-S187 PolarHBondContact O-N 3.33Å; Q185-S187 VanDerWaalsContact O-N 3.08Å; Q185-P225 HydrophobicContact CG-CB 4.16Å; Q185-P225 HydrophobicContact CG-CG 4.19Å
186Q71.1Confident86.5Confident103 Ų10333.7 Ų33.748%0.48119%0.189SC..THydrogen-bonded Turntrans53.629-178.5-57.9179-12.200113.1L162 E182 V183 I184L162-Q186 HydrophobicContact CD1-CG 4.31Å; E182-Q186 PolarHBondContact O-N 3.32Å; V183-Q186 PolarHBondContact O-N 3.15Å; V183-Q186 VanDerWaalsContact O-N 3.15Å; I184-Q186 PolarHBondContact O-N 2.79Å
187S66.3Low87.3Confident57 Ų5733.8 Ų33.840%0.39919%0.189SC..  trans-75.6157.5171.8-63.10000109.3E182 Q185 Y189E182-S187 WeakPolarHBondContact O-CB 3.49Å; E182-S187 PolarHBondContact O-N 2.98Å; Q185-S187 PolarHBondContact O-N 3.33Å; Q185-S187 VanDerWaalsContact O-N 3.08Å; S187-Y189 PolarHBondContact O-N 3.03Å; S187-Y189 VanDerWaalsContact O-N 3.13Å
188A68.4Low87.7Confident108 Ų10833.4 Ų33.489%0.89319%0.188SC*.  trans-56.5123.1168.500000108.6
189Y73.5Confident87.9Confident54 Ų5432.4 Ų32.421%0.21218%0.184CC..  trans-123.6155.7-179.468.5-94.3000110.4I134 R136 V183 S187 A193I134-Y189 HydrophobicContact CD1-CD2 4.48Å; I134-Y189 HydrophobicContact CD1-CE2 4.43Å; R136-Y189 HydrophobicContact CG-CE2 4.47Å; R136-Y189 VanDerWaalsContact CZ-OH 3.27Å; R136-Y189 PolarHBondContact NE-OH 2.9Å; R136-Y189 PolarHBondContact NH1-OH 3.27Å; V183-Y189 HydrophobicContact CG1-CD1 4.48Å; V183-Y189 HydrophobicContact CG1-CE1 4.31Å; V183-Y189 HydrophobicContact CG2-CD1 4.01Å; V183-Y189 HydrophobicContact CG2-CD2 4.02Å; V183-Y189 HydrophobicContact CG2-CE1 4.48Å; V183-Y189 HydrophobicContact CG2-CE2 4.5Å; V183-Y189 HydrophobicContact CG2-CG 3.75Å; S187-Y189 PolarHBondContact O-N 3.03Å; S187-Y189 VanDerWaalsContact O-N 3.13Å; Y189-A193 HydrophobicContact CD2-CB 4.02Å
190D83.1Confident88.2Confident78 Ų7831.4 Ų31.442%0.41718%0.179SC..  trans-129.6-164.1-178.770.22.9000110.6K192 A193D190-K192 PolarHBondContact O-N 3.39Å; D190-K192 WeakPolarHBondContact OD1-CB 3.49Å; D190-K192 WeakPolarHBondContact OD1-CG 3.42Å; D190-K192 PolarHBondContact OD1-N 3.22Å; D190-A193 WeakPolarHBondContact O-CB 3.5Å; D190-A193 PolarHBondContact O-N 3.39Å
191S90.1Very high88.5Confident33 Ų3331.4 Ų31.423%0.23118%0.179CC..THydrogen-bonded Turntrans-50.6-21.5174.958.70000115.5H129 A193 D194H129-S191 PolarHBondContact CE1-O 3.46Å; H129-S191 VanDerWaalsContact CE1-O 3.24Å; S191-A193 PolarHBondContact O-N 2.99Å; S191-D194 PolarHBondContact O-N 2.98Å
192K95.9Very high88.8Confident30 Ų3031.1 Ų31.113%0.1318%0.177CC..Hα-helixtrans-70.4-17.4178.8-58.1-58.9-167.973.20112.8D190 D194 I195 W196 P252 R255D190-K192 PolarHBondContact O-N 3.39Å; D190-K192 WeakPolarHBondContact OD1-CB 3.49Å; D190-K192 WeakPolarHBondContact OD1-CG 3.42Å; D190-K192 PolarHBondContact OD1-N 3.22Å; K192-D194 VanDerWaalsContact C-N 3.34Å; K192-I195 HydrophobicContact CD-CG1 4.41Å; K192-I195 PolarHBondContact O-N 3.28Å; K192-W196 PolarHBondContact O-N 3.16Å; K192-P252 HydrophobicContact CB-CB 3.84Å; K192-P252 HydrophobicContact CG-CB 4.38Å; K192-P252 WeakPolarHBondContact CG-O 3.45Å; K192-P252 PolarHBondContact NZ-O 3.03Å; K192-P252 VanDerWaalsContact NZ-O 3.1Å; K192-R255 HydrophobicContact CD-CB 4.38Å; K192-R255 WeakPolarHBondContact CE-O 3.39Å; K192-R255 PolarHBondContact NZ-O 3.23Å; K192-R255 PolarHBondContact O-NH1 3.27Å
193A93.8Very high89.3Confident5 Ų530.6 Ų30.64%0.04118%0.175CC..Hα-helixtrans-61.3-43.717000000111.1A180 V183 Y189 D190 S191 I195 W196 S197A180-A193 HydrophobicContact CB-CB 4.25Å; V183-A193 HydrophobicContact CG2-CB 3.7Å; Y189-A193 HydrophobicContact CD2-CB 4.02Å; D190-A193 WeakPolarHBondContact O-CB 3.5Å; D190-A193 PolarHBondContact O-N 3.39Å; S191-A193 PolarHBondContact O-N 2.99Å; A193-I195 PolarHBondContact O-N 3.38Å; A193-W196 WeakPolarHBondContact O-CB 3.39Å; A193-W196 PolarHBondContact O-N 3.28Å; A193-W196 VanDerWaalsContact O-N 3.13Å; A193-S197 PolarHBondContact O-N 3.26Å; A193-S197 VanDerWaalsContact O-N 3.08Å; A193-S197 PolarHBondContact O-OG 2.86Å
194D95.5Very high89.8Confident0 Ų030 Ų300%017%0.171CC..Hα-helixtrans-62.9-31.3176.6-69.8-24.3000111.9L125 H129 I134 H135 R136 I138 S191 K192 S197 L198L125-D194 HydrophobicContact CD1-CB 4.41Å; L125-D194 HydrophobicContact CD2-CB 3.88Å; H129-D194 IonicContact CD2-OD2 3.71Å; H129-D194 IonicContact CE1-OD2 3.89Å; H129-D194 IonicContact NE2-OD2 3.83Å; H129-D194 PolarHBondContact NE2-OD2 3.27Å; I134-D194 WeakPolarHBondContact CG2-OD2 3.17Å; H135-D194 PolarHBondContact N-OD1 3.42Å; H135-D194 PolarHBondContact N-OD2 3.06Å; R136-D194 PolarHBondContact N-OD1 2.94Å; I138-D194 HydrophobicContact CG1-CB 4.37Å; S191-D194 PolarHBondContact O-N 2.98Å; K192-D194 VanDerWaalsContact C-N 3.34Å; D194-S197 PolarHBondContact O-N 3.28Å; D194-L198 VanDerWaalsContact O-CB 3.31Å; D194-L198 WeakPolarHBondContact O-CB 3.39Å; D194-L198 PolarHBondContact O-N 2.87Å
195I98.6Very high90.5Very high0 Ų028.6 Ų28.60%016%0.164CC..Hα-helixtrans-68.8-36.7177.4-55.4-58.3000111.4K192 A193 L198 G199 C247 R255 A258 L261K192-I195 HydrophobicContact CD-CG1 4.41Å; K192-I195 PolarHBondContact O-N 3.28Å; A193-I195 PolarHBondContact O-N 3.38Å; I195-L198 WeakPolarHBondContact O-CB 3.49Å; I195-G199 PolarHBondContact O-N 2.97Å; I195-G199 VanDerWaalsContact O-N 3.08Å; I195-C247 HydrophobicContact CG2-CB 4.26Å; I195-C247 WeakPolarHBondContact O-CB 3.29Å; I195-R255 HydrophobicContact CB-CB 4.49Å; I195-R255 HydrophobicContact CG2-CB 4.09Å; I195-A258 HydrophobicContact CD1-CB 4.13Å; I195-L261 HydrophobicContact CD1-CD1 4.31Å; I195-L261 HydrophobicContact CG2-CD1 3.84Å
196W98.2Very high91.4Very high3 Ų323.7 Ų23.71%0.01114%0.142CC..Hα-helixtrans-63.7-49.8171.1173.8-79.4000110.8M179 A180 P181 K192 A193 L198 G199 I200 I224 P229 L248M179-W196 PolarHBondContact O-NE1 3.06Å; A180-W196 VanDerWaalsContact CA-CD1 3.41Å; A180-W196 HydrophobicContact CB-CB 3.7Å; A180-W196 HydrophobicContact CB-CD2 4.33Å; A180-W196 HydrophobicContact CB-CG 3.69Å; P181-W196 HydrophobicContact CG-CE3 4.32Å; P181-W196 HydrophobicContact CG-CH2 3.69Å; P181-W196 HydrophobicContact CG-CZ2 3.96Å; P181-W196 HydrophobicContact CG-CZ3 3.89Å; K192-W196 PolarHBondContact O-N 3.16Å; A193-W196 WeakPolarHBondContact O-CB 3.39Å; A193-W196 PolarHBondContact O-N 3.28Å; A193-W196 VanDerWaalsContact O-N 3.13Å; W196-L198 VanDerWaalsContact C-N 3.26Å; W196-L198 PolarHBondContact O-N 3.45Å; W196-G199 WeakPolarHBondContact O-CA 3.35Å; W196-G199 PolarHBondContact O-N 3.31Å; W196-I200 PolarHBondContact O-N 3.47Å; W196-I224 HydrophobicContact CZ2-CG2 4.04Å; W196-P229 HydrophobicContact CH2-CB 4.26Å; W196-P229 HydrophobicContact CZ3-CB 4.48Å; W196-L248 HydrophobicContact CD2-CD2 3.83Å; W196-L248 HydrophobicContact CE3-CD2 4.07Å; W196-L248 HydrophobicContact CG-CD2 4.21Å; W196-L248 HydrophobicContact CZ2-CD2 4.35Å; W196-L248 HydrophobicContact CZ3-CB 4.39Å; W196-L248 HydrophobicContact CZ3-CD2 4.43Å; W196-L248 WeakPolarHBondContact O-CD2 3.3Å
197S97.5Very high92.7Very high6 Ų623 Ų234%0.04214%0.138CC..Hα-helixtrans-58.1-40.2178.6-57.80000111.6W178 A193 D194 G199 I200 T201W178-S197 WeakPolarHBondContact O-CA 3.34Å; W178-S197 WeakPolarHBondContact O-CB 3.27Å; W178-S197 PolarHBondContact O-OG 3.24Å; A193-S197 PolarHBondContact O-N 3.26Å; A193-S197 VanDerWaalsContact O-N 3.08Å; A193-S197 PolarHBondContact O-OG 2.86Å; D194-S197 PolarHBondContact O-N 3.28Å; S197-G199 VanDerWaalsContact C-N 3.33Å; S197-G199 PolarHBondContact O-N 2.96Å; S197-I200 WeakPolarHBondContact O-CB 3.46Å; S197-I200 PolarHBondContact O-N 2.77Å; S197-I200 VanDerWaalsContact O-N 3.13Å; S197-T201 PolarHBondContact O-N 3.14Å; S197-T201 PolarHBondContact O-OG1 3.08Å
198L98.7Very high94.1Very high0 Ų021.9 Ų21.90%014%0.136CC..Hα-helixtrans-58-41.2171179.268.4000112.8L118 I121 L122 L125 D194 I195 W196 I200 T201 A202 F243 L261L118-L198 HydrophobicContact CD2-CD1 3.58Å; L118-L198 HydrophobicContact CD2-CG 4.4Å; I121-L198 HydrophobicContact CB-CD1 4.29Å; I121-L198 HydrophobicContact CG2-CD1 3.51Å; L122-L198 HydrophobicContact CD2-CD2 3.38Å; L122-L198 HydrophobicContact CG-CD2 3.9Å; L125-L198 HydrophobicContact CD1-CB 4.34Å; L125-L198 HydrophobicContact CD1-CD2 4.17Å; D194-L198 VanDerWaalsContact O-CB 3.31Å; D194-L198 WeakPolarHBondContact O-CB 3.39Å; D194-L198 PolarHBondContact O-N 2.87Å; I195-L198 WeakPolarHBondContact O-CB 3.49Å; W196-L198 VanDerWaalsContact C-N 3.26Å; W196-L198 PolarHBondContact O-N 3.45Å; L198-I200 VanDerWaalsContact C-N 3.32Å; L198-T201 PolarHBondContact O-N 3.38Å; L198-A202 WeakPolarHBondContact O-CB 3.45Å; L198-A202 PolarHBondContact O-N 3.31Å; L198-F243 HydrophobicContact CD2-CZ 4.31Å; L198-L261 HydrophobicContact CD2-CD1 4.11Å
199G98.8Very high95.4Very high0 Ų021.8 Ų21.80%012%0.117CC..Hα-helixtrans-61.6-40.4174.900000112.4I195 W196 S197 A202 I203I195-G199 PolarHBondContact O-N 2.97Å; I195-G199 VanDerWaalsContact O-N 3.08Å; W196-G199 WeakPolarHBondContact O-CA 3.35Å; W196-G199 PolarHBondContact O-N 3.31Å; S197-G199 VanDerWaalsContact C-N 3.33Å; S197-G199 PolarHBondContact O-N 2.96Å; G199-A202 PolarHBondContact O-N 3.31Å; G199-I203 PolarHBondContact O-N 3.22Å
200I98.6Very high96.5Very high2 Ų219.8 Ų19.81%0.0111%0.11CC..Hα-helixtrans-67.6-45.3174-59.2-60000110.9W178 W196 S197 L198 A202 I203 E204 P210 P211 P230 L248W178-I200 HydrophobicContact CB-CG2 4.37Å; W178-I200 VanDerWaalsContact CD1-CG2 3.44Å; W178-I200 HydrophobicContact CD2-CG2 4.28Å; W178-I200 HydrophobicContact CG-CB 4.28Å; W178-I200 HydrophobicContact CG-CG2 3.78Å; W196-I200 PolarHBondContact O-N 3.47Å; S197-I200 WeakPolarHBondContact O-CB 3.46Å; S197-I200 PolarHBondContact O-N 2.77Å; S197-I200 VanDerWaalsContact O-N 3.13Å; L198-I200 VanDerWaalsContact C-N 3.32Å; I200-A202 PolarHBondContact O-N 2.61Å; I200-I203 WeakPolarHBondContact O-CB 3.46Å; I200-I203 PolarHBondContact O-N 3.05Å; I200-E204 PolarHBondContact O-N 2.72Å; I200-P210 HydrophobicContact CG2-CB 3.75Å; I200-P211 HydrophobicContact CD1-CG 4.15Å; I200-P230 HydrophobicContact CD1-CG 4.14Å; I200-L248 HydrophobicContact CD1-CD1 4.2Å; I200-L248 HydrophobicContact CD1-CD2 3.62Å; I200-L248 HydrophobicContact CG1-CD2 3.91Å
201T98.6Very high97.1Very high0 Ų017.2 Ų17.20%010%0.098CC..Hα-helixtrans-59.7-35.6175.1-53.40000111.8I138 K139 S197 L198 I203 E204 L205I138-T201 PolarHBondContact O-OG1 2.84Å; K139-T201 WeakPolarHBondContact CA-OG1 3.39Å; S197-T201 PolarHBondContact O-N 3.14Å; S197-T201 PolarHBondContact O-OG1 3.08Å; L198-T201 PolarHBondContact O-N 3.38Å; T201-I203 VanDerWaalsContact C-N 3.32Å; T201-I203 PolarHBondContact O-N 3.12Å; T201-E204 WeakPolarHBondContact O-CB 3.44Å; T201-E204 PolarHBondContact O-N 3.3Å; T201-L205 HydrophobicContact CG2-CD1 4.22Å; T201-L205 HydrophobicContact CG2-CG 4.28Å; T201-L205 WeakPolarHBondContact O-CB 3.47Å; T201-L205 VanDerWaalsContact O-CG 3.23Å; T201-L205 WeakPolarHBondContact O-CG 3.27Å; T201-L205 PolarHBondContact O-N 2.75Å
202A98.8Very high97.2Very high0 Ų017.6 Ų17.60%010%0.098CC..Hα-helixtrans-63.4-38.2174.700000112.2L118 L198 G199 I200 A206 F240 F243 T244L118-A202 HydrophobicContact CD1-CB 3.88Å; L118-A202 HydrophobicContact CD2-CB 4.03Å; L198-A202 WeakPolarHBondContact O-CB 3.45Å; L198-A202 PolarHBondContact O-N 3.31Å; G199-A202 PolarHBondContact O-N 3.31Å; I200-A202 PolarHBondContact O-N 2.61Å; A202-A206 WeakPolarHBondContact O-CB 3.46Å; A202-A206 PolarHBondContact O-N 3.47Å; A202-F240 HydrophobicContact CB-CE2 4.17Å; A202-F240 WeakPolarHBondContact O-CZ 3.21Å; A202-F243 HydrophobicContact CB-CD1 4.45Å; A202-F243 HydrophobicContact CB-CE1 4.22Å; A202-T244 HydrophobicContact CB-CG2 3.96Å
203I98.7Very high97Very high3 Ų316.9 Ų16.92%0.01510%0.096CC..Hα-helixtrans-69-43.8173.1-64.1173.8000110.7G199 I200 T201 L205 A206 K207 P211 P230 L232 T244 L248G199-I203 PolarHBondContact O-N 3.22Å; I200-I203 WeakPolarHBondContact O-CB 3.46Å; I200-I203 PolarHBondContact O-N 3.05Å; T201-I203 VanDerWaalsContact C-N 3.32Å; T201-I203 PolarHBondContact O-N 3.12Å; I203-L205 PolarHBondContact O-N 3.33Å; I203-A206 WeakPolarHBondContact O-CB 3.49Å; I203-A206 PolarHBondContact O-N 3.02Å; I203-K207 HydrophobicContact CG2-CD 3.99Å; I203-K207 HydrophobicContact CG2-CG 4.43Å; I203-K207 WeakPolarHBondContact O-CB 3.37Å; I203-K207 PolarHBondContact O-N 3.43Å; I203-P211 HydrophobicContact CB-CG 4.49Å; I203-P211 HydrophobicContact CD1-CG 3.94Å; I203-P211 HydrophobicContact CG2-CG 4.07Å; I203-P230 HydrophobicContact CD1-CB 4.15Å; I203-L232 HydrophobicContact CG1-CB 4.42Å; I203-L232 HydrophobicContact CG1-CD1 4.36Å; I203-L232 HydrophobicContact CG2-CD1 4.48Å; I203-T244 HydrophobicContact CG1-CG2 4.15Å; I203-L248 HydrophobicContact CD1-CD1 3.64Å
204E98.4Very high96.7Very high4 Ų423.3 Ų23.32%0.01913%0.13CC..Hα-helixtrans-56.1-48176.2178.6-170-165.500111.6A140 W178 I200 T201 A206 K207 G208 E209A140-E204 HydrophobicContact CB-CG 4.09Å; A140-E204 VanDerWaalsContact CB-OE1 3.25Å; A140-E204 WeakPolarHBondContact CB-OE1 3.49Å; A140-E204 WeakPolarHBondContact CB-OE2 3.39Å; A140-E204 PolarHBondContact N-OE1 3.25Å; A140-E204 PolarHBondContact N-OE2 3.46Å; W178-E204 VanDerWaalsContact CZ2-CD 3.42Å; W178-E204 HydrophobicContact CZ2-CG 4.29Å; W178-E204 VanDerWaalsContact CZ2-OE1 3.28Å; W178-E204 WeakPolarHBondContact CZ2-OE1 3.38Å; W178-E204 PolarHBondContact NE1-OE2 2.85Å; I200-E204 PolarHBondContact O-N 2.72Å; T201-E204 WeakPolarHBondContact O-CB 3.44Å; T201-E204 PolarHBondContact O-N 3.3Å; E204-A206 PolarHBondContact O-N 3.42Å; E204-K207 PolarHBondContact O-N 3.3Å; E204-G208 CarbonylContact O-C 3.49Å; E204-G208 VanDerWaalsContact O-CA 3.27Å; E204-G208 WeakPolarHBondContact O-CA 3.15Å; E204-G208 PolarHBondContact O-N 3.06Å; E204-E209 WeakPolarHBondContact CA-O 3.23Å
205L98.6Very high96.4Very high0 Ų024.5 Ų24.50%014%0.136CC..Hα-helixtrans-63.7-26.9176.8-67.7172.9000113A100 F109 I114 M117 L118 A140 T201 I203A100-L205 HydrophobicContact CB-CD2 3.82Å; F109-L205 HydrophobicContact CD2-CB 4.4Å; F109-L205 HydrophobicContact CD2-CD2 4.18Å; F109-L205 WeakPolarHBondContact CD2-O 3.37Å; F109-L205 HydrophobicContact CE2-CD2 3.8Å; I114-L205 HydrophobicContact CG1-CB 4.2Å; I114-L205 HydrophobicContact CG2-CB 4.16Å; I114-L205 HydrophobicContact CG2-CD1 4.37Å; M117-L205 HydrophobicContact CE-CD1 4.45Å; M117-L205 HydrophobicContact CE-CD2 4.14Å; L118-L205 HydrophobicContact CD2-CD1 4.16Å; L118-L205 HydrophobicContact CG-CD1 4.38Å; A140-L205 HydrophobicContact CB-CD2 3.99Å; T201-L205 HydrophobicContact CG2-CD1 4.22Å; T201-L205 HydrophobicContact CG2-CG 4.28Å; T201-L205 WeakPolarHBondContact O-CB 3.47Å; T201-L205 VanDerWaalsContact O-CG 3.23Å; T201-L205 WeakPolarHBondContact O-CG 3.27Å; T201-L205 PolarHBondContact O-N 2.75Å; I203-L205 PolarHBondContact O-N 3.33Å
206A98.4Very high95.7Very high11 Ų1129.5 Ų29.59%0.09116%0.159CC..Hα-helixtrans-84.6-32.3179.500000113.1I114 A202 I203 E204 L232 F236 F240I114-A206 HydrophobicContact CD1-CB 4.08Å; A202-A206 WeakPolarHBondContact O-CB 3.46Å; A202-A206 PolarHBondContact O-N 3.47Å; I203-A206 WeakPolarHBondContact O-CB 3.49Å; I203-A206 PolarHBondContact O-N 3.02Å; E204-A206 PolarHBondContact O-N 3.42Å; A206-L232 HydrophobicContact CB-CD1 3.9Å; A206-F236 HydrophobicContact CB-CE1 3.9Å; A206-F236 HydrophobicContact CB-CE2 4.49Å; A206-F236 HydrophobicContact CB-CZ 3.81Å; A206-F240 HydrophobicContact CB-CE1 3.74Å; A206-F240 HydrophobicContact CB-CZ 3.93Å
207K97.4Very high95Very high89 Ų8931.8 Ų31.839%0.38717%0.174SC..Hα-helixtrans-115.5-10.8-170.5-68.4-171.2169.8-179.30114.7I203 E204 E209 T233I203-K207 HydrophobicContact CG2-CD 3.99Å; I203-K207 HydrophobicContact CG2-CG 4.43Å; I203-K207 WeakPolarHBondContact O-CB 3.37Å; I203-K207 PolarHBondContact O-N 3.43Å; E204-K207 PolarHBondContact O-N 3.3Å; K207-E209 VanDerWaalsContact C-N 3.28Å; K207-T233 WeakPolarHBondContact CE-O 3.22Å; K207-T233 PolarHBondContact NZ-O 3.38Å; K207-T233 PolarHBondContact NZ-OG1 3.35Å
208G96.3Very high94.2Very high34 Ų3437.3 Ų37.335%0.35120%0.201SC..SBendtrans89.7-19.8-173.600000114E204E204-G208 CarbonylContact O-C 3.49Å; E204-G208 VanDerWaalsContact O-CA 3.27Å; E204-G208 WeakPolarHBondContact O-CA 3.15Å; E204-G208 PolarHBondContact O-N 3.06Å
209E95.4Very high93.6Very high105 Ų10545 Ų4549%0.49123%0.23SC..SBendtrans-145.9151.6-175.260.5-178.8172.400111.9E204 K207 S213E204-E209 WeakPolarHBondContact CA-O 3.23Å; K207-E209 VanDerWaalsContact C-N 3.28Å; E209-S213 WeakPolarHBondContact OE2-CB 3.44Å; E209-S213 PolarHBondContact OE2-OG 2.86Å
210P96.3Very high93.1Very high12 Ų1245 Ų458%0.07823%0.23CC..  trans-70.3163174.735-41.1000111.4F177 W178 I200 N212 S213F177-P210 HydrophobicContact CB-CB 3.98Å; F177-P210 HydrophobicContact CB-CG 3.88Å; F177-P210 HydrophobicContact CG-CG 4.27Å; W178-P210 HydrophobicContact CD2-CB 4.44Å; W178-P210 HydrophobicContact CH2-CB 4.12Å; W178-P210 HydrophobicContact CH2-CG 3.48Å; W178-P210 VanDerWaalsContact CH2-CG 3.48Å; W178-P210 HydrophobicContact CZ2-CB 3.74Å; W178-P210 HydrophobicContact CZ2-CG 3.56Å; W178-P210 HydrophobicContact CZ3-CG 4.01Å; I200-P210 HydrophobicContact CG2-CB 3.75Å; P210-N212 PolarHBondContact O-N 2.82Å; P210-S213 PolarHBondContact O-N 3.29Å
211P95.9Very high92.5Very high25 Ų2546.5 Ų46.516%0.16224%0.237CC..THydrogen-bonded Turntrans-57.2140.9171-21.233.6000112.1I200 I203 S213 P230I200-P211 HydrophobicContact CD1-CG 4.15Å; I203-P211 HydrophobicContact CB-CG 4.49Å; I203-P211 HydrophobicContact CD1-CG 3.94Å; I203-P211 HydrophobicContact CG2-CG 4.07Å; P211-S213 VanDerWaalsContact C-N 3.25Å; P211-S213 PolarHBondContact O-N 3.45Å; P211-P230 HydrophobicContact CB-CB 3.85Å; P211-P230 HydrophobicContact CB-CG 3.91Å; P211-P230 HydrophobicContact CG-CB 3.58Å; P211-P230 HydrophobicContact CG-CG 3.89Å
212N92.8Very high91.9Very high41 Ų4153.2 Ų53.222%0.21927%0.267CS..THydrogen-bonded Turntrans64.423178.5-43.5-61.8000114.2F177 P210 D214 M215 V220F177-N212 WeakPolarHBondContact CD1-O 3.08Å; F177-N212 WeakPolarHBondContact CE1-O 3.3Å; P210-N212 PolarHBondContact O-N 2.82Å; N212-D214 PolarHBondContact O-N 3.45Å; N212-M215 HydrophobicContact CB-CB 4.2Å; N212-M215 HydrophobicContact CB-CG 3.99Å; N212-M215 HydrophobicContact CB-SD 3.73Å; N212-M215 WeakPolarHBondContact O-CB 3.45Å; N212-M215 PolarHBondContact O-N 3.32Å; N212-V220 HydrophobicContact CB-CG2 4.38Å
213S91.1Very high91.5Very high14 Ų1456.2 Ų56.210%0.09828%0.281CS..THydrogen-bonded Turntrans-53.1-31.9176.450.70000113E209 P210 P211 M215 W315E209-S213 WeakPolarHBondContact OE2-CB 3.44Å; E209-S213 PolarHBondContact OE2-OG 2.86Å; P210-S213 PolarHBondContact O-N 3.29Å; P211-S213 VanDerWaalsContact C-N 3.25Å; P211-S213 PolarHBondContact O-N 3.45Å; S213-M215 VanDerWaalsContact C-N 3.27Å; S213-M215 PolarHBondContact O-N 2.92Å; S213-W315 WeakPolarHBondContact O-CH2 3.34Å
214D88.9Confident91.2Very high140 Ų14056.8 Ų56.875%0.74928%0.284SS*.THydrogen-bonded Turntrans-72.9-13.7176.166.6-42.2000114.1N212N212-D214 PolarHBondContact O-N 3.45Å
215M88.4Confident90.8Very high25 Ų2557.8 Ų57.812%0.12329%0.291CS..SBendtrans-86.6140.7-179.9-65.9-174.552.100112.3F177 N212 S213 R219 V220 H223F177-M215 WeakPolarHBondContact CE1-O 3.33Å; N212-M215 HydrophobicContact CB-CB 4.2Å; N212-M215 HydrophobicContact CB-CG 3.99Å; N212-M215 HydrophobicContact CB-SD 3.73Å; N212-M215 WeakPolarHBondContact O-CB 3.45Å; N212-M215 PolarHBondContact O-N 3.32Å; S213-M215 VanDerWaalsContact C-N 3.27Å; S213-M215 PolarHBondContact O-N 2.92Å; M215-R219 HydrophobicContact CE-CB 3.85Å; M215-V220 HydrophobicContact CB-CG2 3.73Å; M215-H223 HydrophobicContact CE-CB 3.98Å
216H84.9Confident90.5Very high105 Ų10565.7 Ų65.749%0.48633%0.325SS..  trans-56.6132.4172.5-172.2-77.3000111.3M218 R219 V220H216-M218 VanDerWaalsContact C-N 3.33Å; H216-M218 VanDerWaalsContact CE1-CE 3.43Å; H216-M218 WeakPolarHBondContact CE1-CE 3.42Å; H216-M218 PolarHBondContact ND1-N 3.38Å; H216-M218 PolarHBondContact O-N 3.35Å; H216-M218 VanDerWaalsContact O-N 3.12Å; H216-R219 HydrophobicContact CB-CG 4.39Å; H216-R219 WeakPolarHBondContact O-CA 3.25Å; H216-R219 WeakPolarHBondContact O-CB 3.28Å; H216-R219 PolarHBondContact O-N 3.41Å; H216-V220 PolarHBondContact O-N 2.97Å
217P81.9Confident90.3Very high51 Ų5166.5 Ų66.533%0.33133%0.33SS..Hα-helixtrans-47-46.3-175.9-34.337.3000115.1P176 F177 R219 V220 L221P176-P217 HydrophobicContact CG-CB 3.69Å; F177-P217 HydrophobicContact CE2-CG 4.46Å; F177-P217 HydrophobicContact CZ-CG 4.17Å; P217-R219 VanDerWaalsContact C-N 3.29Å; P217-R219 PolarHBondContact O-N 3.08Å; P217-V220 WeakPolarHBondContact O-CB 3.48Å; P217-V220 PolarHBondContact O-N 3.27Å; P217-V220 VanDerWaalsContact O-N 3.1Å; P217-L221 PolarHBondContact O-N 3.19Å
218M81.3Confident90.2Very high123 Ų12367.7 Ų67.761%0.60635%0.347SS*.Hα-helixtrans-59.6-34176.2-68.1-167.7-72.600114H216 V220 F222H216-M218 VanDerWaalsContact C-N 3.33Å; H216-M218 VanDerWaalsContact CE1-CE 3.43Å; H216-M218 WeakPolarHBondContact CE1-CE 3.42Å; H216-M218 PolarHBondContact ND1-N 3.38Å; H216-M218 PolarHBondContact O-N 3.35Å; H216-M218 VanDerWaalsContact O-N 3.12Å; M218-V220 VanDerWaalsContact C-N 3.32Å; M218-F222 VanDerWaalsContact O-CD2 3.25Å; M218-F222 WeakPolarHBondContact O-CD2 3.25Å
219R86.8Confident90.2Very high162 Ų16268.2 Ų68.261%0.61134%0.344SS*.Hα-helixtrans-70.7-33.2177.3-70-176.562.4-165.2-4.3111.4M215 H216 P217 L221 F222 H223M215-R219 HydrophobicContact CE-CB 3.85Å; H216-R219 HydrophobicContact CB-CG 4.39Å; H216-R219 WeakPolarHBondContact O-CA 3.25Å; H216-R219 WeakPolarHBondContact O-CB 3.28Å; H216-R219 PolarHBondContact O-N 3.41Å; P217-R219 VanDerWaalsContact C-N 3.29Å; P217-R219 PolarHBondContact O-N 3.08Å; R219-L221 VanDerWaalsContact C-N 3.28Å; R219-L221 PolarHBondContact O-N 2.93Å; R219-F222 PolarHBondContact O-N 3.4Å; R219-H223 WeakPolarHBondContact O-CB 3.4Å; R219-H223 PolarHBondContact O-N 3.35Å
220V87.9Confident90.3Very high0 Ų064.6 Ų64.60%033%0.33CS..Hα-helixtrans-62.7-37179.1175.70000111.4P176 F177 N212 M215 H216 P217 M218 F222 H223 I224P176-V220 HydrophobicContact CB-CG1 4.27Å; F177-V220 HydrophobicContact CD1-CB 4.45Å; F177-V220 HydrophobicContact CD1-CG1 4.1Å; F177-V220 HydrophobicContact CD1-CG2 3.78Å; F177-V220 HydrophobicContact CE1-CB 4.47Å; F177-V220 HydrophobicContact CE1-CG2 3.54Å; F177-V220 HydrophobicContact CZ-CG2 4.46Å; N212-V220 HydrophobicContact CB-CG2 4.38Å; M215-V220 HydrophobicContact CB-CG2 3.73Å; H216-V220 PolarHBondContact O-N 2.97Å; P217-V220 WeakPolarHBondContact O-CB 3.48Å; P217-V220 PolarHBondContact O-N 3.27Å; P217-V220 VanDerWaalsContact O-N 3.1Å; M218-V220 VanDerWaalsContact C-N 3.32Å; V220-F222 VanDerWaalsContact C-N 3.25Å; V220-F222 PolarHBondContact O-N 2.82Å; V220-H223 PolarHBondContact O-N 3.32Å; V220-I224 HydrophobicContact CG1-CD1 3.37Å; V220-I224 HydrophobicContact CG1-CG1 3.79Å; V220-I224 PolarHBondContact O-N 2.82Å
221L85.7Confident90.3Very high32 Ų3267.7 Ų67.717%0.16835%0.349CS..Hα-helixtrans-58.7-34.5175.3-60.1-179.2000113.4F172 P176 I184 P217 R219 P225F172-L221 HydrophobicContact CD1-CD1 4.27Å; F172-L221 HydrophobicContact CD2-CD1 3.93Å; F172-L221 HydrophobicContact CE1-CD1 4.05Å; F172-L221 HydrophobicContact CE1-CD2 3.58Å; F172-L221 HydrophobicContact CE1-CG 4.39Å; F172-L221 HydrophobicContact CE2-CD1 3.68Å; F172-L221 HydrophobicContact CE2-CD2 4Å; F172-L221 HydrophobicContact CG-CD1 4.21Å; F172-L221 HydrophobicContact CZ-CD1 3.76Å; F172-L221 HydrophobicContact CZ-CD2 3.26Å; F172-L221 HydrophobicContact CZ-CG 4.15Å; P176-L221 HydrophobicContact CB-CD2 3.61Å; P176-L221 HydrophobicContact CB-CG 4.35Å; I184-L221 HydrophobicContact CD1-CD2 4.36Å; I184-L221 HydrophobicContact CG1-CD2 4.17Å; I184-L221 HydrophobicContact CG2-CB 4.27Å; I184-L221 HydrophobicContact CG2-CD2 4.21Å; I184-L221 WeakPolarHBondContact CG2-O 3.31Å; P217-L221 PolarHBondContact O-N 3.19Å; R219-L221 VanDerWaalsContact C-N 3.28Å; R219-L221 PolarHBondContact O-N 2.93Å; L221-P225 WeakPolarHBondContact O-CD 3.21Å; L221-P225 WeakPolarHBondContact O-CG 3.45Å
222F86.6Confident90.4Very high141 Ų14166.7 Ų66.762%0.61834%0.342SS*.Hα-helixtrans-85.4-26.9174.4-63.5-75.6000112.8M218 R219 V220 K226M218-F222 VanDerWaalsContact O-CD2 3.25Å; M218-F222 WeakPolarHBondContact O-CD2 3.25Å; R219-F222 PolarHBondContact O-N 3.4Å; V220-F222 VanDerWaalsContact C-N 3.25Å; V220-F222 PolarHBondContact O-N 2.82Å; F222-K226 WeakPolarHBondContact O-CD 3.16Å; F222-K226 WeakPolarHBondContact O-CG 3.41Å
223H90.1Very high90.6Very high63 Ų6368.7 Ų68.729%0.29236%0.356SS..Hα-helixtrans-75.8-51.3-175.8-171.287.5000111.9M215 R219 V220 K226 S227M215-H223 HydrophobicContact CE-CB 3.98Å; R219-H223 WeakPolarHBondContact O-CB 3.4Å; R219-H223 PolarHBondContact O-N 3.35Å; V220-H223 PolarHBondContact O-N 3.32Å; H223-K226 PolarHBondContact O-N 3.13Å; H223-S227 PolarHBondContact CD2-OG 3.38Å; H223-S227 PolarHBondContact CE1-OG 3.27Å; H223-S227 PolarHBondContact ND1-OG 3.09Å; H223-S227 WeakPolarHBondContact NE2-CB 3.49Å; H223-S227 PolarHBondContact NE2-OG 3.47Å; H223-S227 WeakPolarHBondContact O-CB 3.45Å; H223-S227 PolarHBondContact O-N 3.45Å; H223-S227 PolarHBondContact O-OG 2.84Å
224I92.1Very high90.8Very high16 Ų1670.3 Ų70.38%0.08237%0.374CS..Hα-helixtrans-54.6-48.5-174.8-71.3173.3000112.3P176 P181 I184 W196 V220 K226P176-I224 VanDerWaalsContact O-CD1 3.22Å; P176-I224 WeakPolarHBondContact O-CD1 3.36Å; P181-I224 HydrophobicContact CB-CG2 4.34Å; P181-I224 HydrophobicContact CG-CG2 3.88Å; I184-I224 HydrophobicContact CD1-CB 3.72Å; I184-I224 HydrophobicContact CD1-CD1 3.81Å; I184-I224 HydrophobicContact CD1-CG1 4.34Å; I184-I224 HydrophobicContact CD1-CG2 3.69Å; W196-I224 HydrophobicContact CZ2-CG2 4.04Å; V220-I224 HydrophobicContact CG1-CD1 3.37Å; V220-I224 HydrophobicContact CG1-CG1 3.79Å; V220-I224 PolarHBondContact O-N 2.82Å; I224-K226 VanDerWaalsContact C-N 3.28Å; I224-K226 PolarHBondContact O-N 2.75Å
225P90.4Very high91.2Very high25 Ų2571.7 Ų71.716%0.16238%0.382CS..Hα-helixtrans-68.7-24.1-179.2-21.434.9000113.8I184 Q185 L221 K250I184-P225 HydrophobicContact CB-CG 4.29Å; I184-P225 HydrophobicContact CG2-CG 3.86Å; Q185-P225 HydrophobicContact CG-CB 4.16Å; Q185-P225 HydrophobicContact CG-CG 4.19Å; L221-P225 WeakPolarHBondContact O-CD 3.21Å; L221-P225 WeakPolarHBondContact O-CG 3.45Å; P225-K250 PolarHBondContact O-NZ 3.3Å
226K91.8Very high91.6Very high166 Ų16672.6 Ų72.672%0.72239%0.385SS*.Hα-helixtrans-95.9-42.3-173.5-66.1-177.5-175.8-179.90113.4F222 H223 I224 K250F222-K226 WeakPolarHBondContact O-CD 3.16Å; F222-K226 WeakPolarHBondContact O-CG 3.41Å; H223-K226 PolarHBondContact O-N 3.13Å; I224-K226 VanDerWaalsContact C-N 3.28Å; I224-K226 PolarHBondContact O-N 2.75Å; K226-K250 PolarHBondContact O-NZ 3.05Å
227S93.4Very high92.3Very high28 Ų2869 Ų6920%0.19637%0.372CS..SBendtrans-75.6155-175.9-60.90000112.6H223 K250H223-S227 PolarHBondContact CD2-OG 3.38Å; H223-S227 PolarHBondContact CE1-OG 3.27Å; H223-S227 PolarHBondContact ND1-OG 3.09Å; H223-S227 WeakPolarHBondContact NE2-CB 3.49Å; H223-S227 PolarHBondContact NE2-OG 3.47Å; H223-S227 WeakPolarHBondContact O-CB 3.45Å; H223-S227 PolarHBondContact O-N 3.45Å; H223-S227 PolarHBondContact O-OG 2.84Å; S227-K250 WeakPolarHBondContact O-CE 3.42Å; S227-K250 PolarHBondContact O-NZ 2.89Å
228P96.2Very high93Very high113 Ų11375.5 Ų75.573%0.73440%0.395SS*.PPolyproline II helixtrans-53151.5166.8-23.534.1000111.4
229P96.9Very high93.9Very high45 Ų4570.2 Ų70.229%0.29237%0.37SS..PPolyproline II helixtrans-55.1145.5174.9-23.633.1000112.2W196 L248 K250W196-P229 HydrophobicContact CH2-CB 4.26Å; W196-P229 HydrophobicContact CZ3-CB 4.48Å; P229-L248 HydrophobicContact CB-CB 4.14Å; P229-L248 WeakPolarHBondContact CB-O 3.43Å; P229-L248 VanDerWaalsContact CG-O 3.22Å; P229-L248 WeakPolarHBondContact CG-O 3.38Å; P229-K250 HydrophobicContact CG-CG 3.97Å
230P96.8Very high94.4Very high30 Ų3062.5 Ų62.520%0.19534%0.341CS..PPolyproline II helixtrans-58.8149.2173.9-2233000111.9I200 I203 P211 L248I200-P230 HydrophobicContact CD1-CG 4.14Å; I203-P230 HydrophobicContact CD1-CB 4.15Å; P211-P230 HydrophobicContact CB-CB 3.85Å; P211-P230 HydrophobicContact CB-CG 3.91Å; P211-P230 HydrophobicContact CG-CB 3.58Å; P211-P230 HydrophobicContact CG-CG 3.89Å; P230-L248 HydrophobicContact CB-CD1 4.27Å; P230-L248 WeakPolarHBondContact O-CD1 3.35Å
231T97.3Very high95Very high77 Ų7765.4 Ų65.447%0.47235%0.354SS..  trans-123.1144.4175.9540000110.7T233T231-T233 PolarHBondContact O-N 3.28Å
232L97.8Very high95.6Very high4 Ų467.3 Ų67.32%0.02136%0.364CS..  trans-74.496175.1-179.164.1000110.3I203 A206 F236 F240 K241 T244I203-L232 HydrophobicContact CG1-CB 4.42Å; I203-L232 HydrophobicContact CG1-CD1 4.36Å; I203-L232 HydrophobicContact CG2-CD1 4.48Å; A206-L232 HydrophobicContact CB-CD1 3.9Å; L232-F236 HydrophobicContact CD1-CD2 3.78Å; L232-F236 HydrophobicContact CD1-CE2 3.76Å; L232-F236 HydrophobicContact CD1-CG 4.45Å; L232-F236 HydrophobicContact CD1-CZ 4.41Å; L232-F236 HydrophobicContact CD2-CB 3.96Å; L232-F236 HydrophobicContact CD2-CD2 3.99Å; L232-F236 HydrophobicContact CD2-CG 3.91Å; L232-F236 HydrophobicContact CG-CB 4.42Å; L232-F236 HydrophobicContact CG-CD2 3.7Å; L232-F236 HydrophobicContact CG-CE2 4.22Å; L232-F236 HydrophobicContact CG-CG 4.16Å; L232-F240 HydrophobicContact CD2-CB 4.36Å; L232-F240 HydrophobicContact CD2-CD1 3.5Å; L232-F240 HydrophobicContact CD2-CD2 4.06Å; L232-F240 HydrophobicContact CD2-CE1 3.64Å; L232-F240 HydrophobicContact CD2-CE2 4.18Å; L232-F240 HydrophobicContact CD2-CG 3.71Å; L232-F240 HydrophobicContact CD2-CZ 3.96Å; L232-K241 HydrophobicContact CB-CG 4.31Å; L232-K241 HydrophobicContact CD2-CG 4.32Å; L232-K241 HydrophobicContact CG-CG 4.43Å; L232-K241 WeakPolarHBondContact O-CE 3.41Å; L232-T244 HydrophobicContact CB-CG2 4.22Å; L232-T244 WeakPolarHBondContact CB-OG1 3.38Å; L232-T244 HydrophobicContact CD2-CG2 4.15Å
233T95.7Very high96.2Very high83 Ų8360.6 Ų60.651%0.50933%0.334SS..  trans-85.6154.717463.90000112.1K207 T231 F236K207-T233 WeakPolarHBondContact CE-O 3.22Å; K207-T233 PolarHBondContact NZ-O 3.38Å; K207-T233 PolarHBondContact NZ-OG1 3.35Å; T231-T233 PolarHBondContact O-N 3.28Å; T233-F236 WeakPolarHBondContact O-CD2 3.36Å; T233-F236 WeakPolarHBondContact O-CE2 3.5Å
234G95.4Very high96.6Very high48 Ų4857.6 Ų57.650%0.49532%0.321SS..SBendtrans115-175.1-178.900000113.5F236 K241G234-F236 PolarHBondContact O-N 2.76Å; G234-K241 WeakPolarHBondContact O-CE 3.17Å; G234-K241 PolarHBondContact O-NZ 2.81Å
235D96.9Very high96.9Very high169 Ų16961.7 Ų61.790%0.90434%0.339SS*.SBendtrans-84.266.5179.2-166.522.8000111.5
236F98.1Very high97.3Very high44 Ų4462.3 Ų62.319%0.19334%0.344CS..  trans-111.6152174.2-61-75.9000110.7E111 A206 L232 T233 G234 F240 K241E111-F236 HydrophobicContact CG-CD1 4.48Å; E111-F236 WeakPolarHBondContact OE1-CA 3.16Å; A206-F236 HydrophobicContact CB-CE1 3.9Å; A206-F236 HydrophobicContact CB-CE2 4.49Å; A206-F236 HydrophobicContact CB-CZ 3.81Å; L232-F236 HydrophobicContact CD1-CD2 3.78Å; L232-F236 HydrophobicContact CD1-CE2 3.76Å; L232-F236 HydrophobicContact CD1-CG 4.45Å; L232-F236 HydrophobicContact CD1-CZ 4.41Å; L232-F236 HydrophobicContact CD2-CB 3.96Å; L232-F236 HydrophobicContact CD2-CD2 3.99Å; L232-F236 HydrophobicContact CD2-CG 3.91Å; L232-F236 HydrophobicContact CG-CB 4.42Å; L232-F236 HydrophobicContact CG-CD2 3.7Å; L232-F236 HydrophobicContact CG-CE2 4.22Å; L232-F236 HydrophobicContact CG-CG 4.16Å; T233-F236 WeakPolarHBondContact O-CD2 3.36Å; T233-F236 WeakPolarHBondContact O-CE2 3.5Å; G234-F236 PolarHBondContact O-N 2.76Å; F236-F240 HydrophobicContact CB-CD1 4.15Å; F236-F240 AromaticContact CD1-CD1 3.93Å; F236-F240 HydrophobicContact CD1-CD1 3.93Å; F236-F240 HydrophobicContact CD1-CE1 4.09Å; F236-F240 HydrophobicContact CE1-CE1 4.46Å; F236-F240 HydrophobicContact CG-CD1 4.25Å; F236-K241 HydrophobicContact CB-CG 4.46Å; F236-K241 WeakPolarHBondContact O-CE 3.34Å; F236-K241 PolarHBondContact O-NZ 2.77Å
237S98.6Very high97.6Very high30 Ų3054.4 Ų54.421%0.2131%0.31CS..  trans-58.5146.4-179.978.90000111.5E111 S239 F240 K241E111-S237 WeakPolarHBondContact OE1-CB 3.48Å; E111-S237 PolarHBondContact OE1-N 3.44Å; E111-S237 WeakPolarHBondContact OE2-CB 3.46Å; E111-S237 PolarHBondContact OE2-OG 3.21Å; S237-S239 PolarHBondContact O-N 2.84Å; S237-S239 PolarHBondContact OG-OG 3.32Å; S237-S239 VanDerWaalsContact OG-OG 3.05Å; S237-F240 PolarHBondContact O-N 3Å; S237-F240 PolarHBondContact OG-N 3.44Å; S237-K241 PolarHBondContact O-N 2.81Å; S237-K241 VanDerWaalsContact O-N 3.14Å
238K98.4Very high97.8Very high187 Ų18753.3 Ų53.381%0.81330%0.301SS*.Hα-helixtrans-55.5-38177-174.7176-179.4178.10111.8F240 D242K238-F240 VanDerWaalsContact C-N 3.32Å; K238-F240 PolarHBondContact O-N 3.04Å; K238-D242 WeakPolarHBondContact O-CB 3.48Å; K238-D242 PolarHBondContact O-N 3.19Å
239S98.6Very high97.9Very high11 Ų1150.6 Ų50.68%0.07728%0.281CS..Hα-helixtrans-64.5-34.6176.933.90000113S237 F243 H264 F266S237-S239 PolarHBondContact O-N 2.84Å; S237-S239 PolarHBondContact OG-OG 3.32Å; S237-S239 VanDerWaalsContact OG-OG 3.05Å; S239-F243 PolarHBondContact O-N 2.88Å; S239-H264 PolarHBondContact O-CE1 3.37Å; S239-F266 WeakPolarHBondContact O-CB 3.41Å
240F98.8Very high97.8Very high0 Ų051.7 Ų51.70%028%0.281CS..Hα-helixtrans-72.7-43.8178.8-169.1-166.4000111.4E111 I114 L118 A202 A206 L232 F236 S237 K238 D242 F243 T244 F266E111-F240 HydrophobicContact CG-CD1 3.89Å; E111-F240 HydrophobicContact CG-CE1 4.43Å; I114-F240 HydrophobicContact CD1-CE1 3.95Å; I114-F240 HydrophobicContact CD1-CZ 4.22Å; I114-F240 HydrophobicContact CG2-CE1 4.29Å; I114-F240 HydrophobicContact CG2-CE2 4.15Å; I114-F240 HydrophobicContact CG2-CZ 3.64Å; L118-F240 HydrophobicContact CD1-CE2 4.29Å; A202-F240 HydrophobicContact CB-CE2 4.17Å; A202-F240 WeakPolarHBondContact O-CZ 3.21Å; A206-F240 HydrophobicContact CB-CE1 3.74Å; A206-F240 HydrophobicContact CB-CZ 3.93Å; L232-F240 HydrophobicContact CD2-CB 4.36Å; L232-F240 HydrophobicContact CD2-CD1 3.5Å; L232-F240 HydrophobicContact CD2-CD2 4.06Å; L232-F240 HydrophobicContact CD2-CE1 3.64Å; L232-F240 HydrophobicContact CD2-CE2 4.18Å; L232-F240 HydrophobicContact CD2-CG 3.71Å; L232-F240 HydrophobicContact CD2-CZ 3.96Å; F236-F240 HydrophobicContact CB-CD1 4.15Å; F236-F240 AromaticContact CD1-CD1 3.93Å; F236-F240 HydrophobicContact CD1-CD1 3.93Å; F236-F240 HydrophobicContact CD1-CE1 4.09Å; F236-F240 HydrophobicContact CE1-CE1 4.46Å; F236-F240 HydrophobicContact CG-CD1 4.25Å; S237-F240 PolarHBondContact O-N 3Å; S237-F240 PolarHBondContact OG-N 3.44Å; K238-F240 VanDerWaalsContact C-N 3.32Å; K238-F240 PolarHBondContact O-N 3.04Å; F240-D242 VanDerWaalsContact C-N 3.33Å; F240-D242 PolarHBondContact O-N 3.04Å; F240-F243 WeakPolarHBondContact O-CB 3.48Å; F240-F243 PolarHBondContact O-N 3.49Å; F240-F243 VanDerWaalsContact O-N 3.14Å; F240-T244 HydrophobicContact CD2-CG2 4.25Å; F240-T244 HydrophobicContact CE2-CG2 4Å; F240-T244 PolarHBondContact O-N 3.11Å; F240-F266 HydrophobicContact CB-CD2 3.61Å; F240-F266 HydrophobicContact CB-CE1 4.46Å; F240-F266 HydrophobicContact CB-CE2 3.48Å; F240-F266 VanDerWaalsContact CB-CE2 3.48Å; F240-F266 HydrophobicContact CB-CG 4.19Å; F240-F266 HydrophobicContact CB-CZ 3.94Å; F240-F266 HydrophobicContact CD1-CE2 4.08Å; F240-F266 AromaticContact CD1-CZ 3.85Å; F240-F266 HydrophobicContact CD1-CZ 3.85Å; F240-F266 AromaticContact CD2-CD1 3.7Å; F240-F266 HydrophobicContact CD2-CD1 3.7Å; F240-F266 HydrophobicContact CD2-CD2 4.21Å; F240-F266 AromaticContact CD2-CE1 3.28Å; F240-F266 HydrophobicContact CD2-CE1 3.28Å; F240-F266 AromaticContact CD2-CE2 3.87Å; F240-F266 HydrophobicContact CD2-CE2 3.87Å; F240-F266 HydrophobicContact CD2-CG 4.15Å; F240-F266 AromaticContact CD2-CZ 3.38Å; F240-F266 HydrophobicContact CD2-CZ 3.38Å; F240-F266 HydrophobicContact CE1-CZ 4.21Å; F240-F266 HydrophobicContact CE2-CD1 4.28Å; F240-F266 AromaticContact CE2-CE1 3.55Å; F240-F266 HydrophobicContact CE2-CE1 3.55Å; F240-F266 AromaticContact CE2-CZ 3.79Å; F240-F266 HydrophobicContact CE2-CZ 3.79Å; F240-F266 HydrophobicContact CG-CD1 4.35Å; F240-F266 HydrophobicContact CG-CD2 4.05Å; F240-F266 AromaticContact CG-CE1 3.87Å; F240-F266 HydrophobicContact CG-CE1 3.87Å; F240-F266 AromaticContact CG-CE2 3.55Å; F240-F266 HydrophobicContact CG-CE2 3.55Å; F240-F266 HydrophobicContact CG-CG 4.44Å; F240-F266 AromaticContact CG-CZ 3.44Å; F240-F266 HydrophobicContact CG-CZ 3.44Å; F240-F266 VanDerWaalsContact CG-CZ 3.44Å; F240-F266 HydrophobicContact CZ-CE1 4.32Å; F240-F266 HydrophobicContact CZ-CZ 4.2Å
241K98.7Very high97.7Very high62 Ų6253.4 Ų53.427%0.2729%0.289SS..Hα-helixtrans-57-47.3173.5-64.5178.8177.9169.20111.5L232 G234 F236 S237 F243 T244 E245L232-K241 HydrophobicContact CB-CG 4.31Å; L232-K241 HydrophobicContact CD2-CG 4.32Å; L232-K241 HydrophobicContact CG-CG 4.43Å; L232-K241 WeakPolarHBondContact O-CE 3.41Å; G234-K241 WeakPolarHBondContact O-CE 3.17Å; G234-K241 PolarHBondContact O-NZ 2.81Å; F236-K241 HydrophobicContact CB-CG 4.46Å; F236-K241 WeakPolarHBondContact O-CE 3.34Å; F236-K241 PolarHBondContact O-NZ 2.77Å; S237-K241 PolarHBondContact O-N 2.81Å; S237-K241 VanDerWaalsContact O-N 3.14Å; K241-F243 VanDerWaalsContact C-N 3.33Å; K241-F243 PolarHBondContact O-N 3.06Å; K241-T244 PolarHBondContact O-N 3.38Å; K241-T244 VanDerWaalsContact O-N 3.14Å; K241-T244 PolarHBondContact O-OG1 3.49Å; K241-E245 WeakPolarHBondContact O-CG 3.46Å; K241-E245 PolarHBondContact O-N 2.9Å
242D98.6Very high97.6Very high72 Ų7251.4 Ų51.439%0.38528%0.277SS..Hα-helixtrans-59-38.4175.4-176.265.6000113K238 F240 S246 H264K238-D242 WeakPolarHBondContact O-CB 3.48Å; K238-D242 PolarHBondContact O-N 3.19Å; F240-D242 VanDerWaalsContact C-N 3.33Å; F240-D242 PolarHBondContact O-N 3.04Å; D242-S246 WeakPolarHBondContact O-CB 3.37Å; D242-S246 PolarHBondContact O-N 3.07Å; D242-S246 PolarHBondContact O-OG 3.39Å; D242-H264 IonicContact OD2-CE1 3.71Å; D242-H264 PolarHBondContact OD2-CE1 3.2Å; D242-H264 IonicContact OD2-NE2 3.85Å; D242-H264 PolarHBondContact OD2-NE2 2.84Å
243F98.9Very high97.6Very high0 Ų055.1 Ų55.10%030%0.303CS..Hα-helixtrans-61.8-49173.2179.9-87.7000111.2L118 L122 L198 A202 S239 F240 K241 S246 C247 L261 H264 F266 I267L118-F243 HydrophobicContact CD1-CD1 4.35Å; L118-F243 HydrophobicContact CD1-CE1 3.8Å; L118-F243 HydrophobicContact CD1-CZ 4.26Å; L122-F243 HydrophobicContact CD1-CE2 4.11Å; L122-F243 HydrophobicContact CD1-CZ 4.13Å; L198-F243 HydrophobicContact CD2-CZ 4.31Å; A202-F243 HydrophobicContact CB-CD1 4.45Å; A202-F243 HydrophobicContact CB-CE1 4.22Å; S239-F243 PolarHBondContact O-N 2.88Å; F240-F243 WeakPolarHBondContact O-CB 3.48Å; F240-F243 PolarHBondContact O-N 3.49Å; F240-F243 VanDerWaalsContact O-N 3.14Å; K241-F243 VanDerWaalsContact C-N 3.33Å; K241-F243 PolarHBondContact O-N 3.06Å; F243-S246 PolarHBondContact O-N 2.89Å; F243-C247 PolarHBondContact O-N 3.14Å; F243-C247 PolarHBondContact O-SG 2.72Å; F243-C247 VanDerWaalsContact O-SG 3.41Å; F243-L261 HydrophobicContact CD2-CD2 4.04Å; F243-L261 HydrophobicContact CE2-CB 4.18Å; F243-L261 HydrophobicContact CE2-CD2 3.79Å; F243-L261 HydrophobicContact CE2-CG 4.41Å; F243-L261 HydrophobicContact CZ-CD2 4.43Å; F243-H264 VanDerWaalsContact CA-CE1 3.42Å; F243-H264 WeakPolarHBondContact CA-CE1 3.41Å; F243-H264 HydrophobicContact CD2-CB 3.91Å; F243-H264 AromaticContact CD2-CG 3.69Å; F243-H264 AromaticContact CD2-ND1 3.59Å; F243-H264 HydrophobicContact CE2-CB 4.36Å; F243-H264 PolarHBondContact N-CE1 3.46Å; F243-H264 VanDerWaalsContact N-CE1 3.35Å; F243-F266 HydrophobicContact CB-CB 3.99Å; F243-F266 HydrophobicContact CB-CD1 4.16Å; F243-F266 HydrophobicContact CB-CG 4.34Å; F243-F266 HydrophobicContact CD1-CD1 4.45Å; F243-F266 HydrophobicContact CD2-CB 4.43Å; F243-F266 HydrophobicContact CD2-CD1 4.34Å; F243-F266 HydrophobicContact CG-CB 4.45Å; F243-F266 HydrophobicContact CG-CD1 4.07Å; F243-I267 HydrophobicContact CD2-CD1 4.48Å; F243-I267 HydrophobicContact CD2-CG1 4.23Å; F243-I267 HydrophobicContact CE2-CD1 3.93Å; F243-I267 HydrophobicContact CE2-CG1 3.79Å; F243-I267 HydrophobicContact CZ-CD1 4.33Å
244T98.6Very high97.7Very high0 Ų057.9 Ų57.90%031%0.308CS..Hα-helixtrans-64.3-41.3179.757.50000112.3A202 I203 L232 F240 K241 S246 C247 L248A202-T244 HydrophobicContact CB-CG2 3.96Å; I203-T244 HydrophobicContact CG1-CG2 4.15Å; L232-T244 HydrophobicContact CB-CG2 4.22Å; L232-T244 WeakPolarHBondContact CB-OG1 3.38Å; L232-T244 HydrophobicContact CD2-CG2 4.15Å; F240-T244 HydrophobicContact CD2-CG2 4.25Å; F240-T244 HydrophobicContact CE2-CG2 4Å; F240-T244 PolarHBondContact O-N 3.11Å; K241-T244 PolarHBondContact O-N 3.38Å; K241-T244 VanDerWaalsContact O-N 3.14Å; K241-T244 PolarHBondContact O-OG1 3.49Å; T244-S246 PolarHBondContact O-N 3.12Å; T244-C247 PolarHBondContact O-N 3.2Å; T244-L248 WeakPolarHBondContact O-CB 3.47Å; T244-L248 VanDerWaalsContact O-CG 3.29Å; T244-L248 WeakPolarHBondContact O-CG 3.38Å; T244-L248 PolarHBondContact O-N 2.97Å
245E98.4Very high97.8Very high102 Ų10255.7 Ų55.748%0.47729%0.285SS..Hα-helixtrans-64.6-38.4177.7-73.8173.4-169.400112K241 C247 L248K241-E245 WeakPolarHBondContact O-CG 3.46Å; K241-E245 PolarHBondContact O-N 2.9Å; E245-C247 VanDerWaalsContact C-N 3.32Å; E245-C247 PolarHBondContact O-N 3.01Å; E245-L248 PolarHBondContact O-N 2.91Å
246S98.5Very high97.9Very high37 Ų3749 Ų4926%0.25925%0.251SS..Hα-helixtrans-62.4-38.8176-62.60000112.2D242 F243 T244 P256D242-S246 WeakPolarHBondContact O-CB 3.37Å; D242-S246 PolarHBondContact O-N 3.07Å; D242-S246 PolarHBondContact O-OG 3.39Å; F243-S246 PolarHBondContact O-N 2.89Å; T244-S246 PolarHBondContact O-N 3.12Å; S246-P256 WeakPolarHBondContact O-CD 3.32Å
247C98.8Very high97.9Very high0 Ų049.4 Ų49.40%026%0.257CS..Hα-helixtrans-72.3-40.8176.1-65.80000112.4I195 F243 T244 E245 N249 R255I195-C247 HydrophobicContact CG2-CB 4.26Å; I195-C247 WeakPolarHBondContact O-CB 3.29Å; F243-C247 PolarHBondContact O-N 3.14Å; F243-C247 PolarHBondContact O-SG 2.72Å; F243-C247 VanDerWaalsContact O-SG 3.41Å; T244-C247 PolarHBondContact O-N 3.2Å; E245-C247 VanDerWaalsContact C-N 3.32Å; E245-C247 PolarHBondContact O-N 3.01Å; C247-N249 VanDerWaalsContact C-N 3.28Å; C247-N249 PolarHBondContact O-N 3.41Å; C247-N249 VanDerWaalsContact O-N 3.12Å; C247-R255 VanDerWaalsContact O-CD 3.3Å; C247-R255 WeakPolarHBondContact O-CD 3.43Å; C247-R255 WeakPolarHBondContact O-CG 3.48Å
248L98.5Very high97.9Very high5 Ų548 Ų483%0.02625%0.247CC..  trans-90.652.9-171.7-61.4177.4000112.4W196 I200 I203 P229 P230 T244 E245W196-L248 HydrophobicContact CD2-CD2 3.83Å; W196-L248 HydrophobicContact CE3-CD2 4.07Å; W196-L248 HydrophobicContact CG-CD2 4.21Å; W196-L248 HydrophobicContact CZ2-CD2 4.35Å; W196-L248 HydrophobicContact CZ3-CB 4.39Å; W196-L248 HydrophobicContact CZ3-CD2 4.43Å; W196-L248 WeakPolarHBondContact O-CD2 3.3Å; I200-L248 HydrophobicContact CD1-CD1 4.2Å; I200-L248 HydrophobicContact CD1-CD2 3.62Å; I200-L248 HydrophobicContact CG1-CD2 3.91Å; I203-L248 HydrophobicContact CD1-CD1 3.64Å; P229-L248 HydrophobicContact CB-CB 4.14Å; P229-L248 WeakPolarHBondContact CB-O 3.43Å; P229-L248 VanDerWaalsContact CG-O 3.22Å; P229-L248 WeakPolarHBondContact CG-O 3.38Å; P230-L248 HydrophobicContact CB-CD1 4.27Å; P230-L248 WeakPolarHBondContact O-CD1 3.35Å; T244-L248 WeakPolarHBondContact O-CB 3.47Å; T244-L248 VanDerWaalsContact O-CG 3.29Å; T244-L248 WeakPolarHBondContact O-CG 3.38Å; T244-L248 PolarHBondContact O-N 2.97Å; E245-L248 PolarHBondContact O-N 2.91Å
249N97.8Very high97.9Very high57 Ų5745.1 Ų45.131%0.30524%0.235SC..  trans-94.2134.3169.7-160.1-51.3000110.4C247 D251 F254 R255C247-N249 VanDerWaalsContact C-N 3.28Å; C247-N249 PolarHBondContact O-N 3.41Å; C247-N249 VanDerWaalsContact O-N 3.12Å; N249-D251 VanDerWaalsContact C-N 3.27Å; N249-D251 PolarHBondContact O-N 3.14Å; N249-D251 PolarHBondContact OD1-N 3.14Å; N249-F254 HydrophobicContact CB-CB 4.3Å; N249-F254 WeakPolarHBondContact ND2-CB 3.44Å; N249-R255 HydrophobicContact CB-CG 4.04Å; N249-R255 VanDerWaalsContact O-CZ 3.3Å; N249-R255 PolarHBondContact O-NE 3.38Å; N249-R255 PolarHBondContact O-NH2 3.04Å
250K95Very high97.9Very high67 Ų6750 Ų5029%0.29126%0.256SS..SBendtrans-65.4-33.6177.5-74.2-159.9173.9179.30112.7P181 P225 K226 S227 P229 P252 R255P181-K250 HydrophobicContact CG-CG 4.38Å; P225-K250 PolarHBondContact O-NZ 3.3Å; K226-K250 PolarHBondContact O-NZ 3.05Å; S227-K250 WeakPolarHBondContact O-CE 3.42Å; S227-K250 PolarHBondContact O-NZ 2.89Å; P229-K250 HydrophobicContact CG-CG 3.97Å; K250-P252 VanDerWaalsContact O-CD 3.32Å; K250-P252 WeakPolarHBondContact O-CD 3.42Å; K250-R255 PolarHBondContact O-NH2 2.95Å
251D95.4Very high97.9Very high67 Ų6750.1 Ų50.136%0.35826%0.257SS..SBendtrans-82.6114.8174.1-173.5-28.7000109N249 S253 F254N249-D251 VanDerWaalsContact C-N 3.27Å; N249-D251 PolarHBondContact O-N 3.14Å; N249-D251 PolarHBondContact OD1-N 3.14Å; D251-S253 VanDerWaalsContact CG-OG 3.24Å; D251-S253 PolarHBondContact O-N 3.04Å; D251-S253 VanDerWaalsContact OD1-CB 3.28Å; D251-S253 WeakPolarHBondContact OD1-CB 3.15Å; D251-S253 PolarHBondContact OD1-N 2.81Å; D251-S253 PolarHBondContact OD1-OG 2.98Å; D251-S253 PolarHBondContact OD2-OG 3.48Å; D251-F254 HydrophobicContact CB-CD2 3.66Å; D251-F254 HydrophobicContact CB-CE2 4.19Å; D251-F254 PolarHBondContact O-N 3.37Å
252P95.1Very high97.9Very high35 Ų3549.2 Ų49.223%0.22726%0.255CS..G310 helixtrans-62.1-23.9-178.1-20.933.6000113.5E182 K192 K250 F254 R255E182-P252 HydrophobicContact CB-CG 4.47Å; E182-P252 HydrophobicContact CG-CG 4Å; K192-P252 HydrophobicContact CB-CB 3.84Å; K192-P252 HydrophobicContact CG-CB 4.38Å; K192-P252 WeakPolarHBondContact CG-O 3.45Å; K192-P252 PolarHBondContact NZ-O 3.03Å; K192-P252 VanDerWaalsContact NZ-O 3.1Å; K250-P252 VanDerWaalsContact O-CD 3.32Å; K250-P252 WeakPolarHBondContact O-CD 3.42Å; P252-F254 VanDerWaalsContact C-N 3.31Å; P252-F254 PolarHBondContact O-N 3.28Å; P252-R255 PolarHBondContact O-N 2.96Å
253S95.9Very high97.9Very high81 Ų8153.4 Ų53.457%0.56627%0.27SS*.G310 helixtrans-68.5-30.9179.972.20000112.4D251 R255D251-S253 VanDerWaalsContact CG-OG 3.24Å; D251-S253 PolarHBondContact O-N 3.04Å; D251-S253 VanDerWaalsContact OD1-CB 3.28Å; D251-S253 WeakPolarHBondContact OD1-CB 3.15Å; D251-S253 PolarHBondContact OD1-N 2.81Å; D251-S253 PolarHBondContact OD1-OG 2.98Å; D251-S253 PolarHBondContact OD2-OG 3.48Å; S253-R255 VanDerWaalsContact C-N 3.35Å
254F97.8Very high97.9Very high142 Ų14254.7 Ų54.762%0.62328%0.276SS*.G310 helixtrans-82.5-10.5176.4-67.4-48.8000113.8N249 D251 P252N249-F254 HydrophobicContact CB-CB 4.3Å; N249-F254 WeakPolarHBondContact ND2-CB 3.44Å; D251-F254 HydrophobicContact CB-CD2 3.66Å; D251-F254 HydrophobicContact CB-CE2 4.19Å; D251-F254 PolarHBondContact O-N 3.37Å; P252-F254 VanDerWaalsContact C-N 3.31Å; P252-F254 PolarHBondContact O-N 3.28Å
255R98.5Very high97.9Very high2 Ų261.3 Ų61.31%0.00830%0.304CS..SBendtrans-72.2128.4172.8-59.3-178-158.6143.710.5109.2E182 K192 I195 C247 N249 K250 P252 S253E182-R255 IonicContact OE1-CZ 3.75Å; E182-R255 IonicContact OE1-NH1 3.38Å; E182-R255 PolarHBondContact OE1-NH1 3.05Å; E182-R255 IonicContact OE1-NH2 2.65Å; E182-R255 PolarHBondContact OE1-NH2 2.94Å; E182-R255 IonicContact OE2-CZ 2.86Å; E182-R255 IonicContact OE2-NH1 3.19Å; E182-R255 IonicContact OE2-NH2 3.47Å; E182-R255 PolarHBondContact OE2-NH2 3.27Å; K192-R255 HydrophobicContact CD-CB 4.38Å; K192-R255 WeakPolarHBondContact CE-O 3.39Å; K192-R255 PolarHBondContact NZ-O 3.23Å; K192-R255 PolarHBondContact O-NH1 3.27Å; I195-R255 HydrophobicContact CB-CB 4.49Å; I195-R255 HydrophobicContact CG2-CB 4.09Å; C247-R255 VanDerWaalsContact O-CD 3.3Å; C247-R255 WeakPolarHBondContact O-CD 3.43Å; C247-R255 WeakPolarHBondContact O-CG 3.48Å; N249-R255 HydrophobicContact CB-CG 4.04Å; N249-R255 VanDerWaalsContact O-CZ 3.3Å; N249-R255 PolarHBondContact O-NE 3.38Å; N249-R255 PolarHBondContact O-NH2 3.04Å; K250-R255 PolarHBondContact O-NH2 2.95Å; P252-R255 PolarHBondContact O-N 2.96Å; S253-R255 VanDerWaalsContact C-N 3.35Å
256P98.6Very high97.9Very high27 Ų2756.4 Ų56.418%0.17528%0.282CS..PPolyproline II helixtrans-64.2156.8173.328.1-34.2000110.9S246 E260 L261S246-P256 WeakPolarHBondContact O-CD 3.32Å; P256-E260 HydrophobicContact CB-CB 4.01Å; P256-L261 HydrophobicContact CB-CD2 4.26Å; P256-L261 HydrophobicContact CB-CG 4.04Å; P256-L261 HydrophobicContact CG-CD1 4.03Å; P256-L261 HydrophobicContact CG-CD2 3.43Å; P256-L261 VanDerWaalsContact CG-CD2 3.43Å; P256-L261 HydrophobicContact CG-CG 3.56Å
257T98.7Very high97.9Very high53 Ų5354.8 Ų54.833%0.32527%0.27SS..PPolyproline II helixtrans-72161.2170.460.10000111.2K259 E260 L261T257-K259 PolarHBondContact O-N 3.42Å; T257-E260 WeakPolarHBondContact CB-OE2 3.38Å; T257-E260 PolarHBondContact N-OE2 3.25Å; T257-E260 PolarHBondContact O-N 3.44Å; T257-E260 VanDerWaalsContact OG1-CD 3.25Å; T257-E260 VanDerWaalsContact OG1-CG 3.27Å; T257-E260 WeakPolarHBondContact OG1-CG 3.28Å; T257-E260 PolarHBondContact OG1-N 3.35Å; T257-E260 PolarHBondContact OG1-OE2 3.05Å; T257-L261 PolarHBondContact O-N 3.13Å
258A98.7Very high97.9Very high1 Ų159.6 Ų59.61%0.00830%0.299CS..Hα-helixtrans-55-40.8174.100000111.9L122 L125 D126 I195 E260 L261 L262L122-A258 HydrophobicContact CD2-CB 4Å; L125-A258 HydrophobicContact CB-CB 3.84Å; D126-A258 HydrophobicContact CB-CB 4.06Å; I195-A258 HydrophobicContact CD1-CB 4.13Å; A258-E260 VanDerWaalsContact C-N 3.34Å; A258-E260 PolarHBondContact O-N 3Å; A258-L261 PolarHBondContact O-N 3.31Å; A258-L262 WeakPolarHBondContact O-CG 3.32Å; A258-L262 PolarHBondContact O-N 3.08Å
259K98.6Very high97.9Very high127 Ų12766 Ų6655%0.55233%0.327SS*.Hα-helixtrans-60.3-37.3175.7-166.2166.6-178169.30114.3D126 T257D126-K259 WeakPolarHBondContact OD1-CB 3.47Å; T257-K259 PolarHBondContact O-N 3.42Å
260E98.8Very high97.8Very high113 Ų11365.1 Ų65.153%0.52832%0.32SS..Hα-helixtrans-74.1-41.5176.8-72.9162.7145.100110.9P256 T257 A258 L262 K263P256-E260 HydrophobicContact CB-CB 4.01Å; T257-E260 WeakPolarHBondContact CB-OE2 3.38Å; T257-E260 PolarHBondContact N-OE2 3.25Å; T257-E260 PolarHBondContact O-N 3.44Å; T257-E260 VanDerWaalsContact OG1-CD 3.25Å; T257-E260 VanDerWaalsContact OG1-CG 3.27Å; T257-E260 WeakPolarHBondContact OG1-CG 3.28Å; T257-E260 PolarHBondContact OG1-N 3.35Å; T257-E260 PolarHBondContact OG1-OE2 3.05Å; A258-E260 VanDerWaalsContact C-N 3.34Å; A258-E260 PolarHBondContact O-N 3Å; E260-L262 VanDerWaalsContact C-N 3.28Å; E260-L262 PolarHBondContact O-N 3.12Å; E260-K263 WeakPolarHBondContact O-CB 3.16Å; E260-K263 PolarHBondContact O-N 3.44Å
261L98.8Very high97.9Very high2 Ų263.4 Ų63.41%0.0132%0.317CS..Hα-helixtrans-64.1-28.6177.3-75.6173.2000113.5L122 I195 L198 F243 P256 T257 A258 K263 H264L122-L261 HydrophobicContact CD1-CB 3.81Å; L122-L261 HydrophobicContact CD2-CB 3.52Å; L122-L261 HydrophobicContact CD2-CD1 3.84Å; L122-L261 HydrophobicContact CD2-CG 4.35Å; L122-L261 HydrophobicContact CG-CB 4.34Å; I195-L261 HydrophobicContact CD1-CD1 4.31Å; I195-L261 HydrophobicContact CG2-CD1 3.84Å; L198-L261 HydrophobicContact CD2-CD1 4.11Å; F243-L261 HydrophobicContact CD2-CD2 4.04Å; F243-L261 HydrophobicContact CE2-CB 4.18Å; F243-L261 HydrophobicContact CE2-CD2 3.79Å; F243-L261 HydrophobicContact CE2-CG 4.41Å; F243-L261 HydrophobicContact CZ-CD2 4.43Å; P256-L261 HydrophobicContact CB-CD2 4.26Å; P256-L261 HydrophobicContact CB-CG 4.04Å; P256-L261 HydrophobicContact CG-CD1 4.03Å; P256-L261 HydrophobicContact CG-CD2 3.43Å; P256-L261 VanDerWaalsContact CG-CD2 3.43Å; P256-L261 HydrophobicContact CG-CG 3.56Å; T257-L261 PolarHBondContact O-N 3.13Å; A258-L261 PolarHBondContact O-N 3.31Å; L261-K263 PolarHBondContact O-N 2.67Å; L261-K263 VanDerWaalsContact O-N 3.13Å; L261-H264 HydrophobicContact CD2-CB 4.49Å; L261-H264 WeakPolarHBondContact O-CB 3.33Å; L261-H264 PolarHBondContact O-N 3.27Å
262L98.7Very high97.9Very high44 Ų4465 Ų6523%0.2332%0.32CS..THydrogen-bonded Turntrans-58.2-24.1170.8-76.7171.7000113.1K119 L122 K123 A258 E260K119-L262 HydrophobicContact CG-CD2 4.07Å; K119-L262 WeakPolarHBondContact O-CD2 3.49Å; L122-L262 HydrophobicContact CB-CD2 3.59Å; L122-L262 HydrophobicContact CB-CG 3.91Å; L122-L262 HydrophobicContact CD1-CD2 4.3Å; K123-L262 HydrophobicContact CG-CD1 4.3Å; K123-L262 HydrophobicContact CG-CD2 3.94Å; A258-L262 WeakPolarHBondContact O-CG 3.32Å; A258-L262 PolarHBondContact O-N 3.08Å; E260-L262 VanDerWaalsContact C-N 3.28Å; E260-L262 PolarHBondContact O-N 3.12Å
263K98.6Very high98.1Very high159 Ų15971.3 Ų71.369%0.69134%0.344SS*.THydrogen-bonded Turntrans-96.3-0.1177.2-56.7176.3-175.8174.50112.6E260 L261E260-K263 WeakPolarHBondContact O-CB 3.16Å; E260-K263 PolarHBondContact O-N 3.44Å; L261-K263 PolarHBondContact O-N 2.67Å; L261-K263 VanDerWaalsContact O-N 3.13Å
264H98.8Very high98.1Very high27 Ų2769.3 Ų69.313%0.12533%0.329CS..SBendtrans-61.6143.9-178.6-166.7-90.8000111.1S239 D242 F243 L261 F266 I267 V268S239-H264 PolarHBondContact O-CE1 3.37Å; D242-H264 IonicContact OD2-CE1 3.71Å; D242-H264 PolarHBondContact OD2-CE1 3.2Å; D242-H264 IonicContact OD2-NE2 3.85Å; D242-H264 PolarHBondContact OD2-NE2 2.84Å; F243-H264 VanDerWaalsContact CA-CE1 3.42Å; F243-H264 WeakPolarHBondContact CA-CE1 3.41Å; F243-H264 HydrophobicContact CD2-CB 3.91Å; F243-H264 AromaticContact CD2-CG 3.69Å; F243-H264 AromaticContact CD2-ND1 3.59Å; F243-H264 HydrophobicContact CE2-CB 4.36Å; F243-H264 PolarHBondContact N-CE1 3.46Å; F243-H264 VanDerWaalsContact N-CE1 3.35Å; L261-H264 HydrophobicContact CD2-CB 4.49Å; L261-H264 WeakPolarHBondContact O-CB 3.33Å; L261-H264 PolarHBondContact O-N 3.27Å; H264-F266 PolarHBondContact ND1-N 3.1Å; H264-F266 PolarHBondContact O-N 2.67Å; H264-F266 VanDerWaalsContact O-N 3.14Å; H264-I267 HydrophobicContact CB-CG1 4.44Å; H264-I267 PolarHBondContact O-N 3.06Å; H264-V268 PolarHBondContact O-N 2.91Å
265K98.5Very high98.1Very high139 Ų13965.8 Ų65.860%0.60432%0.322SS*.Hα-helixtrans-55.4-37.8-175.3-175.8174.4179.6176.30112.8K269K265-K269 WeakPolarHBondContact O-CB 3.44Å; K265-K269 PolarHBondContact O-N 3.13Å
266F98.8Very high97.9Very high0 Ų067.9 Ų67.90%033%0.33CS..Hα-helixtrans-58.7-52.9175.7-178.1-123.5000112.1E111 I114 A115 L118 S239 F240 F243 H264 K269 H270E111-F266 HydrophobicContact CB-CE2 4.04Å; E111-F266 HydrophobicContact CB-CZ 4.32Å; E111-F266 HydrophobicContact CG-CE2 4.22Å; E111-F266 WeakPolarHBondContact OE2-CE2 3.21Å; I114-F266 HydrophobicContact CG2-CE1 4.44Å; I114-F266 HydrophobicContact CG2-CZ 4.46Å; A115-F266 HydrophobicContact CB-CD1 4.35Å; A115-F266 HydrophobicContact CB-CE1 3.84Å; A115-F266 HydrophobicContact CB-CE2 4.31Å; A115-F266 HydrophobicContact CB-CZ 3.82Å; L118-F266 HydrophobicContact CD1-CE1 3.94Å; S239-F266 WeakPolarHBondContact O-CB 3.41Å; F240-F266 HydrophobicContact CB-CD2 3.61Å; F240-F266 HydrophobicContact CB-CE1 4.46Å; F240-F266 HydrophobicContact CB-CE2 3.48Å; F240-F266 VanDerWaalsContact CB-CE2 3.48Å; F240-F266 HydrophobicContact CB-CG 4.19Å; F240-F266 HydrophobicContact CB-CZ 3.94Å; F240-F266 HydrophobicContact CD1-CE2 4.08Å; F240-F266 AromaticContact CD1-CZ 3.85Å; F240-F266 HydrophobicContact CD1-CZ 3.85Å; F240-F266 AromaticContact CD2-CD1 3.7Å; F240-F266 HydrophobicContact CD2-CD1 3.7Å; F240-F266 HydrophobicContact CD2-CD2 4.21Å; F240-F266 AromaticContact CD2-CE1 3.28Å; F240-F266 HydrophobicContact CD2-CE1 3.28Å; F240-F266 AromaticContact CD2-CE2 3.87Å; F240-F266 HydrophobicContact CD2-CE2 3.87Å; F240-F266 HydrophobicContact CD2-CG 4.15Å; F240-F266 AromaticContact CD2-CZ 3.38Å; F240-F266 HydrophobicContact CD2-CZ 3.38Å; F240-F266 HydrophobicContact CE1-CZ 4.21Å; F240-F266 HydrophobicContact CE2-CD1 4.28Å; F240-F266 AromaticContact CE2-CE1 3.55Å; F240-F266 HydrophobicContact CE2-CE1 3.55Å; F240-F266 AromaticContact CE2-CZ 3.79Å; F240-F266 HydrophobicContact CE2-CZ 3.79Å; F240-F266 HydrophobicContact CG-CD1 4.35Å; F240-F266 HydrophobicContact CG-CD2 4.05Å; F240-F266 AromaticContact CG-CE1 3.87Å; F240-F266 HydrophobicContact CG-CE1 3.87Å; F240-F266 AromaticContact CG-CE2 3.55Å; F240-F266 HydrophobicContact CG-CE2 3.55Å; F240-F266 HydrophobicContact CG-CG 4.44Å; F240-F266 AromaticContact CG-CZ 3.44Å; F240-F266 HydrophobicContact CG-CZ 3.44Å; F240-F266 VanDerWaalsContact CG-CZ 3.44Å; F240-F266 HydrophobicContact CZ-CE1 4.32Å; F240-F266 HydrophobicContact CZ-CZ 4.2Å; F243-F266 HydrophobicContact CB-CB 3.99Å; F243-F266 HydrophobicContact CB-CD1 4.16Å; F243-F266 HydrophobicContact CB-CG 4.34Å; F243-F266 HydrophobicContact CD1-CD1 4.45Å; F243-F266 HydrophobicContact CD2-CB 4.43Å; F243-F266 HydrophobicContact CD2-CD1 4.34Å; F243-F266 HydrophobicContact CG-CB 4.45Å; F243-F266 HydrophobicContact CG-CD1 4.07Å; H264-F266 PolarHBondContact ND1-N 3.1Å; H264-F266 PolarHBondContact O-N 2.67Å; H264-F266 VanDerWaalsContact O-N 3.14Å; F266-K269 PolarHBondContact O-N 2.68Å; F266-H270 HydrophobicContact CD2-CB 4.44Å; F266-H270 AromaticContact CD2-CD2 3.72Å; F266-H270 HydrophobicContact CE2-CB 4.25Å; F266-H270 WeakPolarHBondContact O-CB 3.11Å; F266-H270 PolarHBondContact O-CD2 3.22Å; F266-H270 PolarHBondContact O-N 2.65Å
267I98.6Very high97.8Very high3 Ų366.6 Ų66.62%0.01532%0.322CS..Hα-helixtrans-62.3-51.7-179.3-58.3-57.5000110.5L118 K119 L122 F243 H264 K269 C271L118-I267 HydrophobicContact CB-CD1 3.88Å; K119-I267 HydrophobicContact CB-CG2 3.87Å; K119-I267 HydrophobicContact CD-CG2 4.2Å; K119-I267 HydrophobicContact CG-CG2 3.98Å; L122-I267 HydrophobicContact CD1-CD1 4.18Å; L122-I267 HydrophobicContact CD1-CG1 4.07Å; F243-I267 HydrophobicContact CD2-CD1 4.48Å; F243-I267 HydrophobicContact CD2-CG1 4.23Å; F243-I267 HydrophobicContact CE2-CD1 3.93Å; F243-I267 HydrophobicContact CE2-CG1 3.79Å; F243-I267 HydrophobicContact CZ-CD1 4.33Å; H264-I267 HydrophobicContact CB-CG1 4.44Å; H264-I267 PolarHBondContact O-N 3.06Å; I267-K269 VanDerWaalsContact C-N 3.3Å; I267-K269 PolarHBondContact O-N 3.42Å; I267-C271 WeakPolarHBondContact O-CB 3.44Å; I267-C271 PolarHBondContact O-N 3.27Å; I267-C271 PolarHBondContact O-SG 3.48Å
268V98Very high97.7Very high100 Ų10065.9 Ų65.961%0.60632%0.319SS*.Hα-helixtrans-62.7-37-176.1176.20000112.1H264H264-V268 PolarHBondContact O-N 2.91Å
269K97.5Very high97.5Very high141 Ų14171 Ų7161%0.61334%0.342SS*.Hα-helixtrans-82.8-35.3-176.1-176.9-178.2172.7-162.40113.4K265 F266 I267K265-K269 WeakPolarHBondContact O-CB 3.44Å; K265-K269 PolarHBondContact O-N 3.13Å; F266-K269 PolarHBondContact O-N 2.68Å; I267-K269 VanDerWaalsContact C-N 3.3Å; I267-K269 PolarHBondContact O-N 3.42Å
270H97.3Very high97.3Very high37 Ų3765 Ų6517%0.17132%0.317CS..Hα-helixtrans-107.8-21.4-167.8-66.5-97.4000114.2E111 A112 A115 F266E111-H270 IonicContact OE2-CE1 3.87Å; E111-H270 IonicContact OE2-ND1 3.29Å; A112-H270 WeakPolarHBondContact CA-O 3.37Å; A112-H270 WeakPolarHBondContact CB-O 3Å; A115-H270 HydrophobicContact CB-CB 3.63Å; F266-H270 HydrophobicContact CD2-CB 4.44Å; F266-H270 AromaticContact CD2-CD2 3.72Å; F266-H270 HydrophobicContact CE2-CB 4.25Å; F266-H270 WeakPolarHBondContact O-CB 3.11Å; F266-H270 PolarHBondContact O-CD2 3.22Å; F266-H270 PolarHBondContact O-N 2.65Å
271C95.4Very high97.2Very high32 Ų3259.9 Ų59.922%0.21629%0.293CS..  trans-65.1142.7-178.175.50000112.4A115 K119 I267A115-C271 HydrophobicContact CB-CB 4.45Å; K119-C271 HydrophobicContact CD-CB 3.85Å; K119-C271 PolarHBondContact NZ-SG 2.79Å; I267-C271 WeakPolarHBondContact O-CB 3.44Å; I267-C271 PolarHBondContact O-N 3.27Å; I267-C271 PolarHBondContact O-SG 3.48Å
272K97.4Very high97.1Very high99 Ų9963.1 Ų63.143%0.4331%0.31SS..  trans-114.7-171.4173.2-68.1179.5179.8175.90109.5A112 T116 Y276A112-K272 HydrophobicContact CB-CD 4.12Å; A112-K272 HydrophobicContact CB-CG 4.39Å; T116-K272 PolarHBondContact OG1-N 3.04Å; K272-Y276 HydrophobicContact CB-CD1 4.23Å; K272-Y276 HydrophobicContact CB-CG 4.25Å; K272-Y276 HydrophobicContact CD-CD1 3.58Å; K272-Y276 HydrophobicContact CD-CD2 3.9Å; K272-Y276 HydrophobicContact CD-CE1 3.67Å; K272-Y276 HydrophobicContact CD-CE2 4Å; K272-Y276 HydrophobicContact CD-CG 3.68Å; K272-Y276 HydrophobicContact CG-CD1 4.46Å; K272-Y276 VanDerWaalsContact NZ-CE2 3.33Å; K272-Y276 PolarHBondContact NZ-OH 3.16Å
273K97.3Very high97Very high168 Ų16864 Ų6473%0.7331%0.31SS*.  trans-71.7147.1168.2-65.3-174.7179.7-178.60109.4S275 Y276K273-S275 PolarHBondContact O-N 2.79Å; K273-Y276 WeakPolarHBondContact O-CB 3.22Å; K273-Y276 PolarHBondContact O-N 3.17Å
274T97.4Very high96.8Very high40 Ų4057.8 Ų57.825%0.24528%0.283CS..G310 helixtrans-56.4-30.4177.742.80000113.3T116 E120 G149 Y276 L277T116-T274 HydrophobicContact CG2-CG2 4.47Å; E120-T274 HydrophobicContact CG-CG2 3.7Å; G149-T274 VanDerWaalsContact O-CB 3.29Å; G149-T274 WeakPolarHBondContact O-CB 3.22Å; T274-Y276 PolarHBondContact O-N 3.4Å; T274-L277 VanDerWaalsContact O-CB 3.3Å; T274-L277 WeakPolarHBondContact O-CB 3.47Å; T274-L277 PolarHBondContact O-N 3.03Å
275S96.1Very high96.6Very high67 Ų6761.5 Ų61.547%0.46930%0.296SS..G310 helixtrans-58-22.1173.963.40000113.8K273 L277 S278K273-S275 PolarHBondContact O-N 2.79Å; S275-L277 PolarHBondContact O-N 2.59Å; S275-S278 WeakPolarHBondContact O-CB 3.44Å; S275-S278 PolarHBondContact O-N 3.4Å; S275-S278 PolarHBondContact O-OG 2.9Å
276Y94.8Very high96.4Very high46 Ų4661.2 Ų61.218%0.1829%0.291CS..G310 helixtrans-64.5-25.9172.4-178.4-113.2000112.7D110 A112 Q113 K272 K273 T274 S278D110-Y276 PolarHBondContact OD2-OH 3.5Å; A112-Y276 HydrophobicContact CB-CE1 4.22Å; Q113-Y276 HydrophobicContact CG-CD1 4.15Å; Q113-Y276 HydrophobicContact CG-CE1 3.62Å; K272-Y276 HydrophobicContact CB-CD1 4.23Å; K272-Y276 HydrophobicContact CB-CG 4.25Å; K272-Y276 HydrophobicContact CD-CD1 3.58Å; K272-Y276 HydrophobicContact CD-CD2 3.9Å; K272-Y276 HydrophobicContact CD-CE1 3.67Å; K272-Y276 HydrophobicContact CD-CE2 4Å; K272-Y276 HydrophobicContact CD-CG 3.68Å; K272-Y276 HydrophobicContact CG-CD1 4.46Å; K272-Y276 VanDerWaalsContact NZ-CE2 3.33Å; K272-Y276 PolarHBondContact NZ-OH 3.16Å; K273-Y276 WeakPolarHBondContact O-CB 3.22Å; K273-Y276 PolarHBondContact O-N 3.17Å; T274-Y276 PolarHBondContact O-N 3.4Å; Y276-S278 PolarHBondContact O-N 3.38Å
277L97.8Very high96.2Very high0 Ų064.1 Ų64.10%030%0.302CS..G310 helixtrans-74.4-12.7177.7-57177.8000112.6Q113 T116 M117 L145 V151 T274 S275 E279 L280 I281Q113-L277 HydrophobicContact CB-CD2 4.07Å; Q113-L277 HydrophobicContact CG-CD2 4.22Å; T116-L277 HydrophobicContact CG2-CD1 3.95Å; T116-L277 HydrophobicContact CG2-CD2 4.37Å; T116-L277 HydrophobicContact CG2-CG 4.09Å; M117-L277 HydrophobicContact CG-CD1 3.72Å; M117-L277 HydrophobicContact CG-CD2 4.21Å; L145-L277 HydrophobicContact CD2-CB 4.18Å; L145-L277 HydrophobicContact CD2-CD1 4.05Å; V151-L277 HydrophobicContact CG2-CD1 3.55Å; T274-L277 VanDerWaalsContact O-CB 3.3Å; T274-L277 WeakPolarHBondContact O-CB 3.47Å; T274-L277 PolarHBondContact O-N 3.03Å; S275-L277 PolarHBondContact O-N 2.59Å; L277-E279 PolarHBondContact O-N 3.18Å; L277-L280 HydrophobicContact CD2-CD1 4.13Å; L277-L280 WeakPolarHBondContact O-CB 3.32Å; L277-L280 PolarHBondContact O-N 3.42Å; L277-I281 PolarHBondContact O-N 2.74Å
278S95.2Very high95.8Very high38 Ų3869.3 Ų69.327%0.26632%0.321SS..Hα-helixtrans-58.3-31.8173.162.40000112.6S275 Y276 L280 I281 D282S275-S278 WeakPolarHBondContact O-CB 3.44Å; S275-S278 PolarHBondContact O-N 3.4Å; S275-S278 PolarHBondContact O-OG 2.9Å; Y276-S278 PolarHBondContact O-N 3.38Å; S278-L280 VanDerWaalsContact C-N 3.27Å; S278-L280 PolarHBondContact O-N 3.03Å; S278-I281 WeakPolarHBondContact O-CB 3.32Å; S278-I281 PolarHBondContact O-N 3.44Å; S278-I281 VanDerWaalsContact O-N 3.13Å; S278-D282 PolarHBondContact O-N 3.01Å
279E94.6Very high95.4Very high108 Ų10871.2 Ų71.251%0.50532%0.324SS..Hα-helixtrans-61.8-35175.6-64.6179.9-173.800112.4L277 R283L277-E279 PolarHBondContact O-N 3.18Å; E279-R283 VanDerWaalsContact O-CB 3.3Å; E279-R283 WeakPolarHBondContact O-CB 3.48Å; E279-R283 PolarHBondContact O-N 3.25Å
280L95.9Very high95.1Very high2 Ų271.3 Ų71.31%0.0133%0.326CS..Hα-helixtrans-68.9-41.6174.8-71.7179.5000111.6L103 F109 Q113 L277 S278 R283 Y284L103-L280 HydrophobicContact CD1-CB 4.4Å; L103-L280 HydrophobicContact CD2-CB 4.49Å; F109-L280 HydrophobicContact CD1-CD1 3.66Å; F109-L280 HydrophobicContact CD1-CD2 3.65Å; F109-L280 HydrophobicContact CD1-CG 4.32Å; F109-L280 HydrophobicContact CE1-CD1 3.69Å; F109-L280 HydrophobicContact CE1-CD2 3.83Å; F109-L280 HydrophobicContact CE1-CG 4.33Å; F109-L280 HydrophobicContact CG-CD1 4.4Å; F109-L280 HydrophobicContact CZ-CD1 4.42Å; Q113-L280 HydrophobicContact CB-CD1 3.95Å; Q113-L280 HydrophobicContact CG-CD1 3.86Å; Q113-L280 HydrophobicContact CG-CG 4.22Å; Q113-L280 VanDerWaalsContact NE2-CD2 3.28Å; L277-L280 HydrophobicContact CD2-CD1 4.13Å; L277-L280 WeakPolarHBondContact O-CB 3.32Å; L277-L280 PolarHBondContact O-N 3.42Å; S278-L280 VanDerWaalsContact C-N 3.27Å; S278-L280 PolarHBondContact O-N 3.03Å; L280-R283 VanDerWaalsContact CD2-NH2 3.29Å; L280-R283 WeakPolarHBondContact O-CB 3.32Å; L280-R283 PolarHBondContact O-N 3.45Å; L280-Y284 PolarHBondContact O-N 3.44Å
281I96.1Very high94.3Very high5 Ų572.1 Ų72.13%0.02635%0.345CS..Hα-helixtrans-63.6-45.7179.1-61.6165.7000109.8L103 L145 S146 L277 S278 R283 Y284 R285L103-I281 HydrophobicContact CD1-CG1 4.49Å; L103-I281 HydrophobicContact CD2-CG1 4.27Å; L145-I281 HydrophobicContact CB-CD1 4.36Å; S146-I281 WeakPolarHBondContact O-CD1 3.46Å; L277-I281 PolarHBondContact O-N 2.74Å; S278-I281 WeakPolarHBondContact O-CB 3.32Å; S278-I281 PolarHBondContact O-N 3.44Å; S278-I281 VanDerWaalsContact O-N 3.13Å; I281-R283 VanDerWaalsContact C-N 3.32Å; I281-R283 PolarHBondContact O-N 2.97Å; I281-Y284 PolarHBondContact O-N 3.07Å; I281-R285 WeakPolarHBondContact O-CB 3.36Å; I281-R285 PolarHBondContact O-N 3.45Å
282D96Very high93.4Very high70 Ų7075 Ų7537%0.37436%0.355SS..Hα-helixtrans-66.2-35.1176.7-72.4-24.2000112.3S278 R285 R286S278-D282 PolarHBondContact O-N 3.01Å; D282-R285 IonicContact OD1-NH1 3.54Å; D282-R285 PolarHBondContact OD1-NH1 2.78Å; D282-R285 VanDerWaalsContact OD1-NH1 3.08Å; D282-R286 PolarHBondContact O-N 3.43Å; D282-R286 VanDerWaalsContact O-N 3.08Å; D282-R286 PolarHBondContact O-NE 3.08Å
283R96.1Very high91.7Very high63 Ų6374 Ų7424%0.23836%0.361CS..Hα-helixtrans-63.1-45.9173.5-174.9-18068.71709.4111A106 G107 P108 E279 L280 I281 R286 W287A106-R283 HydrophobicContact CB-CG 4.19Å; A106-R283 PolarHBondContact O-NE 3.29Å; G107-R283 PolarHBondContact O-NH2 3.15Å; P108-R283 PolarHBondContact O-NH1 3.16Å; P108-R283 PolarHBondContact O-NH2 3.1Å; E279-R283 VanDerWaalsContact O-CB 3.3Å; E279-R283 WeakPolarHBondContact O-CB 3.48Å; E279-R283 PolarHBondContact O-N 3.25Å; L280-R283 VanDerWaalsContact CD2-NH2 3.29Å; L280-R283 WeakPolarHBondContact O-CB 3.32Å; L280-R283 PolarHBondContact O-N 3.45Å; I281-R283 VanDerWaalsContact C-N 3.32Å; I281-R283 PolarHBondContact O-N 2.97Å; R283-R286 PolarHBondContact O-N 3.34Å; R283-W287 WeakPolarHBondContact O-CB 3.46Å; R283-W287 PolarHBondContact O-N 3.31Å
284Y95.8Very high89.6Confident29 Ų2968 Ų6811%0.11434%0.336CS..Hα-helixtrans-66.2-40.5177.5177.4-117.6000112.5D102 L103 K105 A106 L280 I281 R286 W287 R288D102-Y284 HydrophobicContact CB-CE1 4.11Å; D102-Y284 HydrophobicContact CB-CE2 4.28Å; D102-Y284 WeakPolarHBondContact O-CD2 3.4Å; D102-Y284 WeakPolarHBondContact O-CE2 3.36Å; L103-Y284 HydrophobicContact CD2-CD1 4.1Å; L103-Y284 HydrophobicContact CD2-CG 3.99Å; K105-Y284 HydrophobicContact CB-CE2 4.49Å; K105-Y284 HydrophobicContact CD-CE2 4.44Å; A106-Y284 HydrophobicContact CB-CD2 4.2Å; L280-Y284 PolarHBondContact O-N 3.44Å; I281-Y284 PolarHBondContact O-N 3.07Å; Y284-R286 PolarHBondContact O-N 3.44Å; Y284-W287 AromaticContact CD2-CE3 3.9Å; Y284-W287 HydrophobicContact CD2-CE3 3.9Å; Y284-W287 HydrophobicContact CD2-CZ3 4.43Å; Y284-W287 AromaticContact CE2-CE3 3.71Å; Y284-W287 HydrophobicContact CE2-CE3 3.71Å; Y284-W287 AromaticContact CE2-CZ3 3.81Å; Y284-W287 HydrophobicContact CE2-CZ3 3.81Å; Y284-W287 PolarHBondContact O-N 2.8Å; Y284-R288 HydrophobicContact CD2-CG 4.31Å; Y284-R288 HydrophobicContact CE1-CG 4.08Å; Y284-R288 HydrophobicContact CE2-CG 3.84Å; Y284-R288 WeakPolarHBondContact O-CG 3.43Å; Y284-R288 PolarHBondContact O-N 3.15Å
285R93.9Very high87Confident105 Ų10571.7 Ų71.740%0.39636%0.364SS..Hα-helixtrans-58.3-47.4175.1-174-177.9-71.9135.5-6.4111.7I281 D282 R288 E289I281-R285 WeakPolarHBondContact O-CB 3.36Å; I281-R285 PolarHBondContact O-N 3.45Å; D282-R285 IonicContact OD1-NH1 3.54Å; D282-R285 PolarHBondContact OD1-NH1 2.78Å; D282-R285 VanDerWaalsContact OD1-NH1 3.08Å; R285-R288 WeakPolarHBondContact O-CB 3.41Å; R285-R288 PolarHBondContact O-N 2.9Å; R285-E289 WeakPolarHBondContact CG-OE1 3.25Å; R285-E289 WeakPolarHBondContact O-CG 3.33Å; R285-E289 PolarHBondContact O-N 3.35Å
286R94.6Very high84.5Confident132 Ų13272.3 Ų72.350%0.49837%0.368SS..Hα-helixtrans-61.2-45.2175.6-77.9178.3-83.2119.7-7.2112.3D282 R283 Y284 R288 E289 E290D282-R286 PolarHBondContact O-N 3.43Å; D282-R286 VanDerWaalsContact O-N 3.08Å; D282-R286 PolarHBondContact O-NE 3.08Å; R283-R286 PolarHBondContact O-N 3.34Å; Y284-R286 PolarHBondContact O-N 3.44Å; R286-R288 VanDerWaalsContact C-N 3.29Å; R286-R288 PolarHBondContact O-N 2.62Å; R286-E289 PolarHBondContact O-N 2.93Å; R286-E289 VanDerWaalsContact O-N 3.15Å; R286-E290 WeakPolarHBondContact O-CG 3.44Å; R286-E290 PolarHBondContact O-N 2.91Å
287W94.4Very high82Confident61 Ų6174.1 Ų74.123%0.23139%0.388CS..Hα-helixtrans-57.9-41176.6179.684.1000112.2K105 A106 R283 Y284 H292K105-W287 HydrophobicContact CB-CE3 4.5Å; K105-W287 HydrophobicContact CB-CH2 3.86Å; K105-W287 HydrophobicContact CB-CZ2 4.14Å; K105-W287 HydrophobicContact CB-CZ3 4.05Å; K105-W287 HydrophobicContact CD-CH2 4.15Å; K105-W287 HydrophobicContact CD-CZ3 4.24Å; A106-W287 HydrophobicContact CB-CB 3.84Å; A106-W287 HydrophobicContact CB-CD2 4.44Å; A106-W287 HydrophobicContact CB-CG 3.96Å; R283-W287 WeakPolarHBondContact O-CB 3.46Å; R283-W287 PolarHBondContact O-N 3.31Å; Y284-W287 AromaticContact CD2-CE3 3.9Å; Y284-W287 HydrophobicContact CD2-CE3 3.9Å; Y284-W287 HydrophobicContact CD2-CZ3 4.43Å; Y284-W287 AromaticContact CE2-CE3 3.71Å; Y284-W287 HydrophobicContact CE2-CE3 3.71Å; Y284-W287 AromaticContact CE2-CZ3 3.81Å; Y284-W287 HydrophobicContact CE2-CZ3 3.81Å; Y284-W287 PolarHBondContact O-N 2.8Å; W287-H292 AromaticContact CD1-CD2 3.53Å; W287-H292 HydrophobicContact CD2-CB 3.81Å; W287-H292 VanDerWaalsContact CE2-CB 3.45Å; W287-H292 AromaticContact CE2-CD2 3.93Å; W287-H292 AromaticContact CE2-CG 3.79Å; W287-H292 HydrophobicContact CE3-CB 4.12Å; W287-H292 HydrophobicContact CG-CB 4.45Å; W287-H292 HydrophobicContact CH2-CB 3.77Å; W287-H292 WeakPolarHBondContact CH2-O 2.9Å; W287-H292 HydrophobicContact CZ2-CB 3.45Å; W287-H292 VanDerWaalsContact CZ2-CB 3.45Å; W287-H292 HydrophobicContact CZ3-CB 4.09Å; W287-H292 VanDerWaalsContact CZ3-O 3.31Å; W287-H292 WeakPolarHBondContact CZ3-O 3.09Å; W287-H292 AromaticContact NE1-CD2 3.44Å; W287-H292 PolarHBondContact NE1-CD2 3.43Å; W287-H292 AromaticContact NE1-CG 3.69Å; W287-H292 WeakPolarHBondContact O-CB 3.43Å; W287-H292 PolarHBondContact O-CD2 2.96Å
288R90.6Very high78.9Confident112 Ų11280.4 Ų80.442%0.42342%0.421SS..Hα-helixtrans-65.2-42.3174.4-77.3-78.9-60.3-159.53.3112.9Y284 R285 R286 E290 G291 D294Y284-R288 HydrophobicContact CD2-CG 4.31Å; Y284-R288 HydrophobicContact CE1-CG 4.08Å; Y284-R288 HydrophobicContact CE2-CG 3.84Å; Y284-R288 WeakPolarHBondContact O-CG 3.43Å; Y284-R288 PolarHBondContact O-N 3.15Å; R285-R288 WeakPolarHBondContact O-CB 3.41Å; R285-R288 PolarHBondContact O-N 2.9Å; R286-R288 VanDerWaalsContact C-N 3.29Å; R286-R288 PolarHBondContact O-N 2.62Å; R288-E290 VanDerWaalsContact C-N 3.3Å; R288-E290 PolarHBondContact O-N 3.27Å; R288-G291 PolarHBondContact O-N 3Å; R288-D294 IonicContact NH1-OD2 2.73Å; R288-D294 PolarHBondContact NH1-OD2 2.93Å
289E90.2Very high76Confident141 Ų14186.8 Ų86.866%0.65945%0.452SS*.Hα-helixtrans-68.1-28-179.2-74.2169.7-17500113R285 R286 G291R285-E289 WeakPolarHBondContact CG-OE1 3.25Å; R285-E289 WeakPolarHBondContact O-CG 3.33Å; R285-E289 PolarHBondContact O-N 3.35Å; R286-E289 PolarHBondContact O-N 2.93Å; R286-E289 VanDerWaalsContact O-N 3.15Å; E289-G291 PolarHBondContact O-N 3.03Å; E289-G291 VanDerWaalsContact O-N 3.07Å
290E90.7Very high73.1Confident142 Ų14285.7 Ų85.766%0.66446%0.457SS*.THydrogen-bonded Turntrans-71.36.6175.4-72.5169.5-171.600113.7R286 R288R286-E290 WeakPolarHBondContact O-CG 3.44Å; R286-E290 PolarHBondContact O-N 2.91Å; R288-E290 VanDerWaalsContact C-N 3.3Å; R288-E290 PolarHBondContact O-N 3.27Å
291G80.6Confident70.2Confident55 Ų5594.1 Ų94.157%0.56750%0.502SS*.THydrogen-bonded Turntrans87.111.7175.200000113.9R288 E289 S293R288-G291 PolarHBondContact O-N 3Å; E289-G291 PolarHBondContact O-N 3.03Å; E289-G291 VanDerWaalsContact O-N 3.07Å; G291-S293 PolarHBondContact O-N 3.19Å
292H76.3Confident67.2Low92 Ų9298.9 Ų98.943%0.42654%0.535SS..  trans-76.954.7167.7-59.1-60.4000110.9W287W287-H292 AromaticContact CD1-CD2 3.53Å; W287-H292 HydrophobicContact CD2-CB 3.81Å; W287-H292 VanDerWaalsContact CE2-CB 3.45Å; W287-H292 AromaticContact CE2-CD2 3.93Å; W287-H292 AromaticContact CE2-CG 3.79Å; W287-H292 HydrophobicContact CE3-CB 4.12Å; W287-H292 HydrophobicContact CG-CB 4.45Å; W287-H292 HydrophobicContact CH2-CB 3.77Å; W287-H292 WeakPolarHBondContact CH2-O 2.9Å; W287-H292 HydrophobicContact CZ2-CB 3.45Å; W287-H292 VanDerWaalsContact CZ2-CB 3.45Å; W287-H292 HydrophobicContact CZ3-CB 4.09Å; W287-H292 VanDerWaalsContact CZ3-O 3.31Å; W287-H292 WeakPolarHBondContact CZ3-O 3.09Å; W287-H292 AromaticContact NE1-CD2 3.44Å; W287-H292 PolarHBondContact NE1-CD2 3.43Å; W287-H292 AromaticContact NE1-CG 3.69Å; W287-H292 WeakPolarHBondContact O-CB 3.43Å; W287-H292 PolarHBondContact O-CD2 2.96Å
293S61.6Low64.4Low79 Ų79104.7 Ų104.755%0.55256%0.56SS**  trans-66.6133.3173.857.70000109.7G291 S295G291-S293 PolarHBondContact O-N 3.19Å; S293-S295 PolarHBondContact O-N 3.1Å; S293-S295 VanDerWaalsContact O-N 3.1Å
294D54Low61.2Low41 Ų41106.5 Ų106.522%0.21958%0.582CS.*  trans-55.1117.6165.6-67.1-61000108.5K105 R288 S296 S297K105-D294 VanDerWaalsContact NZ-CG 3.28Å; K105-D294 IonicContact NZ-OD1 2.81Å; K105-D294 PolarHBondContact NZ-OD1 3.49Å; K105-D294 IonicContact NZ-OD2 2.78Å; K105-D294 PolarHBondContact NZ-OD2 3.04Å; K105-D294 VanDerWaalsContact NZ-OD2 3.11Å; R288-D294 IonicContact NH1-OD2 2.73Å; R288-D294 PolarHBondContact NH1-OD2 2.93Å; D294-S296 PolarHBondContact O-N 3.33Å; D294-S297 PolarHBondContact O-OG 2.81Å
295S41.1Very low58.1Low117 Ų117110.2 Ų110.282%0.81861%0.613SS**THydrogen-bonded Turntrans-65.920.4172.7-168.80000113.1S293S293-S295 PolarHBondContact O-N 3.1Å; S293-S295 VanDerWaalsContact O-N 3.1Å
296S43.8Very low55.1Low81 Ų81112.7 Ų112.757%0.56663%0.634SS**THydrogen-bonded Turntrans-96.916.5177.662.80000113.3R22 D294R22-S296 PolarHBondContact NH2-O 3.28Å; D294-S296 PolarHBondContact O-N 3.33Å
297S42.2Very low52.1Low84 Ų84116.7 Ų116.759%0.58766%0.655SS**SBendtrans-126.47.2-175.255.10000116.8D294D294-S297 PolarHBondContact O-OG 2.81Å
298D33.1Very low48.9Very low131 Ų131122.9 Ų122.970%0.70169%0.686SS**  trans-110.387171.8-99.3-30.8000111.7S300D298-S300 PolarHBondContact OD1-OG 3.24Å
299D34.3Very low46Very low173 Ų173124.5 Ų124.593%0.92570%0.703SS**  trans-107.369.7143.5-92.9-36.2000106.1
300S34.4Very low43Very low85 Ų85123 Ų12359%0.59471%0.709SS**  trans-83.2106.2162.2-71.40000107.3D298 S302D298-S300 PolarHBondContact OD1-OG 3.24Å; S300-S302 PolarHBondContact O-N 3.12Å
301D35.6Very low40.1Very low179 Ų179125.4 Ų125.496%0.95772%0.72SS**  trans-52.597168-90.7-37.5000110.2
302S32.9Very low37.6Very low105 Ų105127.4 Ų127.473%0.73473%0.725SS**  trans-148110.515961.10000110.5S300 S304S300-S302 PolarHBondContact O-N 3.12Å; S302-S304 PolarHBondContact O-N 3.41Å
303E36Very low35.3Very low191 Ų191128.4 Ų128.489%0.89374%0.74SS**  trans-48.3119.3166.5-80.5-107.9154.500112.1
304S29.6Very low33.9Very low101 Ų101132.7 Ų132.771%0.70675%0.751SS**  151.6128.9114.459.90000115.1S302S302-S304 PolarHBondContact O-N 3.41Å
305S30.1Very low32.8Very low107 Ų107138.8 Ų138.875%0.74877%0.771SS**  trans77.3107.8148.468.70000122.1
306N31.5Very low32.2Very low158 Ų158136.7 Ų136.785%0.84576%0.756SS**  trans44.1111.6140.1-71.8-7.2000120.4
307K31.2Very low31.6Very low216 Ų216139.1 Ų139.194%0.93976%0.757SS**  -164.7148.4120.7-108.8171.5-173.3179.80113.5
308E28.2Very low31Very low190 Ų190137.9 Ų137.989%0.88875%0.746SS**  trans-76.1146.1-171.3-70.2172.5149.700115
309N28.5Very low31Very low146 Ų146136.2 Ų136.278%0.78174%0.741SS**  trans69.5101.7136.8-146.326.4000120.8
310S27.4Very low30.6Very low111 Ų111133.9 Ų133.978%0.77673%0.732SS**  trans-155103.2137.565.20000109.8S312S310-S312 PolarHBondContact O-N 2.66Å
311E30.5Very low30.3Very low191 Ų191136.1 Ų136.189%0.89373%0.728SS**  trans-71.1111.3173.5-73-176.6157.700110.4
312S27.6Very low30Very low97 Ų97136.9 Ų136.968%0.67872%0.723SS**  trans-129.7136.9156.7600000107.2S310 E314S310-S312 PolarHBondContact O-N 2.66Å; S312-E314 PolarHBondContact O-N 2.74Å
313P28.7Very low29.6Very low114 Ų114141.7 Ų141.774%0.7473%0.73SS**  trans-73.8108.9-166.827.1-30.9000110.5W315P313-W315 VanDerWaalsContact O-CD1 3.24Å; P313-W315 PolarHBondContact O-N 3.44Å
314E31.1Very low29.1Very low168 Ų168142 Ų14279%0.78573%0.729SS**  trans-69.9114172.6-169.4179177.800109.7S312 S316S312-E314 PolarHBondContact O-N 2.74Å; E314-S316 PolarHBondContact O-N 3.3Å; E314-S316 VanDerWaalsContact O-N 3.12Å
315W31.1Very low29.1Very low170 Ų170143.2 Ų143.264%0.64473%0.734SS**  trans-81.588.9179.1-74.580.2000110.5S213 P313 F317S213-W315 WeakPolarHBondContact O-CH2 3.34Å; P313-W315 VanDerWaalsContact O-CD1 3.24Å; P313-W315 PolarHBondContact O-N 3.44Å; W315-F317 AromaticContact CE3-CE2 3.75Å; W315-F317 HydrophobicContact CE3-CE2 3.75Å; W315-F317 AromaticContact CE3-CZ 3.99Å; W315-F317 HydrophobicContact CE3-CZ 3.99Å; W315-F317 HydrophobicContact CZ3-CE2 4.17Å; W315-F317 AromaticContact CZ3-CZ 3.97Å; W315-F317 HydrophobicContact CZ3-CZ 3.97Å
316S29.3Very low29.1Very low72 Ų72147.4 Ų147.450%0.50374%0.742SS.*  trans-102104.2168.1-178.90000110.2E314 T318E314-S316 PolarHBondContact O-N 3.3Å; E314-S316 VanDerWaalsContact O-N 3.12Å; S316-T318 PolarHBondContact O-N 2.88Å; S316-T318 VanDerWaalsContact OG-CG2 3.25Å; S316-T318 WeakPolarHBondContact OG-CG2 3.42Å; S316-T318 PolarHBondContact OG-OG1 3.26Å; S316-T318 VanDerWaalsContact OG-OG1 3.04Å
317F31.3Very low28.9Very low133 Ų133143.7 Ų143.758%0.58374%0.741SS**  trans-78.773.9164-77-80.6000109.2T175 W315T175-F317 HydrophobicContact CG2-CD1 4.2Å; T175-F317 HydrophobicContact CG2-CE1 3.48Å; T175-F317 VanDerWaalsContact CG2-CE1 3.48Å; T175-F317 HydrophobicContact CG2-CE2 4.47Å; T175-F317 HydrophobicContact CG2-CZ 3.64Å; W315-F317 AromaticContact CE3-CE2 3.75Å; W315-F317 HydrophobicContact CE3-CE2 3.75Å; W315-F317 AromaticContact CE3-CZ 3.99Å; W315-F317 HydrophobicContact CE3-CZ 3.99Å; W315-F317 HydrophobicContact CZ3-CE2 4.17Å; W315-F317 AromaticContact CZ3-CZ 3.97Å; W315-F317 HydrophobicContact CZ3-CZ 3.97Å
318T29.5Very low28.7Very low57 Ų57145.5 Ų145.535%0.3574%0.742SS.*  trans-114.8132.9169.750.20000110.2S316 V320S316-T318 PolarHBondContact O-N 2.88Å; S316-T318 VanDerWaalsContact OG-CG2 3.25Å; S316-T318 WeakPolarHBondContact OG-CG2 3.42Å; S316-T318 PolarHBondContact OG-OG1 3.26Å; S316-T318 VanDerWaalsContact OG-OG1 3.04Å; T318-V320 PolarHBondContact O-N 3.05Å
319T32.1Very low28.7Very low96 Ų96146.4 Ų146.459%0.58974%0.743SS**  trans-59.4106.4161-53.40000108.5T171 R321T171-T319 HydrophobicContact CG2-CG2 3.61Å; T319-R321 PolarHBondContact O-N 3.41Å
320V25.4Very low28.7Very low124 Ų124145.6 Ų145.675%0.75274%0.743SS**  trans-73.894.9179-179.90000109T318T318-V320 PolarHBondContact O-N 3.05Å
321R29.8Very low28.5Very low132 Ų132148.5 Ų148.550%0.49875%0.749SS.*PPolyproline II helixtrans-91.7119.6161.9-73.3-175.6-179.4169.76.1108.8E52 E56 T319E52-R321 PolarHBondContact O-NH1 2.92Å; E56-R321 IonicContact OE1-NH2 3.21Å; E56-R321 PolarHBondContact OE1-NH2 3.38Å; T319-R321 PolarHBondContact O-N 3.41Å
322K27.8Very low28.5Very low195 Ų195147 Ų14785%0.84875%0.747SS**PPolyproline II helixtrans-66.6130174.4-82.1179.4174.7173.20110.4K324K322-K324 PolarHBondContact O-N 3.25Å
323K25Very low28.4Very low207 Ų207145.4 Ų145.490%0.975%0.746SS**PPolyproline II helixtrans-52.2128.7169.1-83.6179.5172.5175.40111
324K26.2Very low28.7Very low198 Ų198146.9 Ų146.986%0.86175%0.753SS**PPolyproline II helixtrans-67.8133.9159-95.5177.7175.3171.10108.4K322K322-K324 PolarHBondContact O-N 3.25Å
325P29.1Very low28.5Very low126 Ų126145.8 Ų145.882%0.81876%0.758SS**PPolyproline II helixtrans-76.8125.1167.528.6-27000109.5
326E29.8Very low28.5Very low194 Ų194146.6 Ų146.691%0.90777%0.769SS**PPolyproline II helixtrans-74.8135.8170.5-72.6-171.2147.400111.9
327G28.4Very low28.7Very low80 Ų80150.6 Ų150.683%0.82579%0.785SS**  trans72.7103135.900000119.4
328R26.6Very low28.9Very low254 Ų254153.1 Ų153.196%0.95880%0.798SS**  trans-120124.2145-133.3175.6-171.9170.22.5110
329K27.8Very low29.6Very low210 Ų210156.9 Ų156.991%0.91382%0.815SS**  trans-61.4145.6-176-72.1175.8174.6176.30112.5
330V27.9Very low30.4Very low129 Ų129157.5 Ų157.578%0.78282%0.823SS**  trans-61.6138177.3-178.40000112.1
331L24.6Very low32.1Very low171 Ų171161 Ų16190%0.89583%0.829SS**  trans-143.5134.5151.3-102.3140.8000109.1
332N29.2Very low34.2Very low161 Ų161155.1 Ų155.186%0.86181%0.807SS**  trans-49149.6-171.7-73.1-27.1000116.3
333G26.8Very low36.8Very low63 Ų63149.2 Ų149.265%0.64979%0.791SS**  trans136106.5151.100000114.3T335G333-T335 PolarHBondContact O-N 3.22Å
334T34.4Very low39.7Very low145 Ų145140.1 Ų140.189%0.8975%0.754SS**  trans-18.6118.3162.839.70000116
335T27.5Very low42.6Very low145 Ų145132.2 Ų132.289%0.8972%0.72SS**  trans-160.1137.9150.513.20000109.9G333G333-T335 PolarHBondContact O-N 3.22Å
336Q29.9Very low45.2Very low187 Ų187129.8 Ų129.887%0.87471%0.707SS**  trans-58.3143.4-171.8-73.4162.3-41.200114Q338Q336-Q338 PolarHBondContact O-N 2.79Å; Q336-Q338 VanDerWaalsContact O-N 3.09Å
337D33.9Very low47.9Very low156 Ų156124.4 Ų124.483%0.83469%0.687SS**  trans-48.2108.7165.6-83.2-40.8000111.8
338Q35.6Very low50.7Low185 Ų185124.3 Ų124.386%0.86467%0.667SS**  trans-112.993.5155.4-76.7-167.9600108.2Q336 S340Q336-Q338 PolarHBondContact O-N 2.79Å; Q336-Q338 VanDerWaalsContact O-N 3.09Å; Q338-S340 PolarHBondContact O-N 3.09Å
339L43.2Very low53.6Low136 Ų136113.1 Ų113.171%0.71263%0.626SS**  trans-58.3117.4162.6-80.6124.9000108.4K341 P385L339-K341 PolarHBondContact O-N 2.69Å; L339-K341 VanDerWaalsContact O-N 3.16Å; L339-P385 HydrophobicContact CD2-CG 4.4Å
340S50.2Low56.5Low109 Ų109104.8 Ų104.876%0.76259%0.594SS**  trans-62.9114.9177.858.50000109.9Q338Q338-S340 PolarHBondContact O-N 3.09Å
341K59.5Low59.4Low199 Ų199101.7 Ų101.787%0.86558%0.577SS**  trans-61.2136.2172.7-71.4177.9176.8177.70109.9L339 S343L339-K341 PolarHBondContact O-N 2.69Å; L339-K341 VanDerWaalsContact O-N 3.16Å; K341-S343 PolarHBondContact O-N 3.24Å
342S75.1Confident62.6Low7 Ų797.5 Ų97.55%0.04956%0.555CS.*  trans-57.2127.2173168.60000111.1L345 E381 D389S342-L345 PolarHBondContact OG-N 2.74Å; S342-E381 WeakPolarHBondContact CB-OE1 3.45Å; S342-D389 WeakPolarHBondContact CA-OD2 3.17Å; S342-D389 VanDerWaalsContact CB-OD2 3.23Å; S342-D389 WeakPolarHBondContact CB-OD2 3.25Å; S342-D389 PolarHBondContact OG-OD1 3.15Å; S342-D389 PolarHBondContact OG-OD2 2.84Å
343S83.2Confident65.6Low72 Ų7290.5 Ų90.550%0.50352%0.517SS..Hα-helixtrans-66.7-48.2178.9-1770000110.1K341 L345 S346 T347K341-S343 PolarHBondContact O-N 3.24Å; S343-L345 VanDerWaalsContact C-N 3.3Å; S343-L345 PolarHBondContact O-N 3.02Å; S343-S346 PolarHBondContact O-N 3.39Å; S343-S346 PolarHBondContact O-OG 3.27Å; S343-T347 WeakPolarHBondContact O-CB 3.37Å; S343-T347 WeakPolarHBondContact O-CG2 3.39Å; S343-T347 PolarHBondContact O-N 2.99Å; S343-T347 PolarHBondContact O-OG1 3.29Å
344S85.9Confident68.6Low16 Ų1690.9 Ų90.911%0.11251%0.509CS..Hα-helixtrans-64.4-33.5-178.2-55.60000112.6S346 L348 I349 D389S344-S346 VanDerWaalsContact C-N 3.32Å; S344-S346 PolarHBondContact O-N 3.4Å; S344-L348 WeakPolarHBondContact O-CB 3.41Å; S344-L348 PolarHBondContact O-N 3.37Å; S344-I349 PolarHBondContact O-N 3.42Å; S344-D389 WeakPolarHBondContact CB-OD1 3.38Å; S344-D389 PolarHBondContact N-OD1 2.94Å; S344-D389 PolarHBondContact OG-OD1 3.33Å
345L86.8Confident71.2Confident31 Ų3189.7 Ų89.716%0.16249%0.493CS..Iπ-helixtrans-59.8-46.1176-174.366.9000111.1S342 S343 I349 S350 I377 E381 T388S342-L345 PolarHBondContact OG-N 2.74Å; S343-L345 VanDerWaalsContact C-N 3.3Å; S343-L345 PolarHBondContact O-N 3.02Å; L345-I349 HydrophobicContact CD1-CB 4.14Å; L345-I349 HydrophobicContact CD1-CG2 4.01Å; L345-S350 PolarHBondContact O-N 3.35Å; L345-S350 PolarHBondContact O-OG 2.7Å; L345-I377 HydrophobicContact CD1-CG2 3.94Å; L345-E381 HydrophobicContact CD2-CB 4.11Å; L345-E381 HydrophobicContact CD2-CG 3.83Å; L345-T388 HydrophobicContact CB-CG2 4.06Å; L345-T388 HydrophobicContact CD1-CG2 4.18Å
346S83.6Confident74.1Confident76 Ų7685.6 Ų85.653%0.53147%0.466SS..Iπ-helixtrans-79.7-33.9-178.366.30000114.3S343 S344S343-S346 PolarHBondContact O-N 3.39Å; S343-S346 PolarHBondContact O-OG 3.27Å; S344-S346 VanDerWaalsContact C-N 3.32Å; S344-S346 PolarHBondContact O-N 3.4Å
347T85.9Confident76.8Confident80 Ų8079 Ų7949%0.49143%0.434SS..Iπ-helixtrans-95.8-23.9-170.555.70000114.1S343S343-T347 WeakPolarHBondContact O-CB 3.37Å; S343-T347 WeakPolarHBondContact O-CG2 3.39Å; S343-T347 PolarHBondContact O-N 2.99Å; S343-T347 PolarHBondContact O-OG1 3.29Å
348L86.6Confident79.3Confident78 Ų7878.1 Ų78.141%0.40843%0.429SS..Iπ-helixtrans-121.8-53.9-176.1-64.4171.4000111.6S344 P351 I352 V392S344-L348 WeakPolarHBondContact O-CB 3.41Å; S344-L348 PolarHBondContact O-N 3.37Å; L348-P351 WeakPolarHBondContact O-CD 3.23Å; L348-I352 VanDerWaalsContact O-CD1 3.31Å; L348-I352 WeakPolarHBondContact O-CD1 3.13Å; L348-I352 WeakPolarHBondContact O-CG1 3.22Å; L348-I352 PolarHBondContact O-N 3.25Å; L348-V392 HydrophobicContact CD1-CG1 3.67Å; L348-V392 HydrophobicContact CD1-CG2 4.47Å
349I88.4Confident81.6Confident19 Ų1975.2 Ų75.210%0.09742%0.415CS..Iπ-helixtrans-69.6-53.9-171.5-60.7-57.5000111.5S344 L345 I352 F353 I377 T388 M391 V392S344-I349 PolarHBondContact O-N 3.42Å; L345-I349 HydrophobicContact CD1-CB 4.14Å; L345-I349 HydrophobicContact CD1-CG2 4.01Å; I349-I352 PolarHBondContact O-N 3.21Å; I349-I352 VanDerWaalsContact O-N 3.15Å; I349-F353 HydrophobicContact CG2-CD2 3.61Å; I349-F353 HydrophobicContact CG2-CE2 3.63Å; I349-F353 WeakPolarHBondContact O-CD2 3.42Å; I349-F353 PolarHBondContact O-N 2.63Å; I349-I377 HydrophobicContact CG2-CG2 4.22Å; I349-T388 HydrophobicContact CD1-CG2 4.47Å; I349-T388 HydrophobicContact CG1-CG2 3.57Å; I349-M391 HydrophobicContact CD1-CE 4.35Å; I349-V392 HydrophobicContact CD1-CG2 4.34Å
350S87.4Confident83.6Confident35 Ų3571.7 Ų71.725%0.24540%0.395CS..Hα-helixtrans-58.4-40.9-179.1-69.70000114.3L345 S354L345-S350 PolarHBondContact O-N 3.35Å; L345-S350 PolarHBondContact O-OG 2.7Å; S350-S354 WeakPolarHBondContact O-CB 3.36Å; S350-S354 PolarHBondContact O-N 3.28Å; S350-S354 PolarHBondContact O-OG 3.38Å
351P90.5Very high84.8Confident64 Ų6473.9 Ų73.942%0.41639%0.391SS..Hα-helixtrans-61.3-44.3171.9-27.336.3000113.8L348 F353 S354 E355L348-P351 WeakPolarHBondContact O-CD 3.23Å; P351-F353 PolarHBondContact O-N 3.16Å; P351-S354 WeakPolarHBondContact O-CB 3.23Å; P351-S354 PolarHBondContact O-N 2.88Å; P351-S354 VanDerWaalsContact O-N 3.14Å; P351-E355 PolarHBondContact O-N 3.08Å
352I91.8Very high85.5Confident84 Ų8473.2 Ų73.243%0.43139%0.391SS..Hα-helixtrans-59.8-46.3178.6-71.5166.4000110.8L348 I349 S354 E355 L356L348-I352 VanDerWaalsContact O-CD1 3.31Å; L348-I352 WeakPolarHBondContact O-CD1 3.13Å; L348-I352 WeakPolarHBondContact O-CG1 3.22Å; L348-I352 PolarHBondContact O-N 3.25Å; I349-I352 PolarHBondContact O-N 3.21Å; I349-I352 VanDerWaalsContact O-N 3.15Å; I352-S354 VanDerWaalsContact C-N 3.29Å; I352-S354 PolarHBondContact O-N 3.32Å; I352-E355 PolarHBondContact O-N 3.39Å; I352-L356 HydrophobicContact CG2-CD1 3.84Å; I352-L356 HydrophobicContact CG2-CG 4.33Å; I352-L356 WeakPolarHBondContact O-CB 3.32Å; I352-L356 WeakPolarHBondContact O-CG 3.45Å; I352-L356 PolarHBondContact O-N 2.74Å
353F92Very high85.7Confident14 Ų1478 Ų786%0.06141%0.412CS..Hα-helixtrans-64.6-35.5177.4-84.1-79000112.3I349 P351 K357 I370 L373 E374 I377I349-F353 HydrophobicContact CG2-CD2 3.61Å; I349-F353 HydrophobicContact CG2-CE2 3.63Å; I349-F353 WeakPolarHBondContact O-CD2 3.42Å; I349-F353 PolarHBondContact O-N 2.63Å; P351-F353 PolarHBondContact O-N 3.16Å; F353-K357 WeakPolarHBondContact O-CB 3.43Å; F353-K357 WeakPolarHBondContact O-CG 3.43Å; F353-K357 PolarHBondContact O-N 3.21Å; F353-I370 HydrophobicContact CD1-CG2 3.62Å; F353-I370 HydrophobicContact CE1-CG2 4.13Å; F353-I370 WeakPolarHBondContact CE1-O 3.36Å; F353-L373 HydrophobicContact CE1-CB 4.05Å; F353-L373 HydrophobicContact CE1-CD2 4.01Å; F353-L373 HydrophobicContact CE1-CG 4.02Å; F353-L373 HydrophobicContact CZ-CB 4.32Å; F353-L373 HydrophobicContact CZ-CD2 3.87Å; F353-L373 HydrophobicContact CZ-CG 3.82Å; F353-E374 HydrophobicContact CB-CB 4.46Å; F353-E374 HydrophobicContact CB-CG 4.15Å; F353-E374 HydrophobicContact CD1-CB 3.65Å; F353-E374 HydrophobicContact CD1-CG 4.19Å; F353-E374 HydrophobicContact CD2-CB 4.32Å; F353-E374 HydrophobicContact CD2-CG 4.11Å; F353-E374 HydrophobicContact CE1-CB 3.93Å; F353-E374 HydrophobicContact CG-CB 3.88Å; F353-E374 HydrophobicContact CG-CG 3.88Å; F353-E374 HydrophobicContact CZ-CB 4.4Å; F353-I377 HydrophobicContact CE2-CD1 3.6Å; F353-I377 HydrophobicContact CZ-CD1 3.64Å
354S88.9Confident85.5Confident71 Ų7178.7 Ų78.750%0.49742%0.417SS..Hα-helixtrans-64.5-41.2175.1-59.80000111.8S350 P351 I352 L358S350-S354 WeakPolarHBondContact O-CB 3.36Å; S350-S354 PolarHBondContact O-N 3.28Å; S350-S354 PolarHBondContact O-OG 3.38Å; P351-S354 WeakPolarHBondContact O-CB 3.23Å; P351-S354 PolarHBondContact O-N 2.88Å; P351-S354 VanDerWaalsContact O-N 3.14Å; I352-S354 VanDerWaalsContact C-N 3.29Å; I352-S354 PolarHBondContact O-N 3.32Å; S354-L358 PolarHBondContact O-N 3.01Å
355E89.8Confident85.3Confident119 Ų11985.7 Ų85.756%0.55645%0.448SS*.Hα-helixtrans-68.2-45.7177.3-170.9171.3-170.200112.1P351 I352 K357 L358 Q359P351-E355 PolarHBondContact O-N 3.08Å; I352-E355 PolarHBondContact O-N 3.39Å; E355-K357 VanDerWaalsContact C-N 3.32Å; E355-K357 PolarHBondContact O-N 3.48Å; E355-L358 WeakPolarHBondContact O-CA 3.4Å; E355-L358 WeakPolarHBondContact O-CB 3.41Å; E355-L358 PolarHBondContact O-N 3.14Å; E355-Q359 WeakPolarHBondContact O-CG 3.04Å; E355-Q359 PolarHBondContact O-N 3.16Å
356L87.3Confident85.1Confident59 Ų5988.3 Ų88.331%0.30946%0.459SS..Hα-helixtrans-59.8-40.6176.6-72.7172.7000112.1I352 L358 Q359 H360 I370I352-L356 HydrophobicContact CG2-CD1 3.84Å; I352-L356 HydrophobicContact CG2-CG 4.33Å; I352-L356 WeakPolarHBondContact O-CB 3.32Å; I352-L356 WeakPolarHBondContact O-CG 3.45Å; I352-L356 PolarHBondContact O-N 2.74Å; L356-L358 VanDerWaalsContact C-N 3.28Å; L356-L358 PolarHBondContact O-N 3.4Å; L356-Q359 PolarHBondContact O-N 2.97Å; L356-H360 PolarHBondContact O-CD2 3.39Å; L356-H360 PolarHBondContact O-N 2.98Å; L356-H360 VanDerWaalsContact O-N 3.09Å; L356-I370 HydrophobicContact CB-CD1 4.17Å; L356-I370 HydrophobicContact CB-CG2 4.21Å
357K87.7Confident85.2Confident49 Ų4989.5 Ų89.521%0.21345%0.452CS..Hα-helixtrans-65.2-32174.4-72.2174.8-167.9-174.60112.7F353 E355 I370 E371 E374F353-K357 WeakPolarHBondContact O-CB 3.43Å; F353-K357 WeakPolarHBondContact O-CG 3.43Å; F353-K357 PolarHBondContact O-N 3.21Å; E355-K357 VanDerWaalsContact C-N 3.32Å; E355-K357 PolarHBondContact O-N 3.48Å; K357-I370 HydrophobicContact CG-CG2 3.71Å; K357-E371 HydrophobicContact CD-CG 4.21Å; K357-E374 VanDerWaalsContact CE-OE2 3.25Å; K357-E374 WeakPolarHBondContact CE-OE2 3.43Å; K357-E374 IonicContact NZ-OE2 2.57Å; K357-E374 PolarHBondContact NZ-OE2 3.03Å
358L85Confident85.2Confident137 Ų13791.5 Ų91.572%0.71746%0.456SS*.Hα-helixtrans-72.7-39.2177.1-145.6103.4000111.4S354 E355 L356S354-L358 PolarHBondContact O-N 3.01Å; E355-L358 WeakPolarHBondContact O-CA 3.4Å; E355-L358 WeakPolarHBondContact O-CB 3.41Å; E355-L358 PolarHBondContact O-N 3.14Å; L356-L358 VanDerWaalsContact C-N 3.28Å; L356-L358 PolarHBondContact O-N 3.4Å
359Q85.1Confident85.2Confident125 Ų12590.5 Ų90.558%0.58446%0.459SS*.Hα-helixtrans-67.1-34.7177.6-71.3179.4-1.600112.5E355 L356E355-Q359 WeakPolarHBondContact O-CG 3.04Å; E355-Q359 PolarHBondContact O-N 3.16Å; L356-Q359 PolarHBondContact O-N 2.97Å
360H85.6Confident85.3Confident62 Ų6290.7 Ų90.729%0.28746%0.46SS..THydrogen-bonded Turntrans-101.931.1-179-68.6-83.4000113.9L356 E362 H363 Q366 I370L356-H360 PolarHBondContact O-CD2 3.39Å; L356-H360 PolarHBondContact O-N 2.98Å; L356-H360 VanDerWaalsContact O-N 3.09Å; H360-E362 VanDerWaalsContact C-N 3.26Å; H360-E362 PolarHBondContact O-N 3.3Å; H360-H363 PolarHBondContact O-N 3.21Å; H360-Q366 HydrophobicContact CB-CB 4.38Å; H360-Q366 PolarHBondContact ND1-OE1 2.94Å; H360-Q366 VanDerWaalsContact ND1-OE1 3.07Å; H360-I370 HydrophobicContact CB-CD1 4.18Å
361K73.8Confident85.3Confident154 Ų15492 Ų9267%0.6746%0.462SS*.THydrogen-bonded Turntrans-62-28.2-173.8-166.5177.2178.8-175.80114.4
362E74.4Confident85.4Confident186 Ų18694.2 Ų94.287%0.86947%0.467SS*.THydrogen-bonded Turntrans-92.9-6.4-178.4-60.4-164.8160.200114H360H360-E362 VanDerWaalsContact C-N 3.26Å; H360-E362 PolarHBondContact O-N 3.3Å
363H81.1Confident85.3Confident108 Ų10894.9 Ų94.950%0.547%0.471SS..  trans-113.597.4-177.4-70.4-81.3000111.6H360 E365 Q366 R367H360-H363 PolarHBondContact O-N 3.21Å; H363-E365 PolarHBondContact O-N 2.95Å; H363-Q366 HydrophobicContact CB-CB 4.14Å; H363-Q366 HydrophobicContact CB-CG 4.32Å; H363-Q366 PolarHBondContact O-N 3.18Å; H363-R367 PolarHBondContact O-N 3.18Å; H363-R367 VanDerWaalsContact O-N 3.12Å
364S77.8Confident85.3Confident85 Ų8595.4 Ų95.459%0.59447%0.473SS*.Hα-helixtrans-55.6-47.5-174.7-161.90000113.5Q366 R367 E368S364-Q366 PolarHBondContact O-N 3.21Å; S364-R367 PolarHBondContact O-N 3.03Å; S364-E368 PolarHBondContact O-N 3.43Å
365E82.4Confident85.4Confident163 Ų16398.5 Ų98.576%0.76247%0.474SS*.Hα-helixtrans-66.4-39.2-176.1-65.6179172.200112.8H363 R367 E368 A369H363-E365 PolarHBondContact O-N 2.95Å; E365-R367 VanDerWaalsContact C-N 3.34Å; E365-E368 PolarHBondContact O-N 3.2Å; E365-A369 PolarHBondContact O-N 2.97Å; E365-A369 VanDerWaalsContact O-N 3.09Å
366Q81.9Confident85.5Confident86 Ų8696.7 Ų96.740%0.40247%0.468SS..Hα-helixtrans-70.6-37180-69.3154.76.500110.7H360 H363 S364 A369 I370H360-Q366 HydrophobicContact CB-CB 4.38Å; H360-Q366 PolarHBondContact ND1-OE1 2.94Å; H360-Q366 VanDerWaalsContact ND1-OE1 3.07Å; H363-Q366 HydrophobicContact CB-CB 4.14Å; H363-Q366 HydrophobicContact CB-CG 4.32Å; H363-Q366 PolarHBondContact O-N 3.18Å; S364-Q366 PolarHBondContact O-N 3.21Å; Q366-A369 PolarHBondContact O-N 3.43Å; Q366-I370 WeakPolarHBondContact O-CD1 3.42Å; Q366-I370 WeakPolarHBondContact O-CG1 3.42Å; Q366-I370 PolarHBondContact O-N 2.94Å
367R86.7Confident85.6Confident101 Ų10195.5 Ų95.538%0.38146%0.462SS..Hα-helixtrans-65.1-41.8174.7-175.5175.7173.5171.50.9112.2H363 S364 E365 I370 E371H363-R367 PolarHBondContact O-N 3.18Å; H363-R367 VanDerWaalsContact O-N 3.12Å; S364-R367 PolarHBondContact O-N 3.03Å; E365-R367 VanDerWaalsContact C-N 3.34Å; R367-I370 PolarHBondContact O-N 2.58Å; R367-E371 IonicContact NE-OE1 3.22Å; R367-E371 PolarHBondContact NE-OE1 3.26Å; R367-E371 IonicContact NH2-OE1 3.95Å; R367-E371 WeakPolarHBondContact O-CG 3.42Å; R367-E371 PolarHBondContact O-N 3.16Å
368E85.3Confident85.5Confident123 Ų12396.8 Ų96.858%0.57547%0.469SS*.Hα-helixtrans-60.9-44.5175-77.3178.7-174.300111.7S364 E365 I370 E371 E372S364-E368 PolarHBondContact O-N 3.43Å; E365-E368 PolarHBondContact O-N 3.2Å; E368-I370 VanDerWaalsContact C-N 3.33Å; E368-I370 PolarHBondContact O-N 2.84Å; E368-E371 PolarHBondContact O-N 3.31Å; E368-E372 WeakPolarHBondContact O-CB 3.4Å; E368-E372 PolarHBondContact O-N 3Å
369A86.5Confident85.7Confident57 Ų5795.7 Ų95.747%0.47146%0.461SS..Hα-helixtrans-61.5-39.9175.900000112.6E365 Q366 E372 L373E365-A369 PolarHBondContact O-N 2.97Å; E365-A369 VanDerWaalsContact O-N 3.09Å; Q366-A369 PolarHBondContact O-N 3.43Å; A369-E372 PolarHBondContact O-N 3.01Å; A369-L373 WeakPolarHBondContact O-CB 3.33Å; A369-L373 PolarHBondContact O-N 3.43Å
370I89.9Confident85.8Confident23 Ų2391.9 Ų91.912%0.11845%0.451CS..Hα-helixtrans-65.5-41.3176.3-67.5161.7000110.8F353 L356 K357 H360 Q366 R367 E368 L373 E374F353-I370 HydrophobicContact CD1-CG2 3.62Å; F353-I370 HydrophobicContact CE1-CG2 4.13Å; F353-I370 WeakPolarHBondContact CE1-O 3.36Å; L356-I370 HydrophobicContact CB-CD1 4.17Å; L356-I370 HydrophobicContact CB-CG2 4.21Å; K357-I370 HydrophobicContact CG-CG2 3.71Å; H360-I370 HydrophobicContact CB-CD1 4.18Å; Q366-I370 WeakPolarHBondContact O-CD1 3.42Å; Q366-I370 WeakPolarHBondContact O-CG1 3.42Å; Q366-I370 PolarHBondContact O-N 2.94Å; R367-I370 PolarHBondContact O-N 2.58Å; E368-I370 VanDerWaalsContact C-N 3.33Å; E368-I370 PolarHBondContact O-N 2.84Å; I370-L373 PolarHBondContact O-N 3.29Å; I370-E374 PolarHBondContact O-N 3.37Å
371E88.6Confident86Confident61 Ų6189.8 Ų89.829%0.28544%0.442SS..Hα-helixtrans-67.9-37.2176.8-74.1177.9-170.700112.6K357 R367 E368 R375K357-E371 HydrophobicContact CD-CG 4.21Å; R367-E371 IonicContact NE-OE1 3.22Å; R367-E371 PolarHBondContact NE-OE1 3.26Å; R367-E371 IonicContact NH2-OE1 3.95Å; R367-E371 WeakPolarHBondContact O-CG 3.42Å; R367-E371 PolarHBondContact O-N 3.16Å; E368-E371 PolarHBondContact O-N 3.31Å; E371-R375 WeakPolarHBondContact O-CB 3.4Å; E371-R375 PolarHBondContact O-N 2.98Å; E371-R375 VanDerWaalsContact O-N 3.11Å
372E91.3Very high86.4Confident112 Ų11290.9 Ų90.952%0.52345%0.446SS..Hα-helixtrans-65.4-44.9173.9-170.9175.5-178.700112E368 A369 E374 R375 N376E368-E372 WeakPolarHBondContact O-CB 3.4Å; E368-E372 PolarHBondContact O-N 3Å; A369-E372 PolarHBondContact O-N 3.01Å; E372-E374 PolarHBondContact O-N 2.91Å; E372-R375 PolarHBondContact O-N 3.39Å; E372-N376 VanDerWaalsContact O-CG 3.32Å; E372-N376 PolarHBondContact O-N 3.45Å; E372-N376 PolarHBondContact O-ND2 2.9Å
373L90.1Very high87Confident97 Ų9787.8 Ų87.851%0.50844%0.44SS..Hα-helixtrans-62.9-43.2177.6-175.363.3000112.1F353 A369 I370 R375 N376 I377F353-L373 HydrophobicContact CE1-CB 4.05Å; F353-L373 HydrophobicContact CE1-CD2 4.01Å; F353-L373 HydrophobicContact CE1-CG 4.02Å; F353-L373 HydrophobicContact CZ-CB 4.32Å; F353-L373 HydrophobicContact CZ-CD2 3.87Å; F353-L373 HydrophobicContact CZ-CG 3.82Å; A369-L373 WeakPolarHBondContact O-CB 3.33Å; A369-L373 PolarHBondContact O-N 3.43Å; I370-L373 PolarHBondContact O-N 3.29Å; L373-R375 VanDerWaalsContact C-N 3.32Å; L373-R375 PolarHBondContact O-N 3.07Å; L373-N376 PolarHBondContact O-N 3.32Å; L373-I377 HydrophobicContact CG-CD1 4.36Å; L373-I377 WeakPolarHBondContact O-CG1 3.47Å; L373-I377 PolarHBondContact O-N 2.98Å; L373-I377 VanDerWaalsContact O-N 3.07Å
374E91.9Very high87.1Confident26 Ų2685.2 Ų85.212%0.12143%0.433CS..Hα-helixtrans-60.6-43.2175.6-169.3-176.6-17800111.5F353 K357 I370 E372 N376 I377 Q378F353-E374 HydrophobicContact CB-CB 4.46Å; F353-E374 HydrophobicContact CB-CG 4.15Å; F353-E374 HydrophobicContact CD1-CB 3.65Å; F353-E374 HydrophobicContact CD1-CG 4.19Å; F353-E374 HydrophobicContact CD2-CB 4.32Å; F353-E374 HydrophobicContact CD2-CG 4.11Å; F353-E374 HydrophobicContact CE1-CB 3.93Å; F353-E374 HydrophobicContact CG-CB 3.88Å; F353-E374 HydrophobicContact CG-CG 3.88Å; F353-E374 HydrophobicContact CZ-CB 4.4Å; K357-E374 VanDerWaalsContact CE-OE2 3.25Å; K357-E374 WeakPolarHBondContact CE-OE2 3.43Å; K357-E374 IonicContact NZ-OE2 2.57Å; K357-E374 PolarHBondContact NZ-OE2 3.03Å; I370-E374 PolarHBondContact O-N 3.37Å; E372-E374 PolarHBondContact O-N 2.91Å; E374-N376 VanDerWaalsContact C-N 3.31Å; E374-N376 PolarHBondContact O-N 2.98Å; E374-I377 PolarHBondContact O-N 3.18Å; E374-Q378 WeakPolarHBondContact O-CG 3.39Å; E374-Q378 PolarHBondContact O-N 3.22Å; E374-Q378 PolarHBondContact OE1-NE2 3.44Å
375R90.6Very high87.6Confident136 Ų13684.8 Ų84.851%0.51343%0.429SS..Hα-helixtrans-62.4-40.2178.7-167.7-174.7-66100.4-0.2111.4E371 E372 L373 Q378 M379E371-R375 WeakPolarHBondContact O-CB 3.4Å; E371-R375 PolarHBondContact O-N 2.98Å; E371-R375 VanDerWaalsContact O-N 3.11Å; E372-R375 PolarHBondContact O-N 3.39Å; L373-R375 VanDerWaalsContact C-N 3.32Å; L373-R375 PolarHBondContact O-N 3.07Å; R375-Q378 PolarHBondContact O-N 2.99Å; R375-M379 WeakPolarHBondContact O-CB 3.31Å; R375-M379 PolarHBondContact O-N 3.28Å
376N92.1Very high87.8Confident81 Ų8178 Ų7843%0.43340%0.402SS..Hα-helixtrans-66.1-39.4177.9-72-22.3000112E372 L373 E374 M379 A380E372-N376 VanDerWaalsContact O-CG 3.32Å; E372-N376 PolarHBondContact O-N 3.45Å; E372-N376 PolarHBondContact O-ND2 2.9Å; L373-N376 PolarHBondContact O-N 3.32Å; E374-N376 VanDerWaalsContact C-N 3.31Å; E374-N376 PolarHBondContact O-N 2.98Å; N376-M379 PolarHBondContact O-N 2.68Å; N376-A380 WeakPolarHBondContact O-CB 3.18Å; N376-A380 PolarHBondContact O-N 2.97Å
377I89.1Confident88.1Confident33 Ų3377 Ų7717%0.16940%0.398CS..Hα-helixtrans-66-42.6175.4-67.1168000111L345 I349 F353 L373 E374 M379 A380 E381L345-I377 HydrophobicContact CD1-CG2 3.94Å; I349-I377 HydrophobicContact CG2-CG2 4.22Å; F353-I377 HydrophobicContact CE2-CD1 3.6Å; F353-I377 HydrophobicContact CZ-CD1 3.64Å; L373-I377 HydrophobicContact CG-CD1 4.36Å; L373-I377 WeakPolarHBondContact O-CG1 3.47Å; L373-I377 PolarHBondContact O-N 2.98Å; L373-I377 VanDerWaalsContact O-N 3.07Å; E374-I377 PolarHBondContact O-N 3.18Å; I377-M379 VanDerWaalsContact C-N 3.31Å; I377-M379 PolarHBondContact O-N 3.34Å; I377-A380 PolarHBondContact O-N 3.49Å; I377-E381 PolarHBondContact O-N 3.44Å
378Q87.4Confident88.3Confident77 Ų7772.3 Ų72.336%0.3638%0.381SS..Hα-helixtrans-64.3-36.2175.4-69.4178.38.300112.4E374 R375 K382E374-Q378 WeakPolarHBondContact O-CG 3.39Å; E374-Q378 PolarHBondContact O-N 3.22Å; E374-Q378 PolarHBondContact OE1-NE2 3.44Å; R375-Q378 PolarHBondContact O-N 2.99Å; Q378-K382 WeakPolarHBondContact O-CG 3.42Å; Q378-K382 PolarHBondContact O-N 3.49Å; Q378-K382 VanDerWaalsContact O-N 3.14Å
379M87.9Confident88.5Confident113 Ų11368.5 Ų68.556%0.55737%0.365SS*.Hα-helixtrans-67.1-43.6174.7-173.1178.4-75.800111R375 N376 I377 E381 K382 V383R375-M379 WeakPolarHBondContact O-CB 3.31Å; R375-M379 PolarHBondContact O-N 3.28Å; N376-M379 PolarHBondContact O-N 2.68Å; I377-M379 VanDerWaalsContact C-N 3.31Å; I377-M379 PolarHBondContact O-N 3.34Å; M379-E381 VanDerWaalsContact C-N 3.31Å; M379-E381 PolarHBondContact O-N 3.43Å; M379-K382 PolarHBondContact O-N 3.43Å; M379-K382 VanDerWaalsContact O-N 3.16Å; M379-V383 WeakPolarHBondContact O-CG2 3.49Å; M379-V383 PolarHBondContact O-N 2.87Å
380A86.6Confident88.7Confident45 Ų4573.5 Ų73.537%0.37237%0.372SS..Hα-helixtrans-58.7-41.6175.300000111.8N376 I377 K382 V383 C384 I387N376-A380 WeakPolarHBondContact O-CB 3.18Å; N376-A380 PolarHBondContact O-N 2.97Å; I377-A380 PolarHBondContact O-N 3.49Å; A380-K382 PolarHBondContact O-N 3.26Å; A380-V383 PolarHBondContact O-N 3.11Å; A380-C384 PolarHBondContact O-N 3.22Å; A380-I387 HydrophobicContact CB-CG2 4.37Å
381E90.2Very high88.8Confident19 Ų1976.5 Ų76.59%0.08939%0.386CS..Hα-helixtrans-65.3-36.3176.1-172.467.2-155.800112.8S342 L345 I377 M379 C384 P385 G386 T388S342-E381 WeakPolarHBondContact CB-OE1 3.45Å; L345-E381 HydrophobicContact CD2-CB 4.11Å; L345-E381 HydrophobicContact CD2-CG 3.83Å; I377-E381 PolarHBondContact O-N 3.44Å; M379-E381 VanDerWaalsContact C-N 3.31Å; M379-E381 PolarHBondContact O-N 3.43Å; E381-C384 CarbonylContact O-C 3.26Å; E381-C384 VanDerWaalsContact O-C 3.26Å; E381-P385 WeakPolarHBondContact O-CA 3.4Å; E381-G386 PolarHBondContact OE1-N 3.41Å; E381-T388 VanDerWaalsContact OE2-CB 3.22Å; E381-T388 WeakPolarHBondContact OE2-CB 3.33Å; E381-T388 PolarHBondContact OE2-N 2.91Å; E381-T388 VanDerWaalsContact OE2-N 3.08Å; E381-T388 PolarHBondContact OE2-OG1 3.04Å
382K83.3Confident88.8Confident176 Ų17674.3 Ų74.377%0.76538%0.377SS*.Hα-helixtrans-67.8-38.1175.4-74.5176.6-178.5177.80112.3Q378 M379 A380Q378-K382 WeakPolarHBondContact O-CG 3.42Å; Q378-K382 PolarHBondContact O-N 3.49Å; Q378-K382 VanDerWaalsContact O-N 3.14Å; M379-K382 PolarHBondContact O-N 3.43Å; M379-K382 VanDerWaalsContact O-N 3.16Å; A380-K382 PolarHBondContact O-N 3.26Å
383V85.9Confident88.7Confident121 Ų12173.2 Ų73.273%0.73338%0.378SS*.Hα-helixtrans-77.1-34.8179.3175.90000111M379 A380M379-V383 WeakPolarHBondContact O-CG2 3.49Å; M379-V383 PolarHBondContact O-N 2.87Å; A380-V383 PolarHBondContact O-N 3.11Å
384C83.9Confident88.4Confident54 Ų5475 Ų7537%0.36538%0.384SS..SBendtrans-136.188.4-179-168.30000110.7A380 E381 G386 I387A380-C384 PolarHBondContact O-N 3.22Å; E381-C384 CarbonylContact O-C 3.26Å; E381-C384 VanDerWaalsContact O-C 3.26Å; C384-G386 PolarHBondContact O-N 3.14Å; C384-I387 HydrophobicContact CB-CB 4.14Å; C384-I387 HydrophobicContact CB-CG2 4.42Å; C384-I387 WeakPolarHBondContact O-CB 3.49Å; C384-I387 VanDerWaalsContact O-CG2 3.23Å; C384-I387 WeakPolarHBondContact O-CG2 3.33Å; C384-I387 PolarHBondContact O-N 3.04Å
385P88.8Confident88.1Confident77 Ų7777.9 Ų77.950%0.540%0.399SS..THydrogen-bonded Turntrans-58.4131.9179-26.135.3000112.6L339 E381L339-P385 HydrophobicContact CD2-CG 4.4Å; E381-P385 WeakPolarHBondContact O-CA 3.4Å
386G85.8Confident87.7Confident19 Ų1975.9 Ų75.920%0.19640%0.398CS..THydrogen-bonded Turntrans84.62.8-17900000115E381 C384 T388 D389 R390E381-G386 PolarHBondContact OE1-N 3.41Å; C384-G386 PolarHBondContact O-N 3.14Å; G386-T388 PolarHBondContact O-N 3.06Å; G386-D389 PolarHBondContact O-N 3.25Å; G386-R390 PolarHBondContact O-N 3.42Å
387I88.7Confident87.2Confident65 Ų6574.2 Ų74.233%0.33340%0.395SS..Hα-helixtrans-61.5-36.5177.3-165.869.2000111.4A380 C384 R390 M391A380-I387 HydrophobicContact CB-CG2 4.37Å; C384-I387 HydrophobicContact CB-CB 4.14Å; C384-I387 HydrophobicContact CB-CG2 4.42Å; C384-I387 WeakPolarHBondContact O-CB 3.49Å; C384-I387 VanDerWaalsContact O-CG2 3.23Å; C384-I387 WeakPolarHBondContact O-CG2 3.33Å; C384-I387 PolarHBondContact O-N 3.04Å; I387-R390 PolarHBondContact O-N 3.44Å; I387-M391 PolarHBondContact O-N 3.29Å
388T90.4Very high86.8Confident4 Ų482.1 Ų82.13%0.02542%0.422CS..Hα-helixtrans-65.4-43.8179.5-530000111.5L345 I349 E381 G386 R390 M391 V392L345-T388 HydrophobicContact CB-CG2 4.06Å; L345-T388 HydrophobicContact CD1-CG2 4.18Å; I349-T388 HydrophobicContact CD1-CG2 4.47Å; I349-T388 HydrophobicContact CG1-CG2 3.57Å; E381-T388 VanDerWaalsContact OE2-CB 3.22Å; E381-T388 WeakPolarHBondContact OE2-CB 3.33Å; E381-T388 PolarHBondContact OE2-N 2.91Å; E381-T388 VanDerWaalsContact OE2-N 3.08Å; E381-T388 PolarHBondContact OE2-OG1 3.04Å; G386-T388 PolarHBondContact O-N 3.06Å; T388-R390 VanDerWaalsContact C-N 3.33Å; T388-R390 PolarHBondContact O-N 3.03Å; T388-M391 PolarHBondContact O-N 2.57Å; T388-V392 WeakPolarHBondContact O-CG2 3.2Å; T388-V392 PolarHBondContact O-N 3.04Å
389D90.6Very high86.2Confident43 Ų4387.6 Ų87.623%0.2344%0.441CS..Hα-helixtrans-62.7-39.5177.9-67.2-54.3000112S342 S344 G386 T393S342-D389 WeakPolarHBondContact CA-OD2 3.17Å; S342-D389 VanDerWaalsContact CB-OD2 3.23Å; S342-D389 WeakPolarHBondContact CB-OD2 3.25Å; S342-D389 PolarHBondContact OG-OD1 3.15Å; S342-D389 PolarHBondContact OG-OD2 2.84Å; S344-D389 WeakPolarHBondContact CB-OD1 3.38Å; S344-D389 PolarHBondContact N-OD1 2.94Å; S344-D389 PolarHBondContact OG-OD1 3.33Å; G386-D389 PolarHBondContact O-N 3.25Å; D389-T393 WeakPolarHBondContact O-CB 3.45Å; D389-T393 PolarHBondContact O-N 3.09Å; D389-T393 PolarHBondContact O-OG1 2.95Å
390R90.5Very high85.4Confident161 Ų16187 Ų8761%0.60844%0.444SS*.Hα-helixtrans-65.9-43.3176.2-68.4177.3-178.8179.22.4111.9G386 I387 T388 T393 H394G386-R390 PolarHBondContact O-N 3.42Å; I387-R390 PolarHBondContact O-N 3.44Å; T388-R390 VanDerWaalsContact C-N 3.33Å; T388-R390 PolarHBondContact O-N 3.03Å; R390-T393 PolarHBondContact O-N 3.42Å; R390-H394 PolarHBondContact O-CD2 3.37Å; R390-H394 VanDerWaalsContact O-CD2 3.24Å; R390-H394 PolarHBondContact O-N 3.03Å
391M90.8Very high83.9Confident86 Ų8690.3 Ų90.342%0.42446%0.46SS..Hα-helixtrans-59.7-49.4177.3-174.8-178.175.900111I349 I387 T388 T393 H394 I395I349-M391 HydrophobicContact CD1-CE 4.35Å; I387-M391 PolarHBondContact O-N 3.29Å; T388-M391 PolarHBondContact O-N 2.57Å; M391-T393 VanDerWaalsContact C-N 3.33Å; M391-T393 PolarHBondContact O-N 3.41Å; M391-H394 PolarHBondContact O-N 3.38Å; M391-I395 HydrophobicContact CG-CD1 4.09Å; M391-I395 WeakPolarHBondContact O-CG1 3.34Å; M391-I395 PolarHBondContact O-N 2.94Å
392V88.1Confident81.7Confident16 Ų1699 Ų9910%0.09751%0.507CS..Hα-helixtrans-60.6-43.3177.7173.60000111.2L348 I349 T388 H394 I395 I396L348-V392 HydrophobicContact CD1-CG1 3.67Å; L348-V392 HydrophobicContact CD1-CG2 4.47Å; I349-V392 HydrophobicContact CD1-CG2 4.34Å; T388-V392 WeakPolarHBondContact O-CG2 3.2Å; T388-V392 PolarHBondContact O-N 3.04Å; V392-H394 VanDerWaalsContact C-N 3.33Å; V392-H394 PolarHBondContact O-N 3.01Å; V392-I395 PolarHBondContact O-N 3.18Å; V392-I396 HydrophobicContact CG1-CD1 3.82Å; V392-I396 HydrophobicContact CG1-CG1 4.36Å; V392-I396 WeakPolarHBondContact O-CG1 3.47Å; V392-I396 PolarHBondContact O-N 3.09Å
393T89.1Confident81.6Confident89 Ų8995.1 Ų95.155%0.54649%0.494SS..Hα-helixtrans-58.4-44.5177.8-58.10000111.8D389 R390 M391 I396 A397D389-T393 WeakPolarHBondContact O-CB 3.45Å; D389-T393 PolarHBondContact O-N 3.09Å; D389-T393 PolarHBondContact O-OG1 2.95Å; R390-T393 PolarHBondContact O-N 3.42Å; M391-T393 VanDerWaalsContact C-N 3.33Å; M391-T393 PolarHBondContact O-N 3.41Å; T393-I396 PolarHBondContact O-N 3.22Å; T393-A397 WeakPolarHBondContact O-CB 3.47Å; T393-A397 PolarHBondContact O-N 3.41Å
394H85.3Confident81.4Confident135 Ų13593.7 Ų93.763%0.62548%0.481SS*.Hα-helixtrans-67.2-35.3177.4-81.8-64000113.3R390 M391 V392 R398R390-H394 PolarHBondContact O-CD2 3.37Å; R390-H394 VanDerWaalsContact O-CD2 3.24Å; R390-H394 PolarHBondContact O-N 3.03Å; M391-H394 PolarHBondContact O-N 3.38Å; V392-H394 VanDerWaalsContact C-N 3.33Å; V392-H394 PolarHBondContact O-N 3.01Å; H394-R398 PolarHBondContact O-N 3.36Å
395I84.9Confident81.2Confident85 Ų8595.9 Ų95.944%0.43649%0.488SS..Hα-helixtrans-63.9-48.9174.6-68.5166.8000109.7M391 V392 A397 R398 Y399M391-I395 HydrophobicContact CG-CD1 4.09Å; M391-I395 WeakPolarHBondContact O-CG1 3.34Å; M391-I395 PolarHBondContact O-N 2.94Å; V392-I395 PolarHBondContact O-N 3.18Å; I395-A397 VanDerWaalsContact C-N 3.34Å; I395-A397 PolarHBondContact O-N 3.07Å; I395-R398 PolarHBondContact O-N 3.12Å; I395-Y399 HydrophobicContact CG2-CD2 4.21Å; I395-Y399 HydrophobicContact CG2-CE2 4.37Å; I395-Y399 WeakPolarHBondContact O-CD2 3.39Å; I395-Y399 PolarHBondContact O-N 3.36Å
396I83.4Confident80.8Confident95 Ų9597.1 Ų97.149%0.48749%0.487SS..Hα-helixtrans-59.4-46.7178.3-66.5170.6000110.4V392 T393 R398 Y399 T400V392-I396 HydrophobicContact CG1-CD1 3.82Å; V392-I396 HydrophobicContact CG1-CG1 4.36Å; V392-I396 WeakPolarHBondContact O-CG1 3.47Å; V392-I396 PolarHBondContact O-N 3.09Å; T393-I396 PolarHBondContact O-N 3.22Å; I396-R398 PolarHBondContact O-N 3.47Å; I396-Y399 PolarHBondContact O-N 3.37Å; I396-T400 HydrophobicContact CG2-CG2 4.08Å; I396-T400 PolarHBondContact O-N 3.22Å; I396-T400 PolarHBondContact O-OG1 3.35Å
397A79.6Confident80.5Confident45 Ų45101.9 Ų101.937%0.37251%0.505SS..Hα-helixtrans-57.9-34.5179.800000113.1T393 I395 Y399 T400 T401T393-A397 WeakPolarHBondContact O-CB 3.47Å; T393-A397 PolarHBondContact O-N 3.41Å; I395-A397 VanDerWaalsContact C-N 3.34Å; I395-A397 PolarHBondContact O-N 3.07Å; A397-Y399 VanDerWaalsContact C-N 3.35Å; A397-T400 PolarHBondContact O-OG1 3.2Å; A397-T401 PolarHBondContact O-OG1 3.21Å
398R81.4Confident79.9Confident199 Ų199104.4 Ų104.475%0.75152%0.516SS*.Hα-helixtrans-73-23.7175.4-80.3-170.9175.2162.10.7114H394 I395 I396H394-R398 PolarHBondContact O-N 3.36Å; I395-R398 PolarHBondContact O-N 3.12Å; I396-R398 PolarHBondContact O-N 3.47Å
399Y74.7Confident79.2Confident192 Ų192111.6 Ų111.675%0.75355%0.552SS**Hα-helixtrans-95.9-15.6178.8-84.6-82.1000113.4I395 I396 A397I395-Y399 HydrophobicContact CG2-CD2 4.21Å; I395-Y399 HydrophobicContact CG2-CE2 4.37Å; I395-Y399 WeakPolarHBondContact O-CD2 3.39Å; I395-Y399 PolarHBondContact O-N 3.36Å; I396-Y399 PolarHBondContact O-N 3.37Å; A397-Y399 VanDerWaalsContact C-N 3.35Å
400T71.8Confident78.3Confident101 Ų101116.8 Ų116.862%0.6258%0.576SS**SBendtrans-92.4-3.1173.754.80000113.8I396 A397I396-T400 HydrophobicContact CG2-CG2 4.08Å; I396-T400 PolarHBondContact O-N 3.22Å; I396-T400 PolarHBondContact O-OG1 3.35Å; A397-T400 PolarHBondContact O-OG1 3.2Å
401T54.9Low77.3Confident114 Ų114113.2 Ų113.270%0.69957%0.574SS**  trans-105.27.2178.438.70000114A397A397-T401 PolarHBondContact O-OG1 3.21Å
402N43.5Very low76.1Confident201 Ų201115.6 Ų115.6100%1.07559%0.587SS**  trans-115.70161.3-79.4-33.3000108.7

Retrieved 402 of 402 residues in 264.2 ms (Link to these results)

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