A0A087XHS2_POEFO Loading...

DNA replication complex GINS protein PSF3

Required for correct functioning of the GINS complex, a complex that plays an essential role in the initiation of DNA replication, and progression of DNA replication forks. GINS complex is a core component of CDC45-MCM-GINS (CMG) helicase, the molecular machine that unwinds template DNA during replication, and around which the replisome is built. The GINS complex plays an essential role in the initiation of DNA replication.

AlphaFold DB , UniProt , Accession A0A087XHS2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 211 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
1M47Very low69.4Low236 Ų236103.7 Ų103.7100%1.16357%0.572SS**  01070-72.4-166.1-167.100107.5T3M1-T3 PolarHBondContact O-N 3.06Å; M1-T3 VanDerWaalsContact O-N 3.13Å
2D52.3Low70.9Confident103 Ų10397.3 Ų97.355%0.55155%0.548SS*.  trans-70.799175.4-73.4-60.5000109.3P4D2-P4 VanDerWaalsContact O-CD 3.26Å; D2-P4 WeakPolarHBondContact O-CD 3.36Å
3T50.4Low71.6Confident85 Ų85100 Ų10052%0.52157%0.567SS.*  trans-69.9115.3169.76.40000108.3M1 F7M1-T3 PolarHBondContact O-N 3.06Å; M1-T3 VanDerWaalsContact O-N 3.13Å; T3-F7 HydrophobicContact CG2-CE2 4.45Å; T3-F7 HydrophobicContact CG2-CZ 4.11Å
4P56.7Low72.4Confident66 Ų6695.4 Ų95.443%0.42955%0.552SS.*  trans-65.1146.2177.227.6-33.1000109.9D2 Y6D2-P4 VanDerWaalsContact O-CD 3.26Å; D2-P4 WeakPolarHBondContact O-CD 3.36Å; P4-Y6 PolarHBondContact O-N 3.49Å; P4-Y6 VanDerWaalsContact O-N 3.08Å
5S63.2Low73.2Confident90 Ų9094.7 Ų94.763%0.62954%0.543SS*.SBendtrans-60.9-17.2177.1-31.70000113.5L197S5-L197 WeakPolarHBondContact OG-CD2 3.47Å
6Y69.8Low74.1Confident123 Ų12398.4 Ų98.448%0.48255%0.554SS.*SBendtrans-134.8126.5-178.2176.1-107.1000108.3P4 P8P4-Y6 PolarHBondContact O-N 3.49Å; P4-Y6 VanDerWaalsContact O-N 3.08Å; Y6-P8 VanDerWaalsContact CE1-CA 3.45Å; Y6-P8 HydrophobicContact CE1-CB 4Å
7F74.1Confident75Confident146 Ų14696.7 Ų96.764%0.6454%0.541SS*.  trans-91.3115.3166.6-81.4-86.3000107.9T3 V9T3-F7 HydrophobicContact CG2-CE2 4.45Å; T3-F7 HydrophobicContact CG2-CZ 4.11Å; F7-V9 PolarHBondContact O-N 3.28Å
8P81.8Confident75.9Confident94 Ų9494.2 Ų94.261%0.6153%0.526SS*.PPolyproline II helixtrans-61.5128176.224.6-31000109.7Y6Y6-P8 VanDerWaalsContact CE1-CA 3.45Å; Y6-P8 HydrophobicContact CE1-CB 4Å
9V89.6Confident76.8Confident43 Ų4398.9 Ų98.926%0.26154%0.541SS..PPolyproline II helixtrans-68.6124.8172.2178.10000107.8F7 N18 L20F7-V9 PolarHBondContact O-N 3.28Å; V9-N18 WeakPolarHBondContact CG1-ND2 3.24Å; V9-L20 HydrophobicContact CB-CB 4.45Å; V9-L20 HydrophobicContact CG1-CB 4.13Å; V9-L20 HydrophobicContact CG2-CB 4.14Å
10P88.4Confident77.6Confident91 Ų9199.6 Ų99.659%0.59154%0.543SS*.PPolyproline II helixtrans-68.3149.2-178.928.3-34.5000111.1N18P10-N18 PolarHBondContact O-ND2 3.23Å
11P90Very high78.4Confident64 Ų6494.8 Ų94.842%0.41652%0.517SS..PPolyproline II helixtrans-62.9157.417228.7-34.7000111.6S21 D23 D24P11-S21 WeakPolarHBondContact CA-OG 3.49Å; P11-D23 HydrophobicContact CB-CB 4.5Å; P11-D24 VanDerWaalsContact CA-OD2 3.22Å; P11-D24 WeakPolarHBondContact CA-OD2 3.39Å; P11-D24 WeakPolarHBondContact CB-OD1 3.39Å
12G86.9Confident80.5Confident27 Ų2788.5 Ų88.528%0.27849%0.488SS..PPolyproline II helixtrans-64.6162.4173.300000112.4E16 D24G12-E16 CarbonylContact C-O 3.56Å; G12-E16 VanDerWaalsContact CA-O 3.27Å; G12-E16 WeakPolarHBondContact CA-O 3.33Å; G12-D24 PolarHBondContact N-OD2 3.39Å
13V80.4Confident82.4Confident132 Ų13286.2 Ų86.280%0.848%0.476SS*.  trans-109.4132.9-177.5-179.20000110.1M15 E16V13-M15 PolarHBondContact O-N 3.19Å; V13-E16 PolarHBondContact O-N 3.37Å
14G82.6Confident84.5Confident35 Ų3582.7 Ų82.736%0.36145%0.453SS..THydrogen-bonded Turntrans67.6-118.1178.100000111.3S116 Q117G14-S116 WeakPolarHBondContact O-CB 3.37Å; G14-Q117 PolarHBondContact O-NE2 3.38Å
15M85.3Confident86.3Confident85 Ų8583.6 Ų83.642%0.41945%0.454SS..THydrogen-bonded Turntrans-87.2-10.7-178.8-68.1-179.569.700112.7V13 L119 H120V13-M15 PolarHBondContact O-N 3.19Å; M15-L119 HydrophobicContact CG-CB 4.24Å; M15-L119 HydrophobicContact SD-CB 4.16Å; M15-H120 VanDerWaalsContact CA-CE1 3.44Å; M15-H120 WeakPolarHBondContact CA-CE1 3.44Å; M15-H120 WeakPolarHBondContact CB-CE1 3.28Å; M15-H120 VanDerWaalsContact CE-CA 3.45Å; M15-H120 HydrophobicContact CE-CB 4.08Å; M15-H120 VanDerWaalsContact CE-CD2 3.47Å; M15-H120 WeakPolarHBondContact CE-CD2 3.43Å; M15-H120 PolarHBondContact O-CE1 3.27Å; M15-H120 PolarHBondContact O-NE2 3.16Å
16E86.6Confident87.8Confident154 Ų15484.1 Ų84.172%0.7245%0.449SS*.  trans-86.6143.1177.4-65.6-169.7169.100111G12 V13G12-E16 CarbonylContact C-O 3.56Å; G12-E16 VanDerWaalsContact CA-O 3.27Å; G12-E16 WeakPolarHBondContact CA-O 3.33Å; V13-E16 PolarHBondContact O-N 3.37Å
17E89.3Confident89Confident70 Ų7078.4 Ų78.433%0.32743%0.427SS..  trans-112.2144.9169.7-72170.6156.200108.8D24 K69E17-D24 HydrophobicContact CB-CB 4.26Å; E17-D24 HydrophobicContact CG-CB 4.44Å; E17-K69 IonicContact OE1-NZ 2.7Å; E17-K69 PolarHBondContact OE1-NZ 2.72Å; E17-K69 IonicContact OE2-NZ 2.7Å; E17-K69 PolarHBondContact OE2-NZ 3.06Å
18N92.6Very high90Very high52 Ų5272.3 Ų72.328%0.27840%0.402SS..  trans-93.2117.2174.7-172.6-26000109.9V9 P10 L20 S21 D24V9-N18 WeakPolarHBondContact CG1-ND2 3.24Å; P10-N18 PolarHBondContact O-ND2 3.23Å; N18-L20 PolarHBondContact O-N 2.91Å; N18-L20 VanDerWaalsContact O-N 3.07Å; N18-L20 PolarHBondContact OD1-N 3.5Å; N18-S21 WeakPolarHBondContact O-CB 3.21Å; N18-S21 PolarHBondContact O-N 3Å; N18-D24 WeakPolarHBondContact CB-OD2 3.39Å; N18-D24 PolarHBondContact N-OD2 2.68Å
19F91.7Very high90.6Very high183 Ų18373 Ų7380%0.80340%0.397SS*.THydrogen-bonded Turntrans-55.3-29.2-178.6-176.5-100.5000114.2
20L93.3Very high90.8Very high112 Ų11272.8 Ų72.859%0.58639%0.394SS*.THydrogen-bonded Turntrans-99.8-2.1-179-59.5178.3000113.1V9 N18 L22V9-L20 HydrophobicContact CB-CB 4.45Å; V9-L20 HydrophobicContact CG1-CB 4.13Å; V9-L20 HydrophobicContact CG2-CB 4.14Å; N18-L20 PolarHBondContact O-N 2.91Å; N18-L20 VanDerWaalsContact O-N 3.07Å; N18-L20 PolarHBondContact OD1-N 3.5Å; L20-L22 PolarHBondContact O-N 2.9Å
21S93.4Very high91.1Very high0 Ų077 Ų770%040%0.398CS..  trans-77.5121.1175.4173.20000110.2P11 N18 D23 D24 I25P11-S21 WeakPolarHBondContact CA-OG 3.49Å; N18-S21 WeakPolarHBondContact O-CB 3.21Å; N18-S21 PolarHBondContact O-N 3Å; S21-D23 PolarHBondContact O-N 3.33Å; S21-D23 PolarHBondContact OG-N 2.96Å; S21-D24 WeakPolarHBondContact CB-OD2 3.3Å; S21-D24 PolarHBondContact O-N 3.06Å; S21-D24 PolarHBondContact OG-N 2.98Å; S21-I25 VanDerWaalsContact O-CG1 3.32Å; S21-I25 WeakPolarHBondContact O-CG1 3.42Å; S21-I25 PolarHBondContact O-N 3.13Å; S21-I25 VanDerWaalsContact O-N 3.09Å
22L92.7Very high91.3Very high103 Ų10374 Ų7454%0.53938%0.378SS..Hα-helixtrans-64.5-34.3173.6-63178.3000111.4L20 I25 L26L20-L22 PolarHBondContact O-N 2.9Å; L22-I25 PolarHBondContact O-N 2.91Å; L22-L26 WeakPolarHBondContact O-CB 3.27Å; L22-L26 WeakPolarHBondContact O-CG 3.36Å; L22-L26 PolarHBondContact O-N 2.87Å
23D92.4Very high91.7Very high56 Ų5674 Ų7430%0.29937%0.373SS..Hα-helixtrans-66.3-39.3178.5-74.7-41.3000111.3P11 S21 L26 L27 Y110P11-D23 HydrophobicContact CB-CB 4.5Å; S21-D23 PolarHBondContact O-N 3.33Å; S21-D23 PolarHBondContact OG-N 2.96Å; D23-L26 PolarHBondContact O-N 3.5Å; D23-L27 VanDerWaalsContact O-CB 3.25Å; D23-L27 WeakPolarHBondContact O-CB 3.44Å; D23-L27 PolarHBondContact O-N 3.1Å; D23-Y110 HydrophobicContact CB-CE1 4.14Å
24D94.1Very high92.4Very high10 Ų1067.8 Ų67.85%0.05334%0.336CS..Hα-helixtrans-71.1-38.5176.7-70.1-23.6000111.8P11 G12 E17 N18 S21 L26 L27 S28P11-D24 VanDerWaalsContact CA-OD2 3.22Å; P11-D24 WeakPolarHBondContact CA-OD2 3.39Å; P11-D24 WeakPolarHBondContact CB-OD1 3.39Å; G12-D24 PolarHBondContact N-OD2 3.39Å; E17-D24 HydrophobicContact CB-CB 4.26Å; E17-D24 HydrophobicContact CG-CB 4.44Å; N18-D24 WeakPolarHBondContact CB-OD2 3.39Å; N18-D24 PolarHBondContact N-OD2 2.68Å; S21-D24 WeakPolarHBondContact CB-OD2 3.3Å; S21-D24 PolarHBondContact O-N 3.06Å; S21-D24 PolarHBondContact OG-N 2.98Å; D24-L26 VanDerWaalsContact C-N 3.32Å; D24-L26 PolarHBondContact O-N 2.98Å; D24-L27 PolarHBondContact O-N 2.81Å; D24-S28 VanDerWaalsContact O-CB 3.27Å; D24-S28 WeakPolarHBondContact O-CB 3.5Å; D24-S28 PolarHBondContact O-N 3.36Å; D24-S28 PolarHBondContact O-OG 2.98Å
25I95.1Very high93Very high86 Ų8671.7 Ų71.744%0.44134%0.339SS..Hα-helixtrans-59.5-46.4173.9-68.7165.9000110.1S21 L22 S28 Q29S21-I25 VanDerWaalsContact O-CG1 3.32Å; S21-I25 WeakPolarHBondContact O-CG1 3.42Å; S21-I25 PolarHBondContact O-N 3.13Å; S21-I25 VanDerWaalsContact O-N 3.09Å; L22-I25 PolarHBondContact O-N 2.91Å; I25-S28 PolarHBondContact O-N 3.17Å; I25-S28 PolarHBondContact O-OG 3.06Å; I25-Q29 PolarHBondContact O-N 2.95Å
26L94.2Very high93.4Very high101 Ų10167.7 Ų67.753%0.52932%0.32SS..Hα-helixtrans-67.2-42.2178.9-70.4173.3000112.3L22 D23 D24 S28 Q29 Y110L22-L26 WeakPolarHBondContact O-CB 3.27Å; L22-L26 WeakPolarHBondContact O-CG 3.36Å; L22-L26 PolarHBondContact O-N 2.87Å; D23-L26 PolarHBondContact O-N 3.5Å; D24-L26 VanDerWaalsContact C-N 3.32Å; D24-L26 PolarHBondContact O-N 2.98Å; L26-S28 VanDerWaalsContact C-N 3.33Å; L26-S28 PolarHBondContact O-N 3.38Å; L26-Q29 WeakPolarHBondContact O-CB 3.27Å; L26-Q29 PolarHBondContact O-N 3.16Å; L26-Y110 HydrophobicContact CB-CE2 4.22Å; L26-Y110 WeakPolarHBondContact CB-OH 3.37Å
27L94.6Very high93.8Very high2 Ų263.2 Ų63.21%0.0130%0.299CS..Hα-helixtrans-57.7-46173163.961.8000111.1D23 D24 Q29 E30 L65 Y110 L114 Q117D23-L27 VanDerWaalsContact O-CB 3.25Å; D23-L27 WeakPolarHBondContact O-CB 3.44Å; D23-L27 PolarHBondContact O-N 3.1Å; D24-L27 PolarHBondContact O-N 2.81Å; L27-Q29 PolarHBondContact O-N 3.28Å; L27-Q29 VanDerWaalsContact O-N 3.09Å; L27-E30 WeakPolarHBondContact O-CB 3.49Å; L27-E30 WeakPolarHBondContact O-CG 3.37Å; L27-E30 PolarHBondContact O-N 2.83Å; L27-L65 HydrophobicContact CG-CD2 4.43Å; L27-Y110 HydrophobicContact CB-CD1 4.2Å; L27-Y110 HydrophobicContact CB-CD2 4.28Å; L27-Y110 HydrophobicContact CB-CG 4.05Å; L27-Y110 HydrophobicContact CD1-CG 4.16Å; L27-L114 HydrophobicContact CD1-CB 3.65Å; L27-L114 HydrophobicContact CD1-CD1 4.02Å; L27-L114 HydrophobicContact CD1-CG 4.48Å; L27-Q117 HydrophobicContact CD2-CG 4Å
28S94.4Very high94Very high18 Ų1862 Ų6213%0.12630%0.298CS..Hα-helixtrans-63.4-19.6-176.680.30000113.9D24 I25 L26 E30 L65 W66D24-S28 VanDerWaalsContact O-CB 3.27Å; D24-S28 WeakPolarHBondContact O-CB 3.5Å; D24-S28 PolarHBondContact O-N 3.36Å; D24-S28 PolarHBondContact O-OG 2.98Å; I25-S28 PolarHBondContact O-N 3.17Å; I25-S28 PolarHBondContact O-OG 3.06Å; L26-S28 VanDerWaalsContact C-N 3.33Å; L26-S28 PolarHBondContact O-N 3.38Å; S28-E30 VanDerWaalsContact C-N 3.32Å; S28-L65 WeakPolarHBondContact O-CB 3.46Å; S28-L65 PolarHBondContact O-N 3.21Å; S28-L65 VanDerWaalsContact O-N 3.16Å; S28-W66 PolarHBondContact O-N 3.36Å; S28-W66 VanDerWaalsContact O-N 3.1Å
29Q95.3Very high94.1Very high108 Ų10863 Ų6351%0.50531%0.306SS..THydrogen-bonded Turntrans-80.4-12.7177.2-171.961.27.900113I25 L26 L27 R31 W66I25-Q29 PolarHBondContact O-N 2.95Å; L26-Q29 WeakPolarHBondContact O-CB 3.27Å; L26-Q29 PolarHBondContact O-N 3.16Å; L27-Q29 PolarHBondContact O-N 3.28Å; L27-Q29 VanDerWaalsContact O-N 3.09Å; Q29-R31 PolarHBondContact O-N 2.97Å; Q29-W66 VanDerWaalsContact OE1-NE1 3.12Å
30E94Very high94.2Very high40 Ų4055.3 Ų55.319%0.18727%0.272CS..  trans-59.9138175.3-68.6-166.5158.100110.9L27 S28 P64 L65 L114L27-E30 WeakPolarHBondContact O-CB 3.49Å; L27-E30 WeakPolarHBondContact O-CG 3.37Å; L27-E30 PolarHBondContact O-N 2.83Å; S28-E30 VanDerWaalsContact C-N 3.32Å; E30-P64 CarbonylContact O-C 3.56Å; E30-P64 WeakPolarHBondContact O-CA 3.45Å; E30-L65 PolarHBondContact O-N 2.7Å; E30-L114 HydrophobicContact CB-CD1 4.42Å; E30-L114 WeakPolarHBondContact OE2-CD2 3.23Å
31R94.3Very high94.2Very high178 Ų17854 Ų5467%0.67227%0.27SS*.EExtended strand (participates in β ladder)trans-89141.7-176-64.3-175.1-177.2-178.6-0.7110.9Q29 E62 L63Q29-R31 PolarHBondContact O-N 2.97Å; R31-E62 HydrophobicContact CB-CB 4.39Å; R31-L63 CarbonylContact C-O 3.59Å; R31-L63 WeakPolarHBondContact CA-O 3.35Å
32L95.1Very high94.2Very high1 Ų162.7 Ų62.71%0.00530%0.303CS..EExtended strand (participates in β ladder)trans-119.2140.5178.8-61.7172.5000110.4V34 E62 L63 L65 C68 V81 P84 L114 M118 F121L32-V34 HydrophobicContact CB-CG1 4.4Å; L32-V34 PolarHBondContact O-N 3.4Å; L32-E62 WeakPolarHBondContact O-CA 3.23Å; L32-L63 PolarHBondContact N-O 3.39Å; L32-L63 PolarHBondContact O-N 2.94Å; L32-L65 HydrophobicContact CD1-CB 4.1Å; L32-L65 HydrophobicContact CD1-CD1 3.65Å; L32-C68 HydrophobicContact CD1-CB 4.21Å; L32-V81 HydrophobicContact CB-CG1 4.46Å; L32-V81 HydrophobicContact CD1-CG1 4.22Å; L32-P84 HydrophobicContact CD2-CG 3.76Å; L32-L114 HydrophobicContact CD2-CD1 4.22Å; L32-M118 HydrophobicContact CD1-CE 3.6Å; L32-M118 HydrophobicContact CD1-SD 4.36Å; L32-M118 HydrophobicContact CD2-CE 3.66Å; L32-M118 HydrophobicContact CD2-SD 3.92Å; L32-M118 HydrophobicContact CG-CE 4.26Å; L32-F121 HydrophobicContact CD1-CE2 4.07Å; L32-F121 HydrophobicContact CD1-CZ 4.43Å
33P95.3Very high94.2Very high27 Ų2760.9 Ų60.918%0.17529%0.293CS..EExtended strand (participates in β ladder)trans-68.5123.616927.3-30.6000108.9E62 E82P33-E62 WeakPolarHBondContact CA-OE1 3.2Å; P33-E62 WeakPolarHBondContact CB-OE1 3.19Å; P33-E82 HydrophobicContact CB-CB 4.17Å; P33-E82 HydrophobicContact CG-CB 4.04Å; P33-E82 PolarHBondContact O-N 2.91Å
34V95.3Very high94.1Very high2 Ų258.3 Ų58.31%0.01228%0.28CS..EExtended strand (participates in β ladder)trans-131.9158177.2-55.60000111L32 K60 M61 L63 C68 L79 S80 V81L32-V34 HydrophobicContact CB-CG1 4.4Å; L32-V34 PolarHBondContact O-N 3.4Å; V34-K60 WeakPolarHBondContact O-CA 3.39Å; V34-M61 HydrophobicContact CG2-CG 3.42Å; V34-M61 VanDerWaalsContact CG2-CG 3.42Å; V34-M61 HydrophobicContact CG2-SD 4.24Å; V34-M61 PolarHBondContact N-O 3.47Å; V34-M61 PolarHBondContact O-N 3.48Å; V34-L63 HydrophobicContact CG2-CB 4.21Å; V34-L63 HydrophobicContact CG2-CD1 3.86Å; V34-L63 HydrophobicContact CG2-CG 3.82Å; V34-C68 VanDerWaalsContact CG1-SG 3.6Å; V34-L79 HydrophobicContact CG1-CD1 4.43Å; V34-S80 CarbonylContact C-O 3.47Å; V34-S80 VanDerWaalsContact CA-O 3.26Å; V34-S80 WeakPolarHBondContact CA-O 3.41Å; V34-S80 WeakPolarHBondContact CB-O 3.33Å; V34-V81 HydrophobicContact CG1-CB 4.48Å; V34-V81 HydrophobicContact CG1-CG1 4.46Å; V34-V81 HydrophobicContact CG1-CG2 4.08Å
35R94.8Very high94Very high117 Ų11765 Ų6544%0.44231%0.309SS..EExtended strand (participates in β ladder)trans-119.4130.7171.7-172.6177.3-176.5-166.5-8.9109.4G58 T59 L79 S80R35-G58 PolarHBondContact NE-O 2.81Å; R35-T59 WeakPolarHBondContact CA-O 3.41Å; R35-L79 CarbonylContact O-C 3.54Å; R35-L79 WeakPolarHBondContact O-CA 3.12Å; R35-S80 PolarHBondContact N-O 3.25Å; R35-S80 PolarHBondContact O-N 3.15Å
36T94.1Very high93.7Very high1 Ų165.8 Ų65.81%0.00631%0.313CS..EExtended strand (participates in β ladder)trans-69.8137.4174.1580000109.9F40 I55 P56 G58 T59 M61T36-F40 HydrophobicContact CG2-CD2 4.21Å; T36-F40 HydrophobicContact CG2-CE1 4.35Å; T36-F40 HydrophobicContact CG2-CE2 3.82Å; T36-F40 HydrophobicContact CG2-CZ 3.89Å; T36-I55 HydrophobicContact CG2-CG2 4.47Å; T36-P56 PolarHBondContact OG1-O 3Å; T36-G58 VanDerWaalsContact O-CA 3.23Å; T36-G58 WeakPolarHBondContact O-CA 3.45Å; T36-G58 PolarHBondContact O-N 3.03Å; T36-G58 PolarHBondContact OG1-N 3.27Å; T36-G58 VanDerWaalsContact OG1-N 3.1Å; T36-T59 PolarHBondContact N-O 2.86Å; T36-T59 PolarHBondContact OG1-N 3.06Å; T36-T59 PolarHBondContact OG1-O 3.34Å; T36-M61 HydrophobicContact CG2-CE 3.44Å; T36-M61 VanDerWaalsContact CG2-CE 3.44Å; T36-M61 HydrophobicContact CG2-SD 3.92Å
37E94.1Very high93.2Very high61 Ų6163.1 Ų63.129%0.28530%0.298SS..SBendtrans-111.60.4178.9-63.9-77.4154.100110.9K77 V78 S80E37-K77 HydrophobicContact CB-CB 3.9Å; E37-K77 WeakPolarHBondContact CB-O 3.13Å; E37-K77 HydrophobicContact CG-CB 4.01Å; E37-V78 PolarHBondContact N-O 3.43Å; E37-S80 VanDerWaalsContact OE1-CB 3.26Å; E37-S80 WeakPolarHBondContact OE1-CB 3.39Å
38C93.2Very high92.5Very high44 Ų4473 Ų7330%0.29734%0.341SS..SBendtrans-146.8169.6167.466.50000110.3
39V93.9Very high91.7Very high73 Ų7377 Ų7744%0.44237%0.37SS..  trans-70.4134.3174.2177.40000109.7P41 D54 I55 E57V39-P41 VanDerWaalsContact O-CD 3.27Å; V39-P41 WeakPolarHBondContact O-CD 3.34Å; V39-D54 HydrophobicContact CG1-CB 4Å; V39-I55 CarbonylContact C-O 3.33Å; V39-I55 WeakPolarHBondContact CA-O 3.45Å; V39-I55 WeakPolarHBondContact CG1-O 3.48Å; V39-E57 HydrophobicContact CG2-CB 4.42Å
40F93.8Very high90.9Very high21 Ų2173.9 Ų73.99%0.09236%0.359CS..BIsolated β-bridgetrans-100.3101.3170.6-66-3.7000110.3T36 L43 I55 M61 V78T36-F40 HydrophobicContact CG2-CD2 4.21Å; T36-F40 HydrophobicContact CG2-CE1 4.35Å; T36-F40 HydrophobicContact CG2-CE2 3.82Å; T36-F40 HydrophobicContact CG2-CZ 3.89Å; F40-L43 HydrophobicContact CB-CB 4.1Å; F40-L43 HydrophobicContact CB-CD1 4.04Å; F40-L43 HydrophobicContact CB-CG 4.39Å; F40-L43 HydrophobicContact CD2-CD1 4.25Å; F40-L43 HydrophobicContact CG-CD1 4.46Å; F40-I55 HydrophobicContact CB-CB 4.07Å; F40-I55 HydrophobicContact CB-CD1 4.39Å; F40-I55 HydrophobicContact CB-CG1 4.37Å; F40-I55 HydrophobicContact CD2-CD1 4.25Å; F40-I55 PolarHBondContact N-O 3.33Å; F40-I55 PolarHBondContact O-N 2.87Å; F40-M61 HydrophobicContact CE2-SD 4.4Å; F40-V78 HydrophobicContact CE1-CG1 3.53Å; F40-V78 HydrophobicContact CZ-CG1 3.82Å
41P94.2Very high90.3Very high85 Ų8580.4 Ų80.455%0.55240%0.396SS*.THydrogen-bonded Turntrans-70.7138.6-174.328.4-34.7000111.5V39 L43 D54V39-P41 VanDerWaalsContact O-CD 3.27Å; V39-P41 WeakPolarHBondContact O-CD 3.34Å; P41-L43 PolarHBondContact O-N 3.3Å; P41-D54 VanDerWaalsContact CA-OD1 3.3Å; P41-D54 WeakPolarHBondContact CA-OD1 3.14Å
42R93.6Very high90Very high183 Ų18374.5 Ų74.569%0.69138%0.382SS*.THydrogen-bonded Turntrans61.416.5178-53.5-179.2-67.6-173.4-1.9114.8F45 Q53 D54R42-F45 WeakPolarHBondContact O-CE1 3.39Å; R42-Q53 CarbonylContact C-O 3.59Å; R42-Q53 WeakPolarHBondContact CA-O 3.4Å; R42-Q53 PolarHBondContact N-O 3.44Å; R42-D54 PolarHBondContact N-OD1 3.16Å
43L93.3Very high89.9Confident64 Ų6481.2 Ų81.234%0.33541%0.413SS..  trans-105.88.1178.1-66.4-169.3000113.6F40 P41 F45 L46 Q53 I55F40-L43 HydrophobicContact CB-CB 4.1Å; F40-L43 HydrophobicContact CB-CD1 4.04Å; F40-L43 HydrophobicContact CB-CG 4.39Å; F40-L43 HydrophobicContact CD2-CD1 4.25Å; F40-L43 HydrophobicContact CG-CD1 4.46Å; P41-L43 PolarHBondContact O-N 3.3Å; L43-F45 HydrophobicContact CD2-CE1 3.76Å; L43-F45 HydrophobicContact CD2-CZ 4.02Å; L43-F45 PolarHBondContact O-N 3.49Å; L43-L46 HydrophobicContact CB-CD1 4.14Å; L43-L46 HydrophobicContact CD1-CD1 4.34Å; L43-L46 HydrophobicContact CD2-CD1 4.47Å; L43-L46 WeakPolarHBondContact O-CB 3.39Å; L43-L46 PolarHBondContact O-N 3.48Å; L43-Q53 PolarHBondContact N-O 3.31Å; L43-I55 HydrophobicContact CB-CD1 3.94Å; L43-I55 HydrophobicContact CB-CG1 4.13Å; L43-I55 WeakPolarHBondContact O-CD1 3.45Å; L43-I55 WeakPolarHBondContact O-CG1 3.41Å
44G90.6Very high89.8Confident2 Ų282.7 Ų82.72%0.02142%0.419CS..G310 helixtrans-56.4-26.6-179.100000114.3L46 E47 S52 Q53G44-L46 PolarHBondContact O-N 3.13Å; G44-E47 PolarHBondContact O-N 3.28Å; G44-S52 WeakPolarHBondContact CA-O 3.32Å; G44-Q53 WeakPolarHBondContact CA-O 3.27Å; G44-Q53 PolarHBondContact N-O 3.09Å
45F90.4Very high89.7Confident150 Ų15082.6 Ų82.666%0.65842%0.419SS*.G310 helixtrans-60.9-17.6175.271.4-93.9000114.6R42 L43 E47R42-F45 WeakPolarHBondContact O-CE1 3.39Å; L43-F45 HydrophobicContact CD2-CE1 3.76Å; L43-F45 HydrophobicContact CD2-CZ 4.02Å; L43-F45 PolarHBondContact O-N 3.49Å; F45-E47 VanDerWaalsContact C-N 3.34Å
46L88.9Confident89.6Confident103 Ų10379.9 Ų79.954%0.53942%0.416SS..G310 helixtrans-75-27173.2-63.4175.9000111.8L43 G44 I55L43-L46 HydrophobicContact CB-CD1 4.14Å; L43-L46 HydrophobicContact CD1-CD1 4.34Å; L43-L46 HydrophobicContact CD2-CD1 4.47Å; L43-L46 WeakPolarHBondContact O-CB 3.39Å; L43-L46 PolarHBondContact O-N 3.48Å; G44-L46 PolarHBondContact O-N 3.13Å; L46-I55 HydrophobicContact CB-CD1 4.25Å; L46-I55 HydrophobicContact CD1-CD1 4.42Å
47E84.8Confident89.6Confident46 Ų4685.9 Ų85.922%0.21544%0.444CS..  trans-98.589.8179.8-169-174.6171.300110.1G44 F45 S49 S50G44-E47 PolarHBondContact O-N 3.28Å; F45-E47 VanDerWaalsContact C-N 3.34Å; E47-S49 VanDerWaalsContact CG-OG 3.27Å; E47-S49 WeakPolarHBondContact CG-OG 3.41Å; E47-S49 PolarHBondContact O-N 3.48Å; E47-S49 PolarHBondContact OE1-OG 3.09Å; E47-S50 PolarHBondContact O-N 3.49Å; E47-S50 VanDerWaalsContact O-N 3.13Å
48K78.4Confident89.6Confident208 Ų20884 Ų8490%0.90444%0.442SS*.THydrogen-bonded Turntrans-61.9-11.2-178.1-62-175.8-180-177.20114.9
49S78.8Confident89.6Confident104 Ų10482.8 Ų82.873%0.72743%0.433SS*.THydrogen-bonded Turntrans-86.3-8.9179.239.50000114E47E47-S49 VanDerWaalsContact CG-OG 3.27Å; E47-S49 WeakPolarHBondContact CG-OG 3.41Å; E47-S49 PolarHBondContact O-N 3.48Å; E47-S49 PolarHBondContact OE1-OG 3.09Å
50S77.8Confident89.6Confident41 Ų4186.3 Ų86.329%0.28744%0.442SS..  trans-132.8132.8-175.1-175.10000110.6E47 S52E47-S50 PolarHBondContact O-N 3.49Å; E47-S50 VanDerWaalsContact O-N 3.13Å; S50-S52 PolarHBondContact O-N 2.92Å; S50-S52 VanDerWaalsContact OG-CB 3.24Å; S50-S52 WeakPolarHBondContact OG-CB 3.45Å; S50-S52 PolarHBondContact OG-N 2.79Å
51D82Confident89.6Confident178 Ų17887 Ų8795%0.95245%0.446SS*.  trans-83.810.5171.1-74.6-25.3000112.2
52S88.4Confident89.6Confident54 Ų5487.8 Ų87.838%0.37844%0.442SS..  trans-64.4142.4174.31790000110.9G44 S50 D54G44-S52 WeakPolarHBondContact CA-O 3.32Å; S50-S52 PolarHBondContact O-N 2.92Å; S50-S52 VanDerWaalsContact OG-CB 3.24Å; S50-S52 WeakPolarHBondContact OG-CB 3.45Å; S50-S52 PolarHBondContact OG-N 2.79Å; S52-D54 VanDerWaalsContact C-N 3.27Å; S52-D54 WeakPolarHBondContact CB-O 3.26Å; S52-D54 PolarHBondContact O-N 3.39Å; S52-D54 PolarHBondContact OG-N 3.3Å; S52-D54 PolarHBondContact OG-O 3.1Å
53Q91.9Very high89.7Confident142 Ų14280.2 Ų80.266%0.66442%0.415SS*.SBendtrans-68.1-30.7172.5-176.517310.300112R42 L43 G44R42-Q53 CarbonylContact C-O 3.59Å; R42-Q53 WeakPolarHBondContact CA-O 3.4Å; R42-Q53 PolarHBondContact N-O 3.44Å; L43-Q53 PolarHBondContact N-O 3.31Å; G44-Q53 WeakPolarHBondContact CA-O 3.27Å; G44-Q53 PolarHBondContact N-O 3.09Å
54D93.6Very high89.8Confident57 Ų5778.1 Ų78.131%0.30541%0.406SS..SBendtrans-115.3152-175.1-56.7-29.9000110.6V39 P41 R42 S52V39-D54 HydrophobicContact CG1-CB 4Å; P41-D54 VanDerWaalsContact CA-OD1 3.3Å; P41-D54 WeakPolarHBondContact CA-OD1 3.14Å; R42-D54 PolarHBondContact N-OD1 3.16Å; S52-D54 VanDerWaalsContact C-N 3.27Å; S52-D54 WeakPolarHBondContact CB-O 3.26Å; S52-D54 PolarHBondContact O-N 3.39Å; S52-D54 PolarHBondContact OG-N 3.3Å; S52-D54 PolarHBondContact OG-O 3.1Å
55I93.9Very high90.1Very high0 Ų078 Ų780%041%0.405CS..BIsolated β-bridgetrans-88122.5169.2-50.3179.6000108.2T36 V39 F40 L43 L46 T59 M61T36-I55 HydrophobicContact CG2-CG2 4.47Å; V39-I55 CarbonylContact C-O 3.33Å; V39-I55 WeakPolarHBondContact CA-O 3.45Å; V39-I55 WeakPolarHBondContact CG1-O 3.48Å; F40-I55 HydrophobicContact CB-CB 4.07Å; F40-I55 HydrophobicContact CB-CD1 4.39Å; F40-I55 HydrophobicContact CB-CG1 4.37Å; F40-I55 HydrophobicContact CD2-CD1 4.25Å; F40-I55 PolarHBondContact N-O 3.33Å; F40-I55 PolarHBondContact O-N 2.87Å; L43-I55 HydrophobicContact CB-CD1 3.94Å; L43-I55 HydrophobicContact CB-CG1 4.13Å; L43-I55 WeakPolarHBondContact O-CD1 3.45Å; L43-I55 WeakPolarHBondContact O-CG1 3.41Å; L46-I55 HydrophobicContact CB-CD1 4.25Å; L46-I55 HydrophobicContact CD1-CD1 4.42Å; I55-T59 HydrophobicContact CG2-CG2 3.83Å; I55-M61 HydrophobicContact CD1-CE 3.65Å; I55-M61 HydrophobicContact CG2-CE 3.68Å
56P92.9Very high90.3Very high61 Ų6177.1 Ų77.140%0.39640%0.397SS..PPolyproline II helixtrans-67.8162.2179.824.4-28000112.4T36 T59T36-P56 PolarHBondContact OG1-O 3Å; P56-T59 WeakPolarHBondContact CG-OG1 3.26Å; P56-T59 PolarHBondContact O-OG1 2.84Å; P56-T59 VanDerWaalsContact O-OG1 3.06Å
57E94.3Very high90.6Very high127 Ų12774.8 Ų74.859%0.59339%0.385SS*.THydrogen-bonded Turntrans-64.9143.1169.1180-178.416000110.3V39 T59V39-E57 HydrophobicContact CG2-CB 4.42Å; E57-T59 VanDerWaalsContact C-N 3.32Å
58G93.1Very high91Very high22 Ų2272.6 Ų72.623%0.22737%0.374CS..THydrogen-bonded Turntrans84.42.1177.800000114.6R35 T36R35-G58 PolarHBondContact NE-O 2.81Å; T36-G58 VanDerWaalsContact O-CA 3.23Å; T36-G58 WeakPolarHBondContact O-CA 3.45Å; T36-G58 PolarHBondContact O-N 3.03Å; T36-G58 PolarHBondContact OG1-N 3.27Å; T36-G58 VanDerWaalsContact OG1-N 3.1Å
59T93.6Very high91.7Very high18 Ų1864.7 Ų64.711%0.1134%0.34CS..  trans-65.9132.6176.4-62.40000110.8R35 T36 I55 P56 E57 M61R35-T59 WeakPolarHBondContact CA-O 3.41Å; T36-T59 PolarHBondContact N-O 2.86Å; T36-T59 PolarHBondContact OG1-N 3.06Å; T36-T59 PolarHBondContact OG1-O 3.34Å; I55-T59 HydrophobicContact CG2-CG2 3.83Å; P56-T59 WeakPolarHBondContact CG-OG1 3.26Å; P56-T59 PolarHBondContact O-OG1 2.84Å; P56-T59 VanDerWaalsContact O-OG1 3.06Å; E57-T59 VanDerWaalsContact C-N 3.32Å; T59-M61 HydrophobicContact CG2-CE 4.25Å
60K94.4Very high92.3Very high147 Ų14763 Ų6364%0.63934%0.34SS*.EExtended strand (participates in β ladder)trans-87.7128.6172.4-65.8-171.6175.4-161.50109.8V34 E82V34-K60 WeakPolarHBondContact O-CA 3.39Å; K60-E82 IonicContact NZ-OE1 2.71Å
61M93.1Very high93Very high34 Ų3463.6 Ų63.617%0.16734%0.339CS..EExtended strand (participates in β ladder)trans-145.3166.9-179.158.9175.959.500111V34 T36 F40 I55 T59 L63V34-M61 HydrophobicContact CG2-CG 3.42Å; V34-M61 VanDerWaalsContact CG2-CG 3.42Å; V34-M61 HydrophobicContact CG2-SD 4.24Å; V34-M61 PolarHBondContact N-O 3.47Å; V34-M61 PolarHBondContact O-N 3.48Å; T36-M61 HydrophobicContact CG2-CE 3.44Å; T36-M61 VanDerWaalsContact CG2-CE 3.44Å; T36-M61 HydrophobicContact CG2-SD 3.92Å; F40-M61 HydrophobicContact CE2-SD 4.4Å; I55-M61 HydrophobicContact CD1-CE 3.65Å; I55-M61 HydrophobicContact CG2-CE 3.68Å; T59-M61 HydrophobicContact CG2-CE 4.25Å; M61-L63 HydrophobicContact CG-CD1 4.44Å; M61-L63 HydrophobicContact CG-CD2 4.49Å; M61-L63 HydrophobicContact CG-CG 4.09Å; M61-L63 HydrophobicContact SD-CD1 3.74Å; M61-L63 HydrophobicContact SD-CD2 3.9Å; M61-L63 HydrophobicContact SD-CG 3.81Å
62E94.5Very high93.4Very high103 Ų10357.5 Ų57.548%0.48130%0.303SS..EExtended strand (participates in β ladder)trans-113.1111.3177.6-70.1-69.9154.800108.6R31 L32 P33R31-E62 HydrophobicContact CB-CB 4.39Å; L32-E62 WeakPolarHBondContact O-CA 3.23Å; P33-E62 WeakPolarHBondContact CA-OE1 3.2Å; P33-E62 WeakPolarHBondContact CB-OE1 3.19Å
63L95.3Very high93.3Very high23 Ų2359.5 Ų59.512%0.1231%0.306CS..EExtended strand (participates in β ladder)trans-118.6146-178.1-65.3-174000111.4R31 L32 V34 M61 L67 C68 L71 L79R31-L63 CarbonylContact C-O 3.59Å; R31-L63 WeakPolarHBondContact CA-O 3.35Å; L32-L63 PolarHBondContact N-O 3.39Å; L32-L63 PolarHBondContact O-N 2.94Å; V34-L63 HydrophobicContact CG2-CB 4.21Å; V34-L63 HydrophobicContact CG2-CD1 3.86Å; V34-L63 HydrophobicContact CG2-CG 3.82Å; M61-L63 HydrophobicContact CG-CD1 4.44Å; M61-L63 HydrophobicContact CG-CD2 4.49Å; M61-L63 HydrophobicContact CG-CG 4.09Å; M61-L63 HydrophobicContact SD-CD1 3.74Å; M61-L63 HydrophobicContact SD-CD2 3.9Å; M61-L63 HydrophobicContact SD-CG 3.81Å; L63-L67 HydrophobicContact CD1-CD2 4.2Å; L63-L67 HydrophobicContact CD2-CD2 4.17Å; L63-C68 VanDerWaalsContact CB-SG 3.58Å; L63-L71 HydrophobicContact CD1-CD1 4.3Å; L63-L79 HydrophobicContact CD1-CD2 4.28Å
64P96.1Very high92.7Very high21 Ų2159.1 Ų59.114%0.13630%0.303CS..EExtended strand (participates in β ladder)trans-60.4146174.5-22.633.8000112.8E30 W66 L67 C68E30-P64 CarbonylContact O-C 3.56Å; E30-P64 WeakPolarHBondContact O-CA 3.45Å; P64-W66 VanDerWaalsContact C-N 3.32Å; P64-W66 HydrophobicContact CB-CG 4.34Å; P64-W66 PolarHBondContact O-N 3.49Å; P64-L67 WeakPolarHBondContact O-CB 3.04Å; P64-L67 PolarHBondContact O-N 2.9Å; P64-C68 PolarHBondContact O-N 3.06Å; P64-C68 PolarHBondContact O-SG 3.07Å; P64-C68 VanDerWaalsContact O-SG 3.33Å
65L95.5Very high92.1Very high0 Ų065.8 Ų65.80%033%0.329CS..Hα-helixtrans-52-45.3179.5170.868.3000113L27 S28 E30 L32 L67 C68 K69 L114 Q117 M118 F121L27-L65 HydrophobicContact CG-CD2 4.43Å; S28-L65 WeakPolarHBondContact O-CB 3.46Å; S28-L65 PolarHBondContact O-N 3.21Å; S28-L65 VanDerWaalsContact O-N 3.16Å; E30-L65 PolarHBondContact O-N 2.7Å; L32-L65 HydrophobicContact CD1-CB 4.1Å; L32-L65 HydrophobicContact CD1-CD1 3.65Å; L65-L67 PolarHBondContact O-N 3.48Å; L65-C68 PolarHBondContact O-N 3.32Å; L65-K69 HydrophobicContact CD1-CD 4.29Å; L65-K69 HydrophobicContact CD1-CG 4.17Å; L65-K69 HydrophobicContact CG-CD 4.3Å; L65-K69 WeakPolarHBondContact O-CG 3.41Å; L65-K69 PolarHBondContact O-N 3.48Å; L65-L114 HydrophobicContact CD2-CD1 4.15Å; L65-Q117 HydrophobicContact CD1-CB 4.21Å; L65-Q117 HydrophobicContact CD2-CB 3.71Å; L65-Q117 HydrophobicContact CD2-CG 3.89Å; L65-M118 HydrophobicContact CD1-CE 3.71Å; L65-F121 HydrophobicContact CD1-CE2 3.95Å; L65-F121 HydrophobicContact CD1-CZ 4.1Å
66W95.1Very high91.3Very high130 Ų13074.4 Ų74.449%0.49236%0.361SS..Hα-helixtrans-59-36.2179.863-101.1000112.5S28 Q29 P64 G70S28-W66 PolarHBondContact O-N 3.36Å; S28-W66 VanDerWaalsContact O-N 3.1Å; Q29-W66 VanDerWaalsContact OE1-NE1 3.12Å; P64-W66 VanDerWaalsContact C-N 3.32Å; P64-W66 HydrophobicContact CB-CG 4.34Å; P64-W66 PolarHBondContact O-N 3.49Å; W66-G70 PolarHBondContact O-N 2.88Å
67L94.9Very high90.7Very high54 Ų5478.3 Ų78.328%0.28337%0.372SS..Hα-helixtrans-75.9-42.6178.5-178.460.9000110.7L63 P64 L65 K69 G70 L71L63-L67 HydrophobicContact CD1-CD2 4.2Å; L63-L67 HydrophobicContact CD2-CD2 4.17Å; P64-L67 WeakPolarHBondContact O-CB 3.04Å; P64-L67 PolarHBondContact O-N 2.9Å; L65-L67 PolarHBondContact O-N 3.48Å; L67-K69 VanDerWaalsContact C-N 3.28Å; L67-K69 PolarHBondContact O-N 3.34Å; L67-G70 PolarHBondContact O-N 3.46Å; L67-G70 VanDerWaalsContact O-N 3.16Å; L67-L71 HydrophobicContact CD1-CD1 3.9Å; L67-L71 HydrophobicContact CD1-CG 4.05Å; L67-L71 HydrophobicContact CD2-CD1 4.42Å; L67-L71 HydrophobicContact CG-CD1 3.82Å; L67-L71 HydrophobicContact CG-CG 4.34Å; L67-L71 WeakPolarHBondContact O-CG 3.21Å; L67-L71 PolarHBondContact O-N 3.29Å
68C94.6Very high90.5Very high0 Ų074 Ų740%035%0.354CS..Hα-helixtrans-56.1-43.7175.5-660000111.6L32 V34 L63 P64 L65 G70 L71 Y72 V81 F121L32-C68 HydrophobicContact CD1-CB 4.21Å; V34-C68 VanDerWaalsContact CG1-SG 3.6Å; L63-C68 VanDerWaalsContact CB-SG 3.58Å; P64-C68 PolarHBondContact O-N 3.06Å; P64-C68 PolarHBondContact O-SG 3.07Å; P64-C68 VanDerWaalsContact O-SG 3.33Å; L65-C68 PolarHBondContact O-N 3.32Å; C68-G70 PolarHBondContact O-N 3.15Å; C68-L71 PolarHBondContact O-N 3.2Å; C68-Y72 WeakPolarHBondContact O-CB 3.42Å; C68-Y72 PolarHBondContact O-N 3.34Å; C68-V81 HydrophobicContact CB-CG2 4.46Å; C68-F121 HydrophobicContact CB-CE1 4.36Å; C68-F121 HydrophobicContact CB-CZ 3.93Å
69K92.5Very high90.5Very high43 Ų4373.1 Ų73.119%0.18734%0.344CS..Hα-helixtrans-61-42.7176.2-76.2175.3165.1-179.20113.1E17 L65 L67 F121E17-K69 IonicContact OE1-NZ 2.7Å; E17-K69 PolarHBondContact OE1-NZ 2.72Å; E17-K69 IonicContact OE2-NZ 2.7Å; E17-K69 PolarHBondContact OE2-NZ 3.06Å; L65-K69 HydrophobicContact CD1-CD 4.29Å; L65-K69 HydrophobicContact CD1-CG 4.17Å; L65-K69 HydrophobicContact CG-CD 4.3Å; L65-K69 WeakPolarHBondContact O-CG 3.41Å; L65-K69 PolarHBondContact O-N 3.48Å; L67-K69 VanDerWaalsContact C-N 3.28Å; L67-K69 PolarHBondContact O-N 3.34Å; K69-F121 HydrophobicContact CG-CZ 4.07Å
70G91.7Very high90.5Very high69 Ų6974.4 Ų74.471%0.71135%0.354SS*.Hα-helixtrans-70.6-32179.500000113.7W66 L67 C68W66-G70 PolarHBondContact O-N 2.88Å; L67-G70 PolarHBondContact O-N 3.46Å; L67-G70 VanDerWaalsContact O-N 3.16Å; C68-G70 PolarHBondContact O-N 3.15Å
71L92.2Very high90.5Very high52 Ų5268.4 Ų68.427%0.27233%0.33SS..Hα-helixtrans-87.8-16.3178.8-66.8177.7000113.3L63 L67 C68 E73 V78 L79L63-L71 HydrophobicContact CD1-CD1 4.3Å; L67-L71 HydrophobicContact CD1-CD1 3.9Å; L67-L71 HydrophobicContact CD1-CG 4.05Å; L67-L71 HydrophobicContact CD2-CD1 4.42Å; L67-L71 HydrophobicContact CG-CD1 3.82Å; L67-L71 HydrophobicContact CG-CG 4.34Å; L67-L71 WeakPolarHBondContact O-CG 3.21Å; L67-L71 PolarHBondContact O-N 3.29Å; C68-L71 PolarHBondContact O-N 3.2Å; L71-E73 PolarHBondContact O-N 3.3Å; L71-V78 WeakPolarHBondContact O-CB 3.49Å; L71-L79 HydrophobicContact CB-CD2 3.44Å; L71-L79 VanDerWaalsContact CB-CD2 3.44Å; L71-L79 HydrophobicContact CB-CG 4.1Å; L71-L79 HydrophobicContact CD1-CD2 3.76Å; L71-L79 HydrophobicContact CG-CD2 4.26Å
72Y90.8Very high90.4Very high51 Ų5169.8 Ų69.820%0.234%0.336CS..  trans-78.5116.6-179.6-178.6-99.9000111.3C68 K74 L79 F121 D122C68-Y72 WeakPolarHBondContact O-CB 3.42Å; C68-Y72 PolarHBondContact O-N 3.34Å; Y72-K74 HydrophobicContact CE1-CG 4.07Å; Y72-L79 HydrophobicContact CD2-CD1 4.45Å; Y72-F121 AromaticContact CD1-CD1 3.83Å; Y72-F121 HydrophobicContact CD1-CD1 3.83Å; Y72-F121 HydrophobicContact CD1-CE1 4.31Å; Y72-F121 AromaticContact CD2-CD1 3.65Å; Y72-F121 HydrophobicContact CD2-CD1 3.65Å; Y72-F121 HydrophobicContact CD2-CE1 4.24Å; Y72-F121 HydrophobicContact CE1-CD1 4.21Å; Y72-F121 HydrophobicContact CE2-CB 4.48Å; Y72-F121 HydrophobicContact CE2-CD1 4.05Å; Y72-F121 AromaticContact CG-CD1 3.53Å; Y72-F121 HydrophobicContact CG-CD1 3.53Å; Y72-F121 AromaticContact CG-CE1 3.85Å; Y72-F121 HydrophobicContact CG-CE1 3.85Å; Y72-D122 VanDerWaalsContact OH-CB 3.23Å; Y72-D122 WeakPolarHBondContact OH-CB 3.42Å; Y72-D122 PolarHBondContact OH-N 2.94Å; Y72-D122 PolarHBondContact OH-OD2 3.46Å
73E86.3Confident90.3Very high95 Ų9566 Ų6644%0.44432%0.318SS..  trans-129.9122.6175.5-177.7173.5-160.500110.6L71 K75 R76L71-E73 PolarHBondContact O-N 3.3Å; E73-K75 PolarHBondContact O-N 3.08Å; E73-K75 VanDerWaalsContact O-N 3.15Å; E73-R76 WeakPolarHBondContact CB-O 3.43Å; E73-R76 HydrophobicContact CG-CB 4.28Å; E73-R76 CarbonylContact O-C 3.32Å; E73-R76 VanDerWaalsContact O-C 3.29Å; E73-R76 PolarHBondContact O-N 3.33Å; E73-R76 WeakPolarHBondContact OE2-CB 3.25Å
74K79.2Confident90.2Very high135 Ų13565.8 Ų65.859%0.58732%0.319SS*.SBendtrans-57.7-33.9-174.3-63-169.9178.4-143.40113.9Y72 D122Y72-K74 HydrophobicContact CE1-CG 4.07Å; K74-D122 WeakPolarHBondContact CD-OD2 3.21Å; K74-D122 WeakPolarHBondContact CE-OD1 3.33Å; K74-D122 WeakPolarHBondContact CE-OD2 3.41Å; K74-D122 WeakPolarHBondContact CG-OD2 3.44Å; K74-D122 IonicContact NZ-OD1 3.64Å; K74-D122 PolarHBondContact NZ-OD1 3.37Å; K74-D122 IonicContact NZ-OD2 3.18Å; K74-D122 PolarHBondContact NZ-OD2 3.31Å
75K79.5Confident90Very high197 Ų19772.7 Ų72.786%0.85735%0.347SS*.SBendtrans-93.2-22.8-175.9-65.5-176.9-179177.90113.4E73E73-K75 PolarHBondContact O-N 3.08Å; E73-K75 VanDerWaalsContact O-N 3.15Å
76R77Confident89.9Confident180 Ų18073.4 Ų73.468%0.67935%0.35SS*.SBendtrans-132.596.8-178-67.2179.7175.8-175.3-0.2107.5E73 V78E73-R76 WeakPolarHBondContact CB-O 3.43Å; E73-R76 HydrophobicContact CG-CB 4.28Å; E73-R76 CarbonylContact O-C 3.32Å; E73-R76 VanDerWaalsContact O-C 3.29Å; E73-R76 PolarHBondContact O-N 3.33Å; E73-R76 WeakPolarHBondContact OE2-CB 3.25Å; R76-V78 PolarHBondContact O-N 3.43Å
77K80.8Confident89.8Confident143 Ų14367.4 Ų67.462%0.62233%0.328SS*.  trans-70.697.9179.5-62.9-174.7178.8-175.80108.3E37E37-K77 HydrophobicContact CB-CB 3.9Å; E37-K77 WeakPolarHBondContact CB-O 3.13Å; E37-K77 HydrophobicContact CG-CB 4.01Å
78V91.2Very high89.8Confident37 Ų3769.6 Ų69.622%0.22434%0.335CS..SBendtrans-80.6-38.2168.1176.90000109.2E37 F40 L71 R76E37-V78 PolarHBondContact N-O 3.43Å; F40-V78 HydrophobicContact CE1-CG1 3.53Å; F40-V78 HydrophobicContact CZ-CG1 3.82Å; L71-V78 WeakPolarHBondContact O-CB 3.49Å; R76-V78 PolarHBondContact O-N 3.43Å
79L93.1Very high89.7Confident3 Ų376 Ų762%0.01637%0.365CS..EExtended strand (participates in β ladder)trans-142.4159.9172.663.179.7000111.3V34 R35 L63 L71 Y72 V81V34-L79 HydrophobicContact CG1-CD1 4.43Å; R35-L79 CarbonylContact O-C 3.54Å; R35-L79 WeakPolarHBondContact O-CA 3.12Å; L63-L79 HydrophobicContact CD1-CD2 4.28Å; L71-L79 HydrophobicContact CB-CD2 3.44Å; L71-L79 VanDerWaalsContact CB-CD2 3.44Å; L71-L79 HydrophobicContact CB-CG 4.1Å; L71-L79 HydrophobicContact CD1-CD2 3.76Å; L71-L79 HydrophobicContact CG-CD2 4.26Å; Y72-L79 HydrophobicContact CD2-CD1 4.45Å; L79-V81 HydrophobicContact CD1-CG2 3.51Å
80S92.4Very high89.7Confident45 Ų4576.4 Ų76.432%0.31538%0.381SS..EExtended strand (participates in β ladder)trans-115.8130.6169.3-178.10000108.9V34 R35 E37V34-S80 CarbonylContact C-O 3.47Å; V34-S80 VanDerWaalsContact CA-O 3.26Å; V34-S80 WeakPolarHBondContact CA-O 3.41Å; V34-S80 WeakPolarHBondContact CB-O 3.33Å; R35-S80 PolarHBondContact N-O 3.25Å; R35-S80 PolarHBondContact O-N 3.15Å; E37-S80 VanDerWaalsContact OE1-CB 3.26Å; E37-S80 WeakPolarHBondContact OE1-CB 3.39Å
81V93.9Very high89.8Confident21 Ų2177.4 Ų77.413%0.12736%0.364CS..EExtended strand (participates in β ladder)trans-93.5123.8179.4-1770000109.1L32 V34 C68 L79 F121L32-V81 HydrophobicContact CB-CG1 4.46Å; L32-V81 HydrophobicContact CD1-CG1 4.22Å; V34-V81 HydrophobicContact CG1-CB 4.48Å; V34-V81 HydrophobicContact CG1-CG1 4.46Å; V34-V81 HydrophobicContact CG1-CG2 4.08Å; C68-V81 HydrophobicContact CB-CG2 4.46Å; L79-V81 HydrophobicContact CD1-CG2 3.51Å; V81-F121 HydrophobicContact CB-CB 4.44Å; V81-F121 HydrophobicContact CB-CD1 4.26Å; V81-F121 HydrophobicContact CB-CD2 4.19Å; V81-F121 HydrophobicContact CB-CG 4.02Å; V81-F121 HydrophobicContact CG1-CD2 3.95Å; V81-F121 HydrophobicContact CG1-CE2 4.13Å; V81-F121 HydrophobicContact CG1-CG 4.3Å; V81-F121 HydrophobicContact CG2-CD1 3.63Å; V81-F121 HydrophobicContact CG2-CD2 4.2Å; V81-F121 HydrophobicContact CG2-CE1 3.67Å; V81-F121 HydrophobicContact CG2-CE2 4.23Å; V81-F121 HydrophobicContact CG2-CG 3.9Å; V81-F121 HydrophobicContact CG2-CZ 3.98Å
82E93Very high89.9Confident64 Ų6476.2 Ų76.230%0.29936%0.356SS..PPolyproline II helixtrans-86.3141.8172.5-64-171.9-175.500109.7P33 K60 P84P33-E82 HydrophobicContact CB-CB 4.17Å; P33-E82 HydrophobicContact CG-CB 4.04Å; P33-E82 PolarHBondContact O-N 2.91Å; K60-E82 IonicContact NZ-OE1 2.71Å; E82-P84 WeakPolarHBondContact O-CD 3.06Å
83L92.2Very high90.1Very high22 Ų2277.7 Ų77.712%0.11537%0.37CS..PPolyproline II helixtrans-66.7128.4176.6-77.4170000111K88 N123 E125 I129L83-K88 WeakPolarHBondContact O-CE 3.44Å; L83-N123 WeakPolarHBondContact CD1-ND2 3.22Å; L83-N123 WeakPolarHBondContact CG-ND2 3.44Å; L83-E125 HydrophobicContact CD1-CB 4.48Å; L83-I129 HydrophobicContact CD1-CD1 3.88Å; L83-I129 HydrophobicContact CD2-CD1 3.57Å; L83-I129 HydrophobicContact CG-CD1 4.41Å
84P93.1Very high90.4Very high20 Ų2075.9 Ų75.913%0.1337%0.365CS..PPolyproline II helixtrans-54.5147.9168.8-25.833.7000111.7L32 E82 I86 Y87 M118L32-P84 HydrophobicContact CD2-CG 3.76Å; E82-P84 WeakPolarHBondContact O-CD 3.06Å; P84-I86 HydrophobicContact CB-CG2 4.31Å; P84-I86 PolarHBondContact O-N 2.96Å; P84-Y87 HydrophobicContact CB-CD2 3.96Å; P84-Y87 HydrophobicContact CB-CE2 4.33Å; P84-Y87 HydrophobicContact CG-CD2 4.07Å; P84-Y87 HydrophobicContact CG-CE2 4.31Å; P84-Y87 PolarHBondContact O-N 2.85Å; P84-M118 HydrophobicContact CG-SD 4.38Å
85K91.5Very high91.1Very high166 Ų16669.7 Ų69.772%0.72234%0.338SS*.G310 helixtrans-52.9-36.5-174.2-67.8-179.1-177.6175.70113.2Y87 K88K85-Y87 PolarHBondContact O-N 3.4Å; K85-K88 WeakPolarHBondContact O-CB 3.27Å; K85-K88 PolarHBondContact O-N 3.48Å
86I92.7Very high91.7Very high15 Ų1565.7 Ų65.78%0.07733%0.33CS..G310 helixtrans-64.4-24.9-178.5-171.7161.6000113.7P84 W91 F95 M107 Y111P84-I86 HydrophobicContact CB-CG2 4.31Å; P84-I86 PolarHBondContact O-N 2.96Å; I86-W91 WeakPolarHBondContact O-CB 3.4Å; I86-F95 HydrophobicContact CD1-CE2 4.3Å; I86-F95 HydrophobicContact CD1-CZ 3.98Å; I86-F95 HydrophobicContact CG1-CE2 3.84Å; I86-F95 HydrophobicContact CG1-CZ 4.05Å; I86-M107 HydrophobicContact CB-CE 4.29Å; I86-M107 HydrophobicContact CD1-CB 3.4Å; I86-M107 HydrophobicContact CD1-CE 3.95Å; I86-M107 HydrophobicContact CD1-CG 4.07Å; I86-M107 HydrophobicContact CG1-CE 4.14Å; I86-Y111 HydrophobicContact CD1-CD2 3.48Å; I86-Y111 VanDerWaalsContact CD1-CD2 3.48Å; I86-Y111 HydrophobicContact CD1-CE2 3.8Å; I86-Y111 HydrophobicContact CD1-CG 4.47Å; I86-Y111 HydrophobicContact CG1-CD2 3.93Å; I86-Y111 HydrophobicContact CG1-CE2 3.76Å
87Y93.9Very high92.5Very high4 Ų461.2 Ų61.22%0.01633%0.332CS..G310 helixtrans-95.7-5.7178.5-58.5-65.1000113.3P84 K85 R92 Y111 L114 G115 M118 I129 L133P84-Y87 HydrophobicContact CB-CD2 3.96Å; P84-Y87 HydrophobicContact CB-CE2 4.33Å; P84-Y87 HydrophobicContact CG-CD2 4.07Å; P84-Y87 HydrophobicContact CG-CE2 4.31Å; P84-Y87 PolarHBondContact O-N 2.85Å; K85-Y87 PolarHBondContact O-N 3.4Å; Y87-R92 PolarHBondContact O-NH1 3.42Å; Y87-Y111 HydrophobicContact CD1-CE2 4.03Å; Y87-Y111 AromaticContact CE1-CD2 3.73Å; Y87-Y111 HydrophobicContact CE1-CD2 3.73Å; Y87-Y111 AromaticContact CE1-CE2 3.43Å; Y87-Y111 HydrophobicContact CE1-CE2 3.43Å; Y87-Y111 VanDerWaalsContact CE1-CE2 3.43Å; Y87-Y111 PolarHBondContact OH-O 3.46Å; Y87-L114 HydrophobicContact CE2-CD2 3.78Å; Y87-L114 HydrophobicContact CE2-CG 4.13Å; Y87-L114 WeakPolarHBondContact OH-CB 3.48Å; Y87-G115 VanDerWaalsContact CZ-CA 3.48Å; Y87-G115 WeakPolarHBondContact OH-CA 3.49Å; Y87-G115 PolarHBondContact OH-N 3.28Å; Y87-M118 HydrophobicContact CD2-CG 4.24Å; Y87-M118 HydrophobicContact CE2-CG 4.2Å; Y87-I129 HydrophobicContact CD1-CG2 4.18Å; Y87-L133 HydrophobicContact CE1-CD2 4.05Å
88K93.6Very high93.1Very high99 Ų9957.4 Ų57.443%0.4332%0.318SS..SBendtrans-70.4157176.7-62.6-169.1179.2-168.20111L83 K85 G90 W91 R92L83-K88 WeakPolarHBondContact O-CE 3.44Å; K85-K88 WeakPolarHBondContact O-CB 3.27Å; K85-K88 PolarHBondContact O-N 3.48Å; K88-G90 VanDerWaalsContact C-N 3.26Å; K88-G90 PolarHBondContact O-N 2.99Å; K88-G90 VanDerWaalsContact O-N 3.11Å; K88-W91 PolarHBondContact O-N 3.24Å; K88-R92 PolarHBondContact O-N 2.84Å; K88-R92 VanDerWaalsContact O-N 3.14Å
89E93.4Very high93.2Very high134 Ų13456.2 Ų56.263%0.62631%0.312SS*.Hα-helixtrans-46.1-45.6-177.2-167.4-178176.800114W91 R92 T93E89-W91 VanDerWaalsContact C-N 3.27Å; E89-W91 PolarHBondContact O-N 3.09Å; E89-R92 WeakPolarHBondContact O-CB 3.45Å; E89-R92 PolarHBondContact O-N 3.05Å; E89-T93 PolarHBondContact O-N 2.88Å
90G92.9Very high93.2Very high52 Ų5257.6 Ų57.654%0.53632%0.319SS..Hα-helixtrans-60.5-30.7-17900000114.7K88 T93K88-G90 VanDerWaalsContact C-N 3.26Å; K88-G90 PolarHBondContact O-N 2.99Å; K88-G90 VanDerWaalsContact O-N 3.11Å; G90-T93 PolarHBondContact O-OG1 3.28Å
91W93.8Very high93.1Very high90 Ų9059.9 Ų59.934%0.34133%0.331SS..Hα-helixtrans-85-31.6172.9-85.897.5000112I86 K88 E89 T93 V94 F95 V102 M107I86-W91 WeakPolarHBondContact O-CB 3.4Å; K88-W91 PolarHBondContact O-N 3.24Å; E89-W91 VanDerWaalsContact C-N 3.27Å; E89-W91 PolarHBondContact O-N 3.09Å; W91-T93 VanDerWaalsContact C-N 3.27Å; W91-T93 PolarHBondContact O-N 3.36Å; W91-V94 HydrophobicContact CE3-CB 4.32Å; W91-V94 HydrophobicContact CE3-CG1 4.35Å; W91-V94 HydrophobicContact CZ3-CG1 4.32Å; W91-V94 WeakPolarHBondContact O-CB 3.47Å; W91-V94 PolarHBondContact O-N 2.98Å; W91-V94 VanDerWaalsContact O-N 3.15Å; W91-F95 HydrophobicContact CB-CE2 4.33Å; W91-F95 HydrophobicContact CE3-CE2 4.37Å; W91-F95 WeakPolarHBondContact O-CD2 3.29Å; W91-F95 PolarHBondContact O-N 2.73Å; W91-V102 HydrophobicContact CZ3-CG1 4.32Å; W91-M107 HydrophobicContact CD2-CE 3.8Å; W91-M107 VanDerWaalsContact CE2-CE 3.47Å; W91-M107 HydrophobicContact CE3-CE 3.89Å; W91-M107 HydrophobicContact CH2-CE 3.4Å; W91-M107 HydrophobicContact CH2-SD 4.02Å; W91-M107 HydrophobicContact CZ2-CE 3.28Å; W91-M107 HydrophobicContact CZ2-SD 4.2Å; W91-M107 HydrophobicContact CZ3-CE 3.71Å
92R93.7Very high93Very high28 Ų2859.3 Ų59.311%0.10633%0.327CS..Hα-helixtrans-59.5-38.8173.6-63.5-168.9-60-107.77.7111.6Y87 K88 E89 V94 F95 T96 E125 A132Y87-R92 PolarHBondContact O-NH1 3.42Å; K88-R92 PolarHBondContact O-N 2.84Å; K88-R92 VanDerWaalsContact O-N 3.14Å; E89-R92 WeakPolarHBondContact O-CB 3.45Å; E89-R92 PolarHBondContact O-N 3.05Å; R92-V94 VanDerWaalsContact C-N 3.35Å; R92-V94 PolarHBondContact O-N 3.04Å; R92-F95 PolarHBondContact O-N 2.89Å; R92-T96 PolarHBondContact O-N 3.18Å; R92-T96 PolarHBondContact O-OG1 2.74Å; R92-E125 IonicContact CZ-OE2 3.66Å; R92-E125 IonicContact NH1-OE2 3.53Å; R92-E125 PolarHBondContact NH1-OE2 3.16Å; R92-E125 IonicContact NH2-OE2 2.9Å; R92-E125 PolarHBondContact NH2-OE2 3.4Å; R92-A132 HydrophobicContact CB-CB 4.49Å; R92-A132 HydrophobicContact CG-CB 4.12Å
93T94.2Very high93.1Very high82 Ų8257.6 Ų57.650%0.50332%0.32SS..Hα-helixtrans-65.3-36.5175.560.30000112.9E89 G90 W91 T96 A97E89-T93 PolarHBondContact O-N 2.88Å; G90-T93 PolarHBondContact O-OG1 3.28Å; W91-T93 VanDerWaalsContact C-N 3.27Å; W91-T93 PolarHBondContact O-N 3.36Å; T93-T96 PolarHBondContact O-N 3.11Å; T93-A97 PolarHBondContact O-N 2.78Å
94V93.8Very high93.2Very high57 Ų5756.6 Ų56.635%0.34532%0.315SS..Hα-helixtrans-62.9-46.1174176.30000110.8W91 R92 T96 A97 D98 V102W91-V94 HydrophobicContact CE3-CB 4.32Å; W91-V94 HydrophobicContact CE3-CG1 4.35Å; W91-V94 HydrophobicContact CZ3-CG1 4.32Å; W91-V94 WeakPolarHBondContact O-CB 3.47Å; W91-V94 PolarHBondContact O-N 2.98Å; W91-V94 VanDerWaalsContact O-N 3.15Å; R92-V94 VanDerWaalsContact C-N 3.35Å; R92-V94 PolarHBondContact O-N 3.04Å; V94-T96 VanDerWaalsContact C-N 3.32Å; V94-T96 PolarHBondContact O-N 2.85Å; V94-A97 PolarHBondContact O-N 3.45Å; V94-D98 PolarHBondContact O-N 3.32Å; V94-D98 VanDerWaalsContact O-N 3.16Å; V94-V102 HydrophobicContact CG1-CG2 3.96Å
95F93.3Very high93.2Very high5 Ų559.3 Ų59.32%0.02233%0.326CS..Hα-helixtrans-64.2-35.9177-73-60.8000112.9I86 W91 R92 A97 P99 V102 L104 Y111 T136I86-F95 HydrophobicContact CD1-CE2 4.3Å; I86-F95 HydrophobicContact CD1-CZ 3.98Å; I86-F95 HydrophobicContact CG1-CE2 3.84Å; I86-F95 HydrophobicContact CG1-CZ 4.05Å; W91-F95 HydrophobicContact CB-CE2 4.33Å; W91-F95 HydrophobicContact CE3-CE2 4.37Å; W91-F95 WeakPolarHBondContact O-CD2 3.29Å; W91-F95 PolarHBondContact O-N 2.73Å; R92-F95 PolarHBondContact O-N 2.89Å; F95-A97 VanDerWaalsContact C-N 3.32Å; F95-P99 HydrophobicContact CD1-CB 4.36Å; F95-P99 VanDerWaalsContact O-CD 3.3Å; F95-P99 WeakPolarHBondContact O-CD 3.26Å; F95-V102 HydrophobicContact CD1-CB 4.49Å; F95-V102 HydrophobicContact CD1-CG2 4.09Å; F95-V102 HydrophobicContact CE1-CB 3.87Å; F95-V102 HydrophobicContact CE1-CG1 3.69Å; F95-V102 HydrophobicContact CE1-CG2 3.86Å; F95-V102 HydrophobicContact CZ-CG1 4.02Å; F95-L104 HydrophobicContact CE1-CD2 3.69Å; F95-L104 HydrophobicContact CZ-CD2 3.95Å; F95-Y111 AromaticContact CE2-CE2 3.88Å; F95-Y111 HydrophobicContact CE2-CE2 3.88Å; F95-Y111 AromaticContact CE2-CZ 3.9Å; F95-Y111 AromaticContact CZ-CE2 3.95Å; F95-Y111 HydrophobicContact CZ-CE2 3.95Å; F95-Y111 AromaticContact CZ-CZ 3.97Å; F95-T136 WeakPolarHBondContact CB-OG1 3.46Å; F95-T136 HydrophobicContact CD1-CG2 3.78Å; F95-T136 HydrophobicContact CE1-CG2 4.17Å; F95-T136 HydrophobicContact CG-CG2 4.45Å
96T91.8Very high93.1Very high112 Ų11259.6 Ų59.669%0.68733%0.327SS*.Hα-helixtrans-67.1-33.1174-59.70000112.4R92 T93 V94R92-T96 PolarHBondContact O-N 3.18Å; R92-T96 PolarHBondContact O-OG1 2.74Å; T93-T96 PolarHBondContact O-N 3.11Å; V94-T96 VanDerWaalsContact C-N 3.32Å; V94-T96 PolarHBondContact O-N 2.85Å
97A94.1Very high92.9Very high87 Ų8762.3 Ų62.372%0.71934%0.34SS*.Hα-helixtrans-72.3-57-179.500000112.4T93 V94 F95T93-A97 PolarHBondContact O-N 2.78Å; V94-A97 PolarHBondContact O-N 3.45Å; F95-A97 VanDerWaalsContact C-N 3.32Å
98D92.9Very high92.5Very high62 Ų6262.9 Ų62.933%0.33235%0.348SS..  trans-157.6109.5168.7-177.24.6000110.3V94 N100 V101V94-D98 PolarHBondContact O-N 3.32Å; V94-D98 VanDerWaalsContact O-N 3.16Å; D98-N100 PolarHBondContact O-N 3.02Å; D98-N100 VanDerWaalsContact OD1-CB 3.24Å; D98-N100 WeakPolarHBondContact OD1-CB 3.22Å; D98-N100 PolarHBondContact OD1-N 3.04Å; D98-N100 PolarHBondContact OD1-ND2 3.21Å; D98-V101 HydrophobicContact CB-CG2 4.27Å; D98-V101 VanDerWaalsContact O-CG2 3.28Å; D98-V101 WeakPolarHBondContact O-CG2 3.34Å; D98-V101 WeakPolarHBondContact OD2-CG1 3.44Å
99P93.4Very high92.4Very high13 Ų1360 Ų608%0.08434%0.339CS..G310 helixtrans-73.3-15.5179.931.4-35000112.6F95 V102 T136 R140F95-P99 HydrophobicContact CD1-CB 4.36Å; F95-P99 VanDerWaalsContact O-CD 3.3Å; F95-P99 WeakPolarHBondContact O-CD 3.26Å; P99-V102 PolarHBondContact O-N 2.89Å; P99-T136 HydrophobicContact CB-CG2 3.83Å; P99-R140 HydrophobicContact CB-CG 3.8Å; P99-R140 HydrophobicContact CG-CG 4.01Å; P99-R140 WeakPolarHBondContact O-CD 3.11Å; P99-R140 PolarHBondContact O-NH1 3.5Å
100N92.6Very high92.4Very high31 Ų3155 Ų5517%0.16632%0.315CS..G310 helixtrans-76.9-21.1-175.4-66.4-79.8000114D98 V102 G139 R143D98-N100 PolarHBondContact O-N 3.02Å; D98-N100 VanDerWaalsContact OD1-CB 3.24Å; D98-N100 WeakPolarHBondContact OD1-CB 3.22Å; D98-N100 PolarHBondContact OD1-N 3.04Å; D98-N100 PolarHBondContact OD1-ND2 3.21Å; N100-V102 VanDerWaalsContact C-N 3.33Å; N100-G139 PolarHBondContact ND2-O 2.98Å; N100-R143 WeakPolarHBondContact OD1-CD 3.38Å
101V91.3Very high92.5Very high93 Ų9352.8 Ų52.856%0.56429%0.29SS*.G310 helixtrans-82.7-13.2177.6-64.80000112.8D98 R162D98-V101 HydrophobicContact CB-CG2 4.27Å; D98-V101 VanDerWaalsContact O-CG2 3.28Å; D98-V101 WeakPolarHBondContact O-CG2 3.34Å; D98-V101 WeakPolarHBondContact OD2-CG1 3.44Å; V101-R162 VanDerWaalsContact C-NH2 3.29Å; V101-R162 PolarHBondContact O-NH2 3.14Å
102V92.8Very high92.5Very high9 Ų949.2 Ų49.26%0.05528%0.277CS..SBendtrans-82.1136.5-179.9-173.20000110.9W91 V94 F95 P99 N100 L104 R140W91-V102 HydrophobicContact CZ3-CG1 4.32Å; V94-V102 HydrophobicContact CG1-CG2 3.96Å; F95-V102 HydrophobicContact CD1-CB 4.49Å; F95-V102 HydrophobicContact CD1-CG2 4.09Å; F95-V102 HydrophobicContact CE1-CB 3.87Å; F95-V102 HydrophobicContact CE1-CG1 3.69Å; F95-V102 HydrophobicContact CE1-CG2 3.86Å; F95-V102 HydrophobicContact CZ-CG1 4.02Å; P99-V102 PolarHBondContact O-N 2.89Å; N100-V102 VanDerWaalsContact C-N 3.33Å; V102-L104 HydrophobicContact CG1-CD2 4.24Å; V102-R140 PolarHBondContact O-NH1 3.02Å
103D94.3Very high92.5Very high29 Ų2949.1 Ų49.116%0.15528%0.284CS..  trans-90.295.6170.3-174.1-22.2000108.6H105 K106 M107 R162D103-H105 VanDerWaalsContact C-N 3.29Å; D103-H105 PolarHBondContact O-N 3.27Å; D103-H105 PolarHBondContact OD1-N 2.7Å; D103-K106 HydrophobicContact CB-CB 4.4Å; D103-K106 HydrophobicContact CB-CD 4.38Å; D103-K106 PolarHBondContact OD1-N 3.2Å; D103-K106 VanDerWaalsContact OD1-N 3.16Å; D103-K106 WeakPolarHBondContact OD2-CD 3.45Å; D103-K106 WeakPolarHBondContact OD2-CE 3.5Å; D103-K106 WeakPolarHBondContact OD2-CG 3.37Å; D103-K106 IonicContact OD2-NZ 3.34Å; D103-M107 VanDerWaalsContact O-CG 3.3Å; D103-M107 WeakPolarHBondContact O-CG 3.48Å; D103-R162 WeakPolarHBondContact OD1-CA 3.34Å
104L93.9Very high92.5Very high0 Ų045.9 Ų45.90%026%0.264CS..Hα-helixtrans-66.2-36-177.3-69-178.7000110.9F95 V102 K106 M107 G108 Y111 Y112 R162 D164F95-L104 HydrophobicContact CE1-CD2 3.69Å; F95-L104 HydrophobicContact CZ-CD2 3.95Å; V102-L104 HydrophobicContact CG1-CD2 4.24Å; L104-K106 VanDerWaalsContact C-N 3.33Å; L104-K106 PolarHBondContact O-N 3.46Å; L104-M107 PolarHBondContact O-N 2.89Å; L104-M107 VanDerWaalsContact O-N 3.07Å; L104-G108 CarbonylContact O-C 3.56Å; L104-G108 PolarHBondContact O-N 3.12Å; L104-G108 VanDerWaalsContact O-N 3.16Å; L104-Y111 HydrophobicContact CD1-CD1 4.33Å; L104-Y111 HydrophobicContact CD2-CD1 3.96Å; L104-Y111 HydrophobicContact CD2-CD2 4.49Å; L104-Y111 HydrophobicContact CD2-CE1 4.47Å; L104-Y111 HydrophobicContact CD2-CG 3.95Å; L104-Y112 HydrophobicContact CD1-CE2 3.95Å; L104-R162 PolarHBondContact N-O 2.89Å; L104-D164 HydrophobicContact CB-CB 4.34Å; L104-D164 HydrophobicContact CD1-CB 4.04Å
105H92.6Very high92.6Very high77 Ų7743.2 Ų43.236%0.35625%0.247SC..Hα-helixtrans-61.5-40.4-177.4-167.152.9000112.8D103 M107 G161 K168D103-H105 VanDerWaalsContact C-N 3.29Å; D103-H105 PolarHBondContact O-N 3.27Å; D103-H105 PolarHBondContact OD1-N 2.7Å; H105-M107 VanDerWaalsContact C-N 3.3Å; H105-M107 PolarHBondContact O-N 3.05Å; H105-G161 WeakPolarHBondContact CB-O 3.35Å; H105-G161 PolarHBondContact CD2-O 3.44Å; H105-G161 VanDerWaalsContact CD2-O 3.31Å; H105-K168 PolarHBondContact CE1-NZ 3.35Å; H105-K168 PolarHBondContact ND1-NZ 3.24Å
106K91Very high92.6Very high173 Ų17344.3 Ų44.375%0.75226%0.256SS*.Hα-helixtrans-69.2-27.4176.3-74.7-176.3-173.7171.50114D103 L104D103-K106 HydrophobicContact CB-CB 4.4Å; D103-K106 HydrophobicContact CB-CD 4.38Å; D103-K106 PolarHBondContact OD1-N 3.2Å; D103-K106 VanDerWaalsContact OD1-N 3.16Å; D103-K106 WeakPolarHBondContact OD2-CD 3.45Å; D103-K106 WeakPolarHBondContact OD2-CE 3.5Å; D103-K106 WeakPolarHBondContact OD2-CG 3.37Å; D103-K106 IonicContact OD2-NZ 3.34Å; L104-K106 VanDerWaalsContact C-N 3.33Å; L104-K106 PolarHBondContact O-N 3.46Å
107M87.1Confident92.7Very high71 Ų7139.1 Ų39.135%0.3522%0.224SC..Hα-helixtrans-86.3-13.5-177.4-60.1-70.5-76.100113I86 W91 D103 L104 H105I86-M107 HydrophobicContact CB-CE 4.29Å; I86-M107 HydrophobicContact CD1-CB 3.4Å; I86-M107 HydrophobicContact CD1-CE 3.95Å; I86-M107 HydrophobicContact CD1-CG 4.07Å; I86-M107 HydrophobicContact CG1-CE 4.14Å; W91-M107 HydrophobicContact CD2-CE 3.8Å; W91-M107 VanDerWaalsContact CE2-CE 3.47Å; W91-M107 HydrophobicContact CE3-CE 3.89Å; W91-M107 HydrophobicContact CH2-CE 3.4Å; W91-M107 HydrophobicContact CH2-SD 4.02Å; W91-M107 HydrophobicContact CZ2-CE 3.28Å; W91-M107 HydrophobicContact CZ2-SD 4.2Å; W91-M107 HydrophobicContact CZ3-CE 3.71Å; D103-M107 VanDerWaalsContact O-CG 3.3Å; D103-M107 WeakPolarHBondContact O-CG 3.48Å; L104-M107 PolarHBondContact O-N 2.89Å; L104-M107 VanDerWaalsContact O-N 3.07Å; H105-M107 VanDerWaalsContact C-N 3.3Å; H105-M107 PolarHBondContact O-N 3.05Å
108G86.6Confident92.7Very high17 Ų1735.1 Ų35.118%0.17519%0.19CC..  trans142.8116.8-175.400000108.1L104 Y110 Y111L104-G108 CarbonylContact O-C 3.56Å; L104-G108 PolarHBondContact O-N 3.12Å; L104-G108 VanDerWaalsContact O-N 3.16Å; G108-Y110 PolarHBondContact O-N 2.97Å; G108-Y111 PolarHBondContact O-N 3.29Å
109P89.9Confident92.7Very high37 Ų3734.2 Ų34.224%0.2419%0.185CC..THydrogen-bonded Turntrans-64.9-7.9-17426.1-33.5000114.4C165P109-C165 WeakPolarHBondContact O-CB 3.12Å; P109-C165 PolarHBondContact O-N 3.45Å; P109-C165 PolarHBondContact O-SG 3.17Å
110Y94Very high92.6Very high31 Ų3136.1 Ų36.112%0.12219%0.193CC..THydrogen-bonded Turntrans-122.843.8-178.8-57.1-80.6000112.7D23 L26 L27 G108 Y112 G113 L114 D164 C165D23-Y110 HydrophobicContact CB-CE1 4.14Å; L26-Y110 HydrophobicContact CB-CE2 4.22Å; L26-Y110 WeakPolarHBondContact CB-OH 3.37Å; L27-Y110 HydrophobicContact CB-CD1 4.2Å; L27-Y110 HydrophobicContact CB-CD2 4.28Å; L27-Y110 HydrophobicContact CB-CG 4.05Å; L27-Y110 HydrophobicContact CD1-CG 4.16Å; G108-Y110 PolarHBondContact O-N 2.97Å; Y110-Y112 VanDerWaalsContact C-N 3.33Å; Y110-Y112 PolarHBondContact O-N 3.29Å; Y110-G113 PolarHBondContact O-N 2.98Å; Y110-L114 VanDerWaalsContact O-CB 3.22Å; Y110-L114 WeakPolarHBondContact O-CB 3.5Å; Y110-L114 PolarHBondContact O-N 2.96Å; Y110-D164 VanDerWaalsContact C-OD1 3.26Å; Y110-D164 VanDerWaalsContact CA-OD1 3.29Å; Y110-D164 WeakPolarHBondContact CA-OD1 3.25Å; Y110-C165 HydrophobicContact CD1-CB 3.85Å; Y110-C165 HydrophobicContact CE1-CB 3.76Å; Y110-C165 VanDerWaalsContact CE1-SG 3.51Å
111Y94.6Very high92.6Very high5 Ų535.2 Ų35.22%0.0219%0.187CC..Hα-helixtrans-51.3-47-179.5171.7-106000113.5I86 Y87 F95 L104 G108 G115 L133 T136 D164I86-Y111 HydrophobicContact CD1-CD2 3.48Å; I86-Y111 VanDerWaalsContact CD1-CD2 3.48Å; I86-Y111 HydrophobicContact CD1-CE2 3.8Å; I86-Y111 HydrophobicContact CD1-CG 4.47Å; I86-Y111 HydrophobicContact CG1-CD2 3.93Å; I86-Y111 HydrophobicContact CG1-CE2 3.76Å; Y87-Y111 HydrophobicContact CD1-CE2 4.03Å; Y87-Y111 AromaticContact CE1-CD2 3.73Å; Y87-Y111 HydrophobicContact CE1-CD2 3.73Å; Y87-Y111 AromaticContact CE1-CE2 3.43Å; Y87-Y111 HydrophobicContact CE1-CE2 3.43Å; Y87-Y111 VanDerWaalsContact CE1-CE2 3.43Å; Y87-Y111 PolarHBondContact OH-O 3.46Å; F95-Y111 AromaticContact CE2-CE2 3.88Å; F95-Y111 HydrophobicContact CE2-CE2 3.88Å; F95-Y111 AromaticContact CE2-CZ 3.9Å; F95-Y111 AromaticContact CZ-CE2 3.95Å; F95-Y111 HydrophobicContact CZ-CE2 3.95Å; F95-Y111 AromaticContact CZ-CZ 3.97Å; L104-Y111 HydrophobicContact CD1-CD1 4.33Å; L104-Y111 HydrophobicContact CD2-CD1 3.96Å; L104-Y111 HydrophobicContact CD2-CD2 4.49Å; L104-Y111 HydrophobicContact CD2-CE1 4.47Å; L104-Y111 HydrophobicContact CD2-CG 3.95Å; G108-Y111 PolarHBondContact O-N 3.29Å; Y111-G115 PolarHBondContact O-N 2.99Å; Y111-L133 HydrophobicContact CD1-CD2 4.13Å; Y111-L133 HydrophobicContact CE1-CD2 3.56Å; Y111-L133 HydrophobicContact CE2-CD2 4.22Å; Y111-T136 HydrophobicContact CE1-CG2 3.87Å; Y111-D164 PolarHBondContact N-OD1 3.5Å
112Y94.6Very high92.4Very high15 Ų1535.2 Ų35.26%0.05918%0.184CC..Hα-helixtrans-72.6-40.6-179.8-57.4-69.2000112.2L104 Y110 S116 L133 T136 F137 D164 L166 E167L104-Y112 HydrophobicContact CD1-CE2 3.95Å; Y110-Y112 VanDerWaalsContact C-N 3.33Å; Y110-Y112 PolarHBondContact O-N 3.29Å; Y112-S116 WeakPolarHBondContact O-CB 3.33Å; Y112-S116 PolarHBondContact O-N 3.06Å; Y112-S116 VanDerWaalsContact O-N 3.09Å; Y112-S116 PolarHBondContact O-OG 2.87Å; Y112-L133 HydrophobicContact CD1-CD2 4.4Å; Y112-T136 HydrophobicContact CE1-CG2 4.22Å; Y112-F137 HydrophobicContact CD1-CB 4.41Å; Y112-F137 HydrophobicContact CE1-CB 3.76Å; Y112-F137 HydrophobicContact CE1-CD2 4.36Å; Y112-F137 HydrophobicContact CE2-CD2 4.44Å; Y112-D164 HydrophobicContact CD2-CB 3.82Å; Y112-D164 VanDerWaalsContact CD2-CG 3.44Å; Y112-D164 WeakPolarHBondContact CD2-OD2 3.28Å; Y112-D164 HydrophobicContact CE2-CB 3.69Å; Y112-L166 HydrophobicContact CD2-CB 4.36Å; Y112-E167 HydrophobicContact CE2-CG 3.9Å; Y112-E167 PolarHBondContact OH-OE1 2.98Å
113G94.1Very high92.3Very high25 Ų2536.7 Ų36.726%0.25819%0.192SC..Hα-helixtrans-63.8-57.9178.200000110.8Y110 G115 S116 Q117Y110-G113 PolarHBondContact O-N 2.98Å; G113-G115 VanDerWaalsContact C-N 3.3Å; G113-G115 PolarHBondContact O-N 3.06Å; G113-S116 WeakPolarHBondContact O-CB 3.46Å; G113-S116 PolarHBondContact O-N 2.98Å; G113-S116 VanDerWaalsContact O-N 3.09Å; G113-Q117 WeakPolarHBondContact O-CG 3.12Å; G113-Q117 PolarHBondContact O-N 2.77Å
114L94.5Very high92.2Very high15 Ų1541.1 Ų41.18%0.07922%0.222CC..Hα-helixtrans-56.6-44.1179.2-175.671.5000111.6L27 E30 L32 L65 Y87 Y110 S116 Q117 M118L27-L114 HydrophobicContact CD1-CB 3.65Å; L27-L114 HydrophobicContact CD1-CD1 4.02Å; L27-L114 HydrophobicContact CD1-CG 4.48Å; E30-L114 HydrophobicContact CB-CD1 4.42Å; E30-L114 WeakPolarHBondContact OE2-CD2 3.23Å; L32-L114 HydrophobicContact CD2-CD1 4.22Å; L65-L114 HydrophobicContact CD2-CD1 4.15Å; Y87-L114 HydrophobicContact CE2-CD2 3.78Å; Y87-L114 HydrophobicContact CE2-CG 4.13Å; Y87-L114 WeakPolarHBondContact OH-CB 3.48Å; Y110-L114 VanDerWaalsContact O-CB 3.22Å; Y110-L114 WeakPolarHBondContact O-CB 3.5Å; Y110-L114 PolarHBondContact O-N 2.96Å; L114-S116 VanDerWaalsContact C-N 3.3Å; L114-S116 PolarHBondContact O-N 3.09Å; L114-Q117 CarbonylContact O-C 3.29Å; L114-Q117 WeakPolarHBondContact O-CA 3.36Å; L114-Q117 PolarHBondContact O-N 3.31Å; L114-Q117 VanDerWaalsContact O-N 3.08Å; L114-M118 HydrophobicContact CD1-CE 3.8Å; L114-M118 HydrophobicContact CG-CE 4.23Å; L114-M118 WeakPolarHBondContact O-CG 3.1Å; L114-M118 PolarHBondContact O-N 3.22Å
115G94.8Very high92.1Very high0 Ų044.2 Ų44.20%024%0.236CC..Hα-helixtrans-62-38.1179.300000112.5Y87 Y111 G113 M118 L133Y87-G115 VanDerWaalsContact CZ-CA 3.48Å; Y87-G115 WeakPolarHBondContact OH-CA 3.49Å; Y87-G115 PolarHBondContact OH-N 3.28Å; Y111-G115 PolarHBondContact O-N 2.99Å; G113-G115 VanDerWaalsContact C-N 3.3Å; G113-G115 PolarHBondContact O-N 3.06Å; G115-M118 PolarHBondContact O-N 2.77Å; G115-L133 VanDerWaalsContact C-CD1 3.48Å
116S94.6Very high92.2Very high29 Ų2941.8 Ų41.820%0.20323%0.226CC..Hα-helixtrans-68.7-37.7174.1-53.30000111.5G14 Y112 G113 L114 M118 L119G14-S116 WeakPolarHBondContact O-CB 3.37Å; Y112-S116 WeakPolarHBondContact O-CB 3.33Å; Y112-S116 PolarHBondContact O-N 3.06Å; Y112-S116 VanDerWaalsContact O-N 3.09Å; Y112-S116 PolarHBondContact O-OG 2.87Å; G113-S116 WeakPolarHBondContact O-CB 3.46Å; G113-S116 PolarHBondContact O-N 2.98Å; G113-S116 VanDerWaalsContact O-N 3.09Å; L114-S116 VanDerWaalsContact C-N 3.3Å; L114-S116 PolarHBondContact O-N 3.09Å; S116-M118 VanDerWaalsContact C-N 3.31Å; S116-M118 PolarHBondContact O-N 3.09Å; S116-L119 WeakPolarHBondContact O-CB 2.93Å; S116-L119 WeakPolarHBondContact O-CG 3.14Å; S116-L119 PolarHBondContact O-N 3.26Å
117Q94.1Very high92.3Very high3 Ų337.6 Ų37.61%0.01422%0.217CC..Hα-helixtrans-68.1-29.5175.8-60.3-50.9-31.900113G14 L27 L65 G113 L114 L119 H120G14-Q117 PolarHBondContact O-NE2 3.38Å; L27-Q117 HydrophobicContact CD2-CG 4Å; L65-Q117 HydrophobicContact CD1-CB 4.21Å; L65-Q117 HydrophobicContact CD2-CB 3.71Å; L65-Q117 HydrophobicContact CD2-CG 3.89Å; G113-Q117 WeakPolarHBondContact O-CG 3.12Å; G113-Q117 PolarHBondContact O-N 2.77Å; L114-Q117 CarbonylContact O-C 3.29Å; L114-Q117 WeakPolarHBondContact O-CA 3.36Å; L114-Q117 PolarHBondContact O-N 3.31Å; L114-Q117 VanDerWaalsContact O-N 3.08Å; Q117-L119 PolarHBondContact O-N 3.08Å; Q117-H120 WeakPolarHBondContact O-CB 3.49Å; Q117-H120 PolarHBondContact O-N 3.45Å; Q117-H120 PolarHBondContact O-ND1 2.86Å; Q117-H120 PolarHBondContact OE1-CE1 3.42Å; Q117-H120 PolarHBondContact OE1-ND1 2.69Å
118M93.2Very high92.7Very high3 Ų338.3 Ų38.32%0.01522%0.222CC..Hα-helixtrans-60.6-26.2175.1-70-55.394.300112.8L32 L65 P84 Y87 L114 G115 S116 H120 F121L32-M118 HydrophobicContact CD1-CE 3.6Å; L32-M118 HydrophobicContact CD1-SD 4.36Å; L32-M118 HydrophobicContact CD2-CE 3.66Å; L32-M118 HydrophobicContact CD2-SD 3.92Å; L32-M118 HydrophobicContact CG-CE 4.26Å; L65-M118 HydrophobicContact CD1-CE 3.71Å; P84-M118 HydrophobicContact CG-SD 4.38Å; Y87-M118 HydrophobicContact CD2-CG 4.24Å; Y87-M118 HydrophobicContact CE2-CG 4.2Å; L114-M118 HydrophobicContact CD1-CE 3.8Å; L114-M118 HydrophobicContact CG-CE 4.23Å; L114-M118 WeakPolarHBondContact O-CG 3.1Å; L114-M118 PolarHBondContact O-N 3.22Å; G115-M118 PolarHBondContact O-N 2.77Å; S116-M118 VanDerWaalsContact C-N 3.31Å; S116-M118 PolarHBondContact O-N 3.09Å; M118-H120 PolarHBondContact O-N 3.39Å; M118-H120 VanDerWaalsContact O-N 3.11Å; M118-F121 HydrophobicContact CE-CD2 4.27Å; M118-F121 HydrophobicContact CE-CE2 3.82Å; M118-F121 PolarHBondContact O-N 3.19Å; M118-F121 HydrophobicContact SD-CD2 4.24Å; M118-F121 HydrophobicContact SD-CE2 4.33Å
119L93.1Very high93.1Very high42 Ų4237.6 Ų37.622%0.2221%0.214CC..THydrogen-bonded Turntrans-66.2-11.2179.4-54.4178.1000113.4M15 S116 Q117 F121 N126 I129 A130M15-L119 HydrophobicContact CG-CB 4.24Å; M15-L119 HydrophobicContact SD-CB 4.16Å; S116-L119 WeakPolarHBondContact O-CB 2.93Å; S116-L119 WeakPolarHBondContact O-CG 3.14Å; S116-L119 PolarHBondContact O-N 3.26Å; Q117-L119 PolarHBondContact O-N 3.08Å; L119-F121 VanDerWaalsContact C-N 3.27Å; L119-N126 HydrophobicContact CD2-CB 3.91Å; L119-I129 HydrophobicContact CD2-CG2 4.44Å; L119-A130 HydrophobicContact CD1-CB 4.28Å; L119-A130 HydrophobicContact CD2-CB 4.44Å
120H91.1Very high93.4Very high54 Ų5437.7 Ų37.725%0.2522%0.218CC..THydrogen-bonded Turntrans-67.3-29.5170.4-72.585000113.4M15 Q117 M118M15-H120 VanDerWaalsContact CA-CE1 3.44Å; M15-H120 WeakPolarHBondContact CA-CE1 3.44Å; M15-H120 WeakPolarHBondContact CB-CE1 3.28Å; M15-H120 VanDerWaalsContact CE-CA 3.45Å; M15-H120 HydrophobicContact CE-CB 4.08Å; M15-H120 VanDerWaalsContact CE-CD2 3.47Å; M15-H120 WeakPolarHBondContact CE-CD2 3.43Å; M15-H120 PolarHBondContact O-CE1 3.27Å; M15-H120 PolarHBondContact O-NE2 3.16Å; Q117-H120 WeakPolarHBondContact O-CB 3.49Å; Q117-H120 PolarHBondContact O-N 3.45Å; Q117-H120 PolarHBondContact O-ND1 2.86Å; Q117-H120 PolarHBondContact OE1-CE1 3.42Å; Q117-H120 PolarHBondContact OE1-ND1 2.69Å; M118-H120 PolarHBondContact O-N 3.39Å; M118-H120 VanDerWaalsContact O-N 3.11Å
121F91.9Very high93.4Very high11 Ų1140.3 Ų40.35%0.04823%0.234CC..SBendtrans-88.7126.9-178.7-51.8-61.9000108.1L32 L65 C68 K69 Y72 V81 M118 L119 N123 N126L32-F121 HydrophobicContact CD1-CE2 4.07Å; L32-F121 HydrophobicContact CD1-CZ 4.43Å; L65-F121 HydrophobicContact CD1-CE2 3.95Å; L65-F121 HydrophobicContact CD1-CZ 4.1Å; C68-F121 HydrophobicContact CB-CE1 4.36Å; C68-F121 HydrophobicContact CB-CZ 3.93Å; K69-F121 HydrophobicContact CG-CZ 4.07Å; Y72-F121 AromaticContact CD1-CD1 3.83Å; Y72-F121 HydrophobicContact CD1-CD1 3.83Å; Y72-F121 HydrophobicContact CD1-CE1 4.31Å; Y72-F121 AromaticContact CD2-CD1 3.65Å; Y72-F121 HydrophobicContact CD2-CD1 3.65Å; Y72-F121 HydrophobicContact CD2-CE1 4.24Å; Y72-F121 HydrophobicContact CE1-CD1 4.21Å; Y72-F121 HydrophobicContact CE2-CB 4.48Å; Y72-F121 HydrophobicContact CE2-CD1 4.05Å; Y72-F121 AromaticContact CG-CD1 3.53Å; Y72-F121 HydrophobicContact CG-CD1 3.53Å; Y72-F121 AromaticContact CG-CE1 3.85Å; Y72-F121 HydrophobicContact CG-CE1 3.85Å; V81-F121 HydrophobicContact CB-CB 4.44Å; V81-F121 HydrophobicContact CB-CD1 4.26Å; V81-F121 HydrophobicContact CB-CD2 4.19Å; V81-F121 HydrophobicContact CB-CG 4.02Å; V81-F121 HydrophobicContact CG1-CD2 3.95Å; V81-F121 HydrophobicContact CG1-CE2 4.13Å; V81-F121 HydrophobicContact CG1-CG 4.3Å; V81-F121 HydrophobicContact CG2-CD1 3.63Å; V81-F121 HydrophobicContact CG2-CD2 4.2Å; V81-F121 HydrophobicContact CG2-CE1 3.67Å; V81-F121 HydrophobicContact CG2-CE2 4.23Å; V81-F121 HydrophobicContact CG2-CG 3.9Å; V81-F121 HydrophobicContact CG2-CZ 3.98Å; M118-F121 HydrophobicContact CE-CD2 4.27Å; M118-F121 HydrophobicContact CE-CE2 3.82Å; M118-F121 PolarHBondContact O-N 3.19Å; M118-F121 HydrophobicContact SD-CD2 4.24Å; M118-F121 HydrophobicContact SD-CE2 4.33Å; L119-F121 VanDerWaalsContact C-N 3.27Å; F121-N123 PolarHBondContact O-N 3.25Å; F121-N126 PolarHBondContact O-ND2 3.07Å
122D88.6Confident93.4Very high94 Ų9440.6 Ų40.650%0.50324%0.238SC..  trans-64.5109.4178.1-68.7-29.8000109.2Y72 K74Y72-D122 VanDerWaalsContact OH-CB 3.23Å; Y72-D122 WeakPolarHBondContact OH-CB 3.42Å; Y72-D122 PolarHBondContact OH-N 2.94Å; Y72-D122 PolarHBondContact OH-OD2 3.46Å; K74-D122 WeakPolarHBondContact CD-OD2 3.21Å; K74-D122 WeakPolarHBondContact CE-OD1 3.33Å; K74-D122 WeakPolarHBondContact CE-OD2 3.41Å; K74-D122 WeakPolarHBondContact CG-OD2 3.44Å; K74-D122 IonicContact NZ-OD1 3.64Å; K74-D122 PolarHBondContact NZ-OD1 3.37Å; K74-D122 IonicContact NZ-OD2 3.18Å; K74-D122 PolarHBondContact NZ-OD2 3.31Å
123N89.8Confident93.5Very high40 Ų4040.5 Ų40.521%0.21424%0.238CC..  trans-138.4134.7175.9-172-51.3000109.2L83 F121 E125 N126L83-N123 WeakPolarHBondContact CD1-ND2 3.22Å; L83-N123 WeakPolarHBondContact CG-ND2 3.44Å; F121-N123 PolarHBondContact O-N 3.25Å; N123-E125 PolarHBondContact O-N 3.07Å; N123-E125 WeakPolarHBondContact OD1-CB 3.47Å; N123-E125 PolarHBondContact OD1-N 3.48Å; N123-N126 WeakPolarHBondContact CB-OD1 3.38Å; N123-N126 PolarHBondContact N-ND2 3.16Å; N123-N126 WeakPolarHBondContact O-CB 3.29Å; N123-N126 PolarHBondContact O-N 3.14Å; N123-N126 VanDerWaalsContact O-N 3.16Å; N123-N126 PolarHBondContact O-ND2 3.07Å
124P91.5Very high93.5Very high121 Ų12143.8 Ų43.879%0.78625%0.249SC*.THydrogen-bonded Turntrans-60.4-23.9178.625.2-35.9000113.9N126 P127P124-N126 VanDerWaalsContact C-N 3.34Å; P124-P127 WeakPolarHBondContact O-CD 3.36Å
125E92.9Very high93.6Very high65 Ų6547.7 Ų47.730%0.30427%0.267SS..THydrogen-bonded Turntrans-860-179.7-58.4179.6-127.400113.3L83 R92 N123 P127 D128 I129L83-E125 HydrophobicContact CD1-CB 4.48Å; R92-E125 IonicContact CZ-OE2 3.66Å; R92-E125 IonicContact NH1-OE2 3.53Å; R92-E125 PolarHBondContact NH1-OE2 3.16Å; R92-E125 IonicContact NH2-OE2 2.9Å; R92-E125 PolarHBondContact NH2-OE2 3.4Å; N123-E125 PolarHBondContact O-N 3.07Å; N123-E125 WeakPolarHBondContact OD1-CB 3.47Å; N123-E125 PolarHBondContact OD1-N 3.48Å; E125-P127 VanDerWaalsContact C-CD 3.46Å; E125-D128 WeakPolarHBondContact O-CB 3.5Å; E125-D128 PolarHBondContact O-N 3.33Å; E125-D128 VanDerWaalsContact O-N 3.07Å; E125-I129 HydrophobicContact CB-CD1 4.38Å; E125-I129 WeakPolarHBondContact O-CG1 3.42Å; E125-I129 PolarHBondContact O-N 2.9Å
126N93.7Very high93.6Very high26 Ų2647.8 Ų47.814%0.13927%0.268CS..Hα-helixtrans-50.8-44.7177.7-78.4-7.7000115.1L119 F121 N123 P124 D128 I129 A130L119-N126 HydrophobicContact CD2-CB 3.91Å; F121-N126 PolarHBondContact O-ND2 3.07Å; N123-N126 WeakPolarHBondContact CB-OD1 3.38Å; N123-N126 PolarHBondContact N-ND2 3.16Å; N123-N126 WeakPolarHBondContact O-CB 3.29Å; N123-N126 PolarHBondContact O-N 3.14Å; N123-N126 VanDerWaalsContact O-N 3.16Å; N123-N126 PolarHBondContact O-ND2 3.07Å; P124-N126 VanDerWaalsContact C-N 3.34Å; N126-D128 VanDerWaalsContact C-N 3.31Å; N126-D128 PolarHBondContact O-N 3.18Å; N126-I129 PolarHBondContact O-N 3.15Å; N126-A130 WeakPolarHBondContact O-CB 3.41Å; N126-A130 PolarHBondContact O-N 3.41Å
127P94.8Very high93.7Very high86 Ų8649.1 Ų49.156%0.55827%0.27SS*.Hα-helixtrans-63.1-37.3176.824.4-34.2000112.5P124 E125 A130 N131P124-P127 WeakPolarHBondContact O-CD 3.36Å; E125-P127 VanDerWaalsContact C-CD 3.46Å; P127-A130 PolarHBondContact O-N 3.19Å; P127-N131 WeakPolarHBondContact O-CB 3.3Å; P127-N131 PolarHBondContact O-N 3.46Å
128D95.1Very high93.8Very high85 Ų8553.4 Ų53.446%0.45529%0.292SS..Hα-helixtrans-70.2-38.2178.5-61.5-45.6000111.5E125 N126 N131 A132E125-D128 WeakPolarHBondContact O-CB 3.5Å; E125-D128 PolarHBondContact O-N 3.33Å; E125-D128 VanDerWaalsContact O-N 3.07Å; N126-D128 VanDerWaalsContact C-N 3.31Å; N126-D128 PolarHBondContact O-N 3.18Å; D128-N131 PolarHBondContact O-N 3.32Å; D128-A132 VanDerWaalsContact O-CB 3.28Å; D128-A132 WeakPolarHBondContact O-CB 3.14Å; D128-A132 PolarHBondContact O-N 3.13Å
129I94.9Very high93.9Very high2 Ų254.9 Ų54.91%0.0131%0.308CS..Hα-helixtrans-63.1-50.1173.9-65.9165.8000109.9L83 Y87 L119 E125 N126 N131 A132 L133L83-I129 HydrophobicContact CD1-CD1 3.88Å; L83-I129 HydrophobicContact CD2-CD1 3.57Å; L83-I129 HydrophobicContact CG-CD1 4.41Å; Y87-I129 HydrophobicContact CD1-CG2 4.18Å; L119-I129 HydrophobicContact CD2-CG2 4.44Å; E125-I129 HydrophobicContact CB-CD1 4.38Å; E125-I129 WeakPolarHBondContact O-CG1 3.42Å; E125-I129 PolarHBondContact O-N 2.9Å; N126-I129 PolarHBondContact O-N 3.15Å; I129-N131 VanDerWaalsContact C-N 3.3Å; I129-N131 PolarHBondContact O-N 3.33Å; I129-A132 PolarHBondContact O-N 2.84Å; I129-A132 VanDerWaalsContact O-N 3.16Å; I129-L133 HydrophobicContact CG2-CD1 4.15Å; I129-L133 HydrophobicContact CG2-CG 4.39Å; I129-L133 VanDerWaalsContact O-CG 3.3Å; I129-L133 WeakPolarHBondContact O-CG 3.17Å; I129-L133 PolarHBondContact O-N 2.73Å
130A94.6Very high94Very high40 Ų4053.4 Ų53.433%0.33130%0.299SS..Hα-helixtrans-58.7-42.7179.100000111.9L119 N126 P127 L134L119-A130 HydrophobicContact CD1-CB 4.28Å; L119-A130 HydrophobicContact CD2-CB 4.44Å; N126-A130 WeakPolarHBondContact O-CB 3.41Å; N126-A130 PolarHBondContact O-N 3.41Å; P127-A130 PolarHBondContact O-N 3.19Å; A130-L134 PolarHBondContact O-N 3.14Å; A130-L134 VanDerWaalsContact O-N 3.14Å
131N95.3Very high94.1Very high86 Ų8655 Ų5546%0.4631%0.306SS..Hα-helixtrans-65.5-44.4175.5-170.525.8000111.8P127 D128 I129 L133 L134 Q135P127-N131 WeakPolarHBondContact O-CB 3.3Å; P127-N131 PolarHBondContact O-N 3.46Å; D128-N131 PolarHBondContact O-N 3.32Å; I129-N131 VanDerWaalsContact C-N 3.3Å; I129-N131 PolarHBondContact O-N 3.33Å; N131-L133 VanDerWaalsContact C-N 3.34Å; N131-L133 PolarHBondContact O-N 2.69Å; N131-L134 PolarHBondContact O-N 3.48Å; N131-Q135 WeakPolarHBondContact O-CG 3.4Å; N131-Q135 PolarHBondContact O-N 3.16Å; N131-Q135 PolarHBondContact OD1-NE2 3.3Å
132A95.3Very high94.2Very high11 Ų1163.4 Ų63.49%0.09134%0.337CS..Hα-helixtrans-60.1-42.1177.700000112.2R92 D128 I129 T136R92-A132 HydrophobicContact CB-CB 4.49Å; R92-A132 HydrophobicContact CG-CB 4.12Å; D128-A132 VanDerWaalsContact O-CB 3.28Å; D128-A132 WeakPolarHBondContact O-CB 3.14Å; D128-A132 PolarHBondContact O-N 3.13Å; I129-A132 PolarHBondContact O-N 2.84Å; I129-A132 VanDerWaalsContact O-N 3.16Å; A132-T136 WeakPolarHBondContact O-CB 3.35Å; A132-T136 PolarHBondContact O-N 2.78Å; A132-T136 PolarHBondContact O-OG1 3.36Å
133L95.3Very high94.3Very high13 Ų1364.4 Ų64.47%0.06833%0.334CS..Hα-helixtrans-58.7-48.4174.9-69173.2000111.3Y87 Y111 Y112 G115 I129 N131 T136 F137Y87-L133 HydrophobicContact CE1-CD2 4.05Å; Y111-L133 HydrophobicContact CD1-CD2 4.13Å; Y111-L133 HydrophobicContact CE1-CD2 3.56Å; Y111-L133 HydrophobicContact CE2-CD2 4.22Å; Y112-L133 HydrophobicContact CD1-CD2 4.4Å; G115-L133 VanDerWaalsContact C-CD1 3.48Å; I129-L133 HydrophobicContact CG2-CD1 4.15Å; I129-L133 HydrophobicContact CG2-CG 4.39Å; I129-L133 VanDerWaalsContact O-CG 3.3Å; I129-L133 WeakPolarHBondContact O-CG 3.17Å; I129-L133 PolarHBondContact O-N 2.73Å; N131-L133 VanDerWaalsContact C-N 3.34Å; N131-L133 PolarHBondContact O-N 2.69Å; L133-T136 PolarHBondContact O-N 3.11Å; L133-F137 PolarHBondContact O-N 2.93Å
134L95.1Very high94.5Very high94 Ų9463 Ų6349%0.49233%0.327SS..Hα-helixtrans-62.4-50179.9179.161.7000111.8A130 N131 T136 F137 I138A130-L134 PolarHBondContact O-N 3.14Å; A130-L134 VanDerWaalsContact O-N 3.14Å; N131-L134 PolarHBondContact O-N 3.48Å; L134-T136 VanDerWaalsContact C-N 3.33Å; L134-T136 PolarHBondContact O-N 2.92Å; L134-F137 PolarHBondContact O-N 3.36Å; L134-I138 HydrophobicContact CD1-CD1 3.92Å; L134-I138 HydrophobicContact CD1-CG1 4.31Å; L134-I138 HydrophobicContact CG-CD1 3.9Å; L134-I138 WeakPolarHBondContact O-CG1 3.37Å; L134-I138 PolarHBondContact O-N 2.91Å
135Q95.9Very high94.6Very high97 Ų9761.4 Ų61.445%0.45331%0.31SS..Hα-helixtrans-63.7-39.4179.6-64.6-51.2-43.700111.9N131 F137 I138 G139N131-Q135 WeakPolarHBondContact O-CG 3.4Å; N131-Q135 PolarHBondContact O-N 3.16Å; N131-Q135 PolarHBondContact OD1-NE2 3.3Å; Q135-F137 VanDerWaalsContact C-N 3.35Å; Q135-F137 PolarHBondContact O-N 3.07Å; Q135-I138 PolarHBondContact O-N 2.7Å; Q135-G139 PolarHBondContact O-N 3.43Å
136T95.7Very high94.6Very high1 Ų161.7 Ų61.71%0.00631%0.314CS..Hα-helixtrans-61.4-44.6176-59.60000111F95 P99 Y111 Y112 A132 L133 L134 R140F95-T136 WeakPolarHBondContact CB-OG1 3.46Å; F95-T136 HydrophobicContact CD1-CG2 3.78Å; F95-T136 HydrophobicContact CE1-CG2 4.17Å; F95-T136 HydrophobicContact CG-CG2 4.45Å; P99-T136 HydrophobicContact CB-CG2 3.83Å; Y111-T136 HydrophobicContact CE1-CG2 3.87Å; Y112-T136 HydrophobicContact CE1-CG2 4.22Å; A132-T136 WeakPolarHBondContact O-CB 3.35Å; A132-T136 PolarHBondContact O-N 2.78Å; A132-T136 PolarHBondContact O-OG1 3.36Å; L133-T136 PolarHBondContact O-N 3.11Å; L134-T136 VanDerWaalsContact C-N 3.33Å; L134-T136 PolarHBondContact O-N 2.92Å; T136-R140 WeakPolarHBondContact O-CB 3.3Å; T136-R140 VanDerWaalsContact O-CG 3.32Å; T136-R140 WeakPolarHBondContact O-CG 3.38Å; T136-R140 PolarHBondContact O-N 3.47Å
137F95.4Very high94.5Very high57 Ų5762 Ų6225%0.2532%0.318CS..Hα-helixtrans-62.6-50176.3-178.9-103.2000111.5Y112 L133 L134 Q135 G139 R140 F141 L166 L170Y112-F137 HydrophobicContact CD1-CB 4.41Å; Y112-F137 HydrophobicContact CE1-CB 3.76Å; Y112-F137 HydrophobicContact CE1-CD2 4.36Å; Y112-F137 HydrophobicContact CE2-CD2 4.44Å; L133-F137 PolarHBondContact O-N 2.93Å; L134-F137 PolarHBondContact O-N 3.36Å; Q135-F137 VanDerWaalsContact C-N 3.35Å; Q135-F137 PolarHBondContact O-N 3.07Å; F137-G139 VanDerWaalsContact C-N 3.34Å; F137-G139 PolarHBondContact O-N 2.71Å; F137-R140 PolarHBondContact O-N 3.45Å; F137-F141 HydrophobicContact CE1-CD2 4.13Å; F137-F141 AromaticContact CZ-CD2 3.86Å; F137-F141 HydrophobicContact CZ-CD2 3.86Å; F137-F141 HydrophobicContact CZ-CE2 4.41Å; F137-F141 VanDerWaalsContact O-CB 3.29Å; F137-F141 WeakPolarHBondContact O-CB 3.27Å; F137-F141 PolarHBondContact O-N 3.18Å; F137-L166 HydrophobicContact CD2-CD2 4.18Å; F137-L166 HydrophobicContact CE2-CD2 3.47Å; F137-L166 VanDerWaalsContact CE2-CD2 3.47Å; F137-L166 HydrophobicContact CZ-CD2 4.26Å; F137-L170 HydrophobicContact CE2-CD1 3.86Å; F137-L170 HydrophobicContact CZ-CD1 3.86Å
138I95.6Very high94.5Very high94 Ų9458.1 Ų58.148%0.48229%0.292SS..Hα-helixtrans-57.5-46.5178.6-68.8169.4000111.1L134 Q135 R140 F141L134-I138 HydrophobicContact CD1-CD1 3.92Å; L134-I138 HydrophobicContact CD1-CG1 4.31Å; L134-I138 HydrophobicContact CG-CD1 3.9Å; L134-I138 WeakPolarHBondContact O-CG1 3.37Å; L134-I138 PolarHBondContact O-N 2.91Å; Q135-I138 PolarHBondContact O-N 2.7Å; I138-R140 VanDerWaalsContact C-N 3.28Å; I138-R140 PolarHBondContact O-N 2.88Å; I138-F141 PolarHBondContact O-N 3.13Å
139G95.4Very high94.3Very high34 Ų3457.6 Ų57.635%0.35129%0.287SS..Hα-helixtrans-65.3-28.2-178.100000114.2N100 Q135 F137N100-G139 PolarHBondContact ND2-O 2.98Å; Q135-G139 PolarHBondContact O-N 3.43Å; F137-G139 VanDerWaalsContact C-N 3.34Å; F137-G139 PolarHBondContact O-N 2.71Å
140R95.7Very high94Very high10 Ų1063.3 Ų63.34%0.03832%0.318CS..Hα-helixtrans-95.7-20179.5-66174.760.796.9-3.4113.5P99 V102 T136 F137 I138 R142 R143 T144 R162 E167P99-R140 HydrophobicContact CB-CG 3.8Å; P99-R140 HydrophobicContact CG-CG 4.01Å; P99-R140 WeakPolarHBondContact O-CD 3.11Å; P99-R140 PolarHBondContact O-NH1 3.5Å; V102-R140 PolarHBondContact O-NH1 3.02Å; T136-R140 WeakPolarHBondContact O-CB 3.3Å; T136-R140 VanDerWaalsContact O-CG 3.32Å; T136-R140 WeakPolarHBondContact O-CG 3.38Å; T136-R140 PolarHBondContact O-N 3.47Å; F137-R140 PolarHBondContact O-N 3.45Å; I138-R140 VanDerWaalsContact C-N 3.28Å; I138-R140 PolarHBondContact O-N 2.88Å; R140-R142 PolarHBondContact O-N 3.28Å; R140-R143 PolarHBondContact O-N 3.21Å; R140-T144 PolarHBondContact O-N 3.47Å; R140-T144 PolarHBondContact O-OG1 2.88Å; R140-R162 PolarHBondContact NH2-O 3.22Å; R140-E167 WeakPolarHBondContact CB-OE1 3.35Å; R140-E167 WeakPolarHBondContact CD-OE1 3.46Å; R140-E167 IonicContact CZ-OE1 3.65Å; R140-E167 IonicContact CZ-OE2 3.58Å; R140-E167 IonicContact NE-OE1 2.7Å; R140-E167 PolarHBondContact NE-OE1 3.12Å; R140-E167 IonicContact NE-OE2 2.72Å; R140-E167 IonicContact NH2-OE1 2.73Å; R140-E167 IonicContact NH2-OE2 3.54Å; R140-E167 PolarHBondContact NH2-OE2 3.21Å
141F94.5Very high93.7Very high88 Ų8861.9 Ų61.939%0.38631%0.306SS..Hα-helixtrans-56.9-50.1-175.1179.2-109.2000112.5F137 I138 R143 T144 M145F137-F141 HydrophobicContact CE1-CD2 4.13Å; F137-F141 AromaticContact CZ-CD2 3.86Å; F137-F141 HydrophobicContact CZ-CD2 3.86Å; F137-F141 HydrophobicContact CZ-CE2 4.41Å; F137-F141 VanDerWaalsContact O-CB 3.29Å; F137-F141 WeakPolarHBondContact O-CB 3.27Å; F137-F141 PolarHBondContact O-N 3.18Å; I138-F141 PolarHBondContact O-N 3.13Å; F141-R143 PolarHBondContact O-N 3.27Å; F141-T144 PolarHBondContact O-N 3.2Å; F141-M145 HydrophobicContact CD1-CE 4.19Å; F141-M145 HydrophobicContact CE1-CE 3.22Å; F141-M145 HydrophobicContact CE2-CE 4.06Å; F141-M145 HydrophobicContact CZ-CE 3.14Å; F141-M145 WeakPolarHBondContact O-CB 3.35Å; F141-M145 PolarHBondContact O-N 3.36Å
142R92.6Very high93.2Very high188 Ų18861.1 Ų61.171%0.70930%0.297SS*.Hα-helixtrans-58-50.3-179.6-179.7175.6179165.71.6111.8R140 T144 M145 D146R140-R142 PolarHBondContact O-N 3.28Å; R142-T144 VanDerWaalsContact C-N 3.32Å; R142-T144 PolarHBondContact O-N 3.37Å; R142-M145 PolarHBondContact O-N 3.46Å; R142-D146 WeakPolarHBondContact CG-OD2 3.32Å; R142-D146 IonicContact NE-OD2 3.57Å; R142-D146 WeakPolarHBondContact O-CB 3.43Å; R142-D146 VanDerWaalsContact O-CG 3.28Å; R142-D146 PolarHBondContact O-N 3.01Å
143R92Very high92.7Very high115 Ų11567 Ų6743%0.43433%0.327SS..Hα-helixtrans-60.7-42.8-180-176.3177.4-179.6169.72.1111.6N100 R140 F141 S147N100-R143 WeakPolarHBondContact OD1-CD 3.38Å; R140-R143 PolarHBondContact O-N 3.21Å; F141-R143 PolarHBondContact O-N 3.27Å; R143-S147 VanDerWaalsContact O-CB 3.25Å; R143-S147 WeakPolarHBondContact O-CB 3.49Å; R143-S147 PolarHBondContact O-N 3.37Å; R143-S147 PolarHBondContact O-OG 2.82Å
144T93.8Very high92.3Very high10 Ų1072.7 Ų72.76%0.06135%0.353CS..Hα-helixtrans-64-45.5178.8-57.10000111.2R140 F141 R142 S148 L163 F171R140-T144 PolarHBondContact O-N 3.47Å; R140-T144 PolarHBondContact O-OG1 2.88Å; F141-T144 PolarHBondContact O-N 3.2Å; R142-T144 VanDerWaalsContact C-N 3.32Å; R142-T144 PolarHBondContact O-N 3.37Å; T144-S148 WeakPolarHBondContact O-CB 3.4Å; T144-S148 PolarHBondContact O-N 3.3Å; T144-L163 HydrophobicContact CG2-CD1 4.37Å; T144-F171 HydrophobicContact CG2-CB 4.21Å; T144-F171 HydrophobicContact CG2-CD2 4.29Å
145M93.1Very high92Very high88 Ų8874.6 Ų74.643%0.43336%0.364SS..Hα-helixtrans-62.7-54.4177-176.2-169.8-6700111.5F141 R142 S147 S148 Q149F141-M145 HydrophobicContact CD1-CE 4.19Å; F141-M145 HydrophobicContact CE1-CE 3.22Å; F141-M145 HydrophobicContact CE2-CE 4.06Å; F141-M145 HydrophobicContact CZ-CE 3.14Å; F141-M145 WeakPolarHBondContact O-CB 3.35Å; F141-M145 PolarHBondContact O-N 3.36Å; R142-M145 PolarHBondContact O-N 3.46Å; M145-S147 VanDerWaalsContact C-N 3.29Å; M145-S147 PolarHBondContact O-N 3.42Å; M145-S148 PolarHBondContact O-N 3.02Å; M145-S148 PolarHBondContact O-OG 3.22Å; M145-Q149 PolarHBondContact O-N 2.97Å; M145-Q149 VanDerWaalsContact O-N 3.11Å
146D92.6Very high91.8Very high71 Ų7171.9 Ų71.938%0.3835%0.354SS..Hα-helixtrans-56.7-45.6-178.5-71.9-17.1000110.3R142 S148 Q149 N150R142-D146 WeakPolarHBondContact CG-OD2 3.32Å; R142-D146 IonicContact NE-OD2 3.57Å; R142-D146 WeakPolarHBondContact O-CB 3.43Å; R142-D146 VanDerWaalsContact O-CG 3.28Å; R142-D146 PolarHBondContact O-N 3.01Å; D146-S148 VanDerWaalsContact C-N 3.33Å; D146-S148 PolarHBondContact O-N 2.9Å; D146-Q149 PolarHBondContact O-N 2.96Å; D146-N150 WeakPolarHBondContact O-CB 3.44Å; D146-N150 PolarHBondContact O-N 2.89Å; D146-N150 VanDerWaalsContact O-N 3.11Å; D146-N150 PolarHBondContact O-ND2 3.44Å
147S92.2Very high91.5Very high32 Ų3274.9 Ų74.922%0.22438%0.375CS..Hα-helixtrans-66.8-33.9178.9-52.30000112.5R143 M145 A151R143-S147 VanDerWaalsContact O-CB 3.25Å; R143-S147 WeakPolarHBondContact O-CB 3.49Å; R143-S147 PolarHBondContact O-N 3.37Å; R143-S147 PolarHBondContact O-OG 2.82Å; M145-S147 VanDerWaalsContact C-N 3.29Å; M145-S147 PolarHBondContact O-N 3.42Å; S147-A151 VanDerWaalsContact O-CB 3.24Å; S147-A151 WeakPolarHBondContact O-CB 3.5Å; S147-A151 PolarHBondContact O-N 3.05Å
148S93.4Very high91.3Very high4 Ų477.6 Ų77.63%0.02840%0.396CS..Hα-helixtrans-70.8-29.2178.876.80000113.6T144 M145 D146 Q175T144-S148 WeakPolarHBondContact O-CB 3.4Å; T144-S148 PolarHBondContact O-N 3.3Å; M145-S148 PolarHBondContact O-N 3.02Å; M145-S148 PolarHBondContact O-OG 3.22Å; D146-S148 VanDerWaalsContact C-N 3.33Å; D146-S148 PolarHBondContact O-N 2.9Å; S148-Q175 VanDerWaalsContact O-CD 3.32Å; S148-Q175 PolarHBondContact O-NE2 3.03Å; S148-Q175 VanDerWaalsContact O-NE2 3.1Å
149Q90.9Very high91Very high74 Ų7475.1 Ų75.135%0.34638%0.384SS..Hα-helixtrans-93.9-18.1-177.6-65.4-53.1-70.100113.4M145 D146 G174 L178M145-Q149 PolarHBondContact O-N 2.97Å; M145-Q149 VanDerWaalsContact O-N 3.11Å; D146-Q149 PolarHBondContact O-N 2.96Å; Q149-G174 PolarHBondContact NE2-O 3.5Å; Q149-L178 WeakPolarHBondContact O-CD1 3.5Å; Q149-L178 VanDerWaalsContact O-CD2 3.29Å; Q149-L178 WeakPolarHBondContact O-CD2 3.3Å
150N90.3Very high90.8Very high123 Ų12375.4 Ų75.466%0.65838%0.379SS*.Hα-helixtrans-109.5-5.7-175.6-66.4-71.9000114.2D146 Y152D146-N150 WeakPolarHBondContact O-CB 3.44Å; D146-N150 PolarHBondContact O-N 2.89Å; D146-N150 VanDerWaalsContact O-N 3.11Å; D146-N150 PolarHBondContact O-ND2 3.44Å; N150-Y152 PolarHBondContact O-N 2.95Å
151A87.6Confident90.6Very high9 Ų976.5 Ų76.57%0.07439%0.393CS..  trans-98.277.2178.500000111.3S147 E154 T156 Q175S147-A151 VanDerWaalsContact O-CB 3.24Å; S147-A151 WeakPolarHBondContact O-CB 3.5Å; S147-A151 PolarHBondContact O-N 3.05Å; A151-E154 HydrophobicContact CB-CB 4.3Å; A151-T156 HydrophobicContact CB-CG2 3.76Å; A151-Q175 PolarHBondContact O-NE2 3.21Å; A151-Q175 PolarHBondContact O-OE1 2.95Å
152Y85.3Confident90.6Very high70 Ų7076.1 Ų76.128%0.27539%0.389SS..SBendtrans-91.8123.5176.3-175.6-111.1000111.1N150 E154 L178 N179 Q182 K186N150-Y152 PolarHBondContact O-N 2.95Å; Y152-E154 PolarHBondContact O-N 3.5Å; Y152-L178 HydrophobicContact CD2-CD2 4.36Å; Y152-L178 HydrophobicContact CD2-CG 4.31Å; Y152-N179 WeakPolarHBondContact CD2-OD1 3.32Å; Y152-N179 VanDerWaalsContact CE2-OD1 3.29Å; Y152-N179 WeakPolarHBondContact CE2-OD1 3.21Å; Y152-Q182 HydrophobicContact CD2-CB 4.44Å; Y152-Q182 HydrophobicContact CD2-CG 3.98Å; Y152-Q182 HydrophobicContact CE2-CB 3.72Å; Y152-Q182 HydrophobicContact CE2-CG 3.75Å; Y152-K186 PolarHBondContact OH-NZ 3.47Å
153N83.8Confident90.7Very high135 Ų13567.4 Ų67.472%0.72236%0.356SS*.SBendtrans56.221.7-175.8-65.2-25.9000115.1
154E88Confident90.9Very high133 Ų13362.1 Ų62.162%0.62134%0.336SS*.SBendtrans-95.7157175-64.6-172.9171.600111.5A151 Y152 T156A151-E154 HydrophobicContact CB-CB 4.3Å; Y152-E154 PolarHBondContact O-N 3.5Å; E154-T156 PolarHBondContact O-N 3.03Å
155D88.9Confident90.8Very high133 Ų13362.7 Ų62.771%0.71134%0.341SS*.  trans-76.5101.4171.6-178.38.2000110.6S157D155-S157 VanDerWaalsContact C-N 3.35Å; D155-S157 VanDerWaalsContact CG-OG 3.29Å; D155-S157 WeakPolarHBondContact OD1-CB 3.08Å; D155-S157 PolarHBondContact OD1-N 3.12Å; D155-S157 PolarHBondContact OD1-OG 3.17Å; D155-S157 PolarHBondContact OD2-OG 2.67Å
156T90.7Very high90.7Very high40 Ų4062.2 Ų62.225%0.24534%0.339CS..  trans-88.83.6179.663.50000113.6A151 E154 V158 L159 V160 F171A151-T156 HydrophobicContact CB-CG2 3.76Å; E154-T156 PolarHBondContact O-N 3.03Å; T156-V158 PolarHBondContact O-N 3Å; T156-L159 PolarHBondContact O-N 3.27Å; T156-V160 WeakPolarHBondContact O-CG2 3.45Å; T156-V160 PolarHBondContact O-N 2.99Å; T156-F171 HydrophobicContact CG2-CE1 4.18Å; T156-F171 HydrophobicContact CG2-CZ 3.83Å
157S90.6Very high90.8Very high64 Ų6459 Ų5945%0.44832%0.322SS..Hα-helixtrans-58.4-44-170.760.80000113.5D155 L159 V160 G161D155-S157 VanDerWaalsContact C-N 3.35Å; D155-S157 VanDerWaalsContact CG-OG 3.29Å; D155-S157 WeakPolarHBondContact OD1-CB 3.08Å; D155-S157 PolarHBondContact OD1-N 3.12Å; D155-S157 PolarHBondContact OD1-OG 3.17Å; D155-S157 PolarHBondContact OD2-OG 2.67Å; S157-L159 VanDerWaalsContact C-N 3.34Å; S157-L159 PolarHBondContact O-N 3.02Å; S157-V160 PolarHBondContact O-N 3.15Å; S157-G161 PolarHBondContact O-N 3.37Å
158V89.8Confident90.9Very high114 Ų11458.9 Ų58.969%0.69132%0.318SS*.Hα-helixtrans-63.4-40.6179.4177.20000111.6T156T156-V158 PolarHBondContact O-N 3Å
159L88.9Confident90.8Very high43 Ų4362.2 Ų62.223%0.22534%0.338CS..Hα-helixtrans-67.6-53.2178.3177.266.8000110.4T156 S157 G161 R162 F171T156-L159 PolarHBondContact O-N 3.27Å; S157-L159 VanDerWaalsContact C-N 3.34Å; S157-L159 PolarHBondContact O-N 3.02Å; L159-G161 PolarHBondContact O-N 3.44Å; L159-R162 PolarHBondContact O-N 3.45Å; L159-R162 VanDerWaalsContact O-N 3.13Å; L159-F171 HydrophobicContact CD2-CD2 4.31Å; L159-F171 HydrophobicContact CD2-CE2 3.47Å; L159-F171 VanDerWaalsContact CD2-CE2 3.47Å; L159-F171 HydrophobicContact CD2-CZ 3.94Å; L159-F171 HydrophobicContact CG-CE2 4.47Å
160V91.8Very high90.8Very high40 Ų4062.1 Ų62.124%0.24234%0.339CS..Hα-helixtrans-61.4-33.2-178.3173.90000111.4T156 S157 R162 L163 K168 F171T156-V160 WeakPolarHBondContact O-CG2 3.45Å; T156-V160 PolarHBondContact O-N 2.99Å; S157-V160 PolarHBondContact O-N 3.15Å; V160-R162 PolarHBondContact O-N 3.48Å; V160-R162 VanDerWaalsContact O-N 3.12Å; V160-L163 PolarHBondContact O-N 2.94Å; V160-K168 HydrophobicContact CG1-CD 4.38Å; V160-K168 HydrophobicContact CG1-CG 4.11Å; V160-K168 WeakPolarHBondContact O-CE 3.43Å; V160-F171 HydrophobicContact CG2-CD1 3.65Å; V160-F171 HydrophobicContact CG2-CE1 3.54Å; V160-F171 HydrophobicContact CG2-CG 4.37Å; V160-F171 HydrophobicContact CG2-CZ 4.19Å
161G92.6Very high91.1Very high32 Ų3256.5 Ų56.533%0.3331%0.309SS..THydrogen-bonded Turntrans-60.8-18.1177.700000114.8H105 S157 L159H105-G161 WeakPolarHBondContact CB-O 3.35Å; H105-G161 PolarHBondContact CD2-O 3.44Å; H105-G161 VanDerWaalsContact CD2-O 3.31Å; S157-G161 PolarHBondContact O-N 3.37Å; L159-G161 PolarHBondContact O-N 3.44Å
162R94.6Very high91.3Very high81 Ų8162.8 Ų62.831%0.30633%0.331SS..THydrogen-bonded Turntrans-103.2-4.9-178.9-60.717963.6-177.2-0.2114.3V101 D103 L104 R140 L159 V160V101-R162 VanDerWaalsContact C-NH2 3.29Å; V101-R162 PolarHBondContact O-NH2 3.14Å; D103-R162 WeakPolarHBondContact OD1-CA 3.34Å; L104-R162 PolarHBondContact N-O 2.89Å; R140-R162 PolarHBondContact NH2-O 3.22Å; L159-R162 PolarHBondContact O-N 3.45Å; L159-R162 VanDerWaalsContact O-N 3.13Å; V160-R162 PolarHBondContact O-N 3.48Å; V160-R162 VanDerWaalsContact O-N 3.12Å
163L94.9Very high91.6Very high5 Ų562.8 Ų62.83%0.02634%0.341CS..SBendtrans-86.4148.7-175.1-63.2-176.6000111.5T144 V160 E167 K168 F171T144-L163 HydrophobicContact CG2-CD1 4.37Å; V160-L163 PolarHBondContact O-N 2.94Å; L163-E167 WeakPolarHBondContact CA-OE2 3.36Å; L163-E167 HydrophobicContact CB-CB 3.88Å; L163-E167 HydrophobicContact CD1-CB 4.36Å; L163-E167 HydrophobicContact CD2-CB 4.2Å; L163-E167 WeakPolarHBondContact CD2-OE2 3.44Å; L163-E167 HydrophobicContact CG-CB 4.35Å; L163-K168 HydrophobicContact CB-CG 3.74Å; L163-K168 WeakPolarHBondContact O-CE 3.48Å; L163-K168 PolarHBondContact O-NZ 3.29Å; L163-F171 HydrophobicContact CD1-CB 4.03Å; L163-F171 HydrophobicContact CD1-CD2 4.25Å; L163-F171 HydrophobicContact CD1-CG 4.18Å
164D94.9Very high92.1Very high3 Ų356.8 Ų56.82%0.01631%0.311CS..  trans-66.2158.6165.5-179.589.2000111.5L104 Y110 Y111 Y112 L166 E167 K168L104-D164 HydrophobicContact CB-CB 4.34Å; L104-D164 HydrophobicContact CD1-CB 4.04Å; Y110-D164 VanDerWaalsContact C-OD1 3.26Å; Y110-D164 VanDerWaalsContact CA-OD1 3.29Å; Y110-D164 WeakPolarHBondContact CA-OD1 3.25Å; Y111-D164 PolarHBondContact N-OD1 3.5Å; Y112-D164 HydrophobicContact CD2-CB 3.82Å; Y112-D164 VanDerWaalsContact CD2-CG 3.44Å; Y112-D164 WeakPolarHBondContact CD2-OD2 3.28Å; Y112-D164 HydrophobicContact CE2-CB 3.69Å; D164-L166 VanDerWaalsContact C-N 3.3Å; D164-L166 PolarHBondContact O-N 3.41Å; D164-L166 VanDerWaalsContact OD2-CB 3.29Å; D164-L166 WeakPolarHBondContact OD2-CB 3.47Å; D164-L166 PolarHBondContact OD2-N 2.68Å; D164-E167 HydrophobicContact CB-CB 4.38Å; D164-E167 HydrophobicContact CB-CG 4.17Å; D164-E167 PolarHBondContact N-OE2 2.77Å; D164-E167 PolarHBondContact O-N 2.91Å; D164-E167 VanDerWaalsContact O-N 3.15Å; D164-K168 VanDerWaalsContact O-CG 3.28Å; D164-K168 WeakPolarHBondContact O-CG 3.36Å; D164-K168 PolarHBondContact O-N 2.87Å
165C91.9Very high92.3Very high23 Ų2351.5 Ų51.516%0.15529%0.286CS..Hα-helixtrans-53-42.7175.3-77.30000113.4P109 Y110 K168 V169P109-C165 WeakPolarHBondContact O-CB 3.12Å; P109-C165 PolarHBondContact O-N 3.45Å; P109-C165 PolarHBondContact O-SG 3.17Å; Y110-C165 HydrophobicContact CD1-CB 3.85Å; Y110-C165 HydrophobicContact CE1-CB 3.76Å; Y110-C165 VanDerWaalsContact CE1-SG 3.51Å; C165-K168 WeakPolarHBondContact O-CB 3.28Å; C165-K168 PolarHBondContact O-N 3.23Å; C165-V169 WeakPolarHBondContact O-CG2 3.43Å; C165-V169 PolarHBondContact O-N 3.21Å
166L91.5Very high92.4Very high77 Ų7750.7 Ų50.740%0.40328%0.282SS..Hα-helixtrans-63.4-46176.4-174.7158.4000110.8Y112 F137 D164 K168 V169 L170Y112-L166 HydrophobicContact CD2-CB 4.36Å; F137-L166 HydrophobicContact CD2-CD2 4.18Å; F137-L166 HydrophobicContact CE2-CD2 3.47Å; F137-L166 VanDerWaalsContact CE2-CD2 3.47Å; F137-L166 HydrophobicContact CZ-CD2 4.26Å; D164-L166 VanDerWaalsContact C-N 3.3Å; D164-L166 PolarHBondContact O-N 3.41Å; D164-L166 VanDerWaalsContact OD2-CB 3.29Å; D164-L166 WeakPolarHBondContact OD2-CB 3.47Å; D164-L166 PolarHBondContact OD2-N 2.68Å; L166-K168 VanDerWaalsContact C-N 3.32Å; L166-K168 PolarHBondContact O-N 2.96Å; L166-V169 PolarHBondContact O-N 3.45Å; L166-L170 HydrophobicContact CD2-CD1 3.76Å; L166-L170 HydrophobicContact CD2-CG 4.36Å; L166-L170 PolarHBondContact O-N 2.93Å; L166-L170 VanDerWaalsContact O-N 3.12Å
167E94.4Very high92.5Very high3 Ų352.1 Ų52.11%0.01429%0.293CS..Hα-helixtrans-62.8-38.2176.9-68.4-179.8144.700111.9Y112 R140 L163 D164 V169 L170 F171Y112-E167 HydrophobicContact CE2-CG 3.9Å; Y112-E167 PolarHBondContact OH-OE1 2.98Å; R140-E167 WeakPolarHBondContact CB-OE1 3.35Å; R140-E167 WeakPolarHBondContact CD-OE1 3.46Å; R140-E167 IonicContact CZ-OE1 3.65Å; R140-E167 IonicContact CZ-OE2 3.58Å; R140-E167 IonicContact NE-OE1 2.7Å; R140-E167 PolarHBondContact NE-OE1 3.12Å; R140-E167 IonicContact NE-OE2 2.72Å; R140-E167 IonicContact NH2-OE1 2.73Å; R140-E167 IonicContact NH2-OE2 3.54Å; R140-E167 PolarHBondContact NH2-OE2 3.21Å; L163-E167 WeakPolarHBondContact CA-OE2 3.36Å; L163-E167 HydrophobicContact CB-CB 3.88Å; L163-E167 HydrophobicContact CD1-CB 4.36Å; L163-E167 HydrophobicContact CD2-CB 4.2Å; L163-E167 WeakPolarHBondContact CD2-OE2 3.44Å; L163-E167 HydrophobicContact CG-CB 4.35Å; D164-E167 HydrophobicContact CB-CB 4.38Å; D164-E167 HydrophobicContact CB-CG 4.17Å; D164-E167 PolarHBondContact N-OE2 2.77Å; D164-E167 PolarHBondContact O-N 2.91Å; D164-E167 VanDerWaalsContact O-N 3.15Å; E167-V169 VanDerWaalsContact C-N 3.32Å; E167-V169 PolarHBondContact O-N 3.35Å; E167-L170 PolarHBondContact O-N 2.97Å; E167-F171 VanDerWaalsContact O-CB 3.32Å; E167-F171 WeakPolarHBondContact O-CB 3.41Å; E167-F171 PolarHBondContact O-N 3.35Å
168K93.5Very high92.6Very high31 Ų3150 Ų5014%0.13528%0.277CS..Hα-helixtrans-63.7-35.8175-71.71731761630112.2H105 V160 L163 D164 C165 L166 R172H105-K168 PolarHBondContact CE1-NZ 3.35Å; H105-K168 PolarHBondContact ND1-NZ 3.24Å; V160-K168 HydrophobicContact CG1-CD 4.38Å; V160-K168 HydrophobicContact CG1-CG 4.11Å; V160-K168 WeakPolarHBondContact O-CE 3.43Å; L163-K168 HydrophobicContact CB-CG 3.74Å; L163-K168 WeakPolarHBondContact O-CE 3.48Å; L163-K168 PolarHBondContact O-NZ 3.29Å; D164-K168 VanDerWaalsContact O-CG 3.28Å; D164-K168 WeakPolarHBondContact O-CG 3.36Å; D164-K168 PolarHBondContact O-N 2.87Å; C165-K168 WeakPolarHBondContact O-CB 3.28Å; C165-K168 PolarHBondContact O-N 3.23Å; L166-K168 VanDerWaalsContact C-N 3.32Å; L166-K168 PolarHBondContact O-N 2.96Å; K168-R172 WeakPolarHBondContact O-CB 3.44Å; K168-R172 VanDerWaalsContact O-CG 3.27Å; K168-R172 WeakPolarHBondContact O-CG 3.47Å; K168-R172 PolarHBondContact O-N 3.41Å; K168-R172 PolarHBondContact O-NE 3.28Å; K168-R172 VanDerWaalsContact O-NE 3.14Å
169V91.5Very high92.7Very high74 Ų7447.8 Ų47.845%0.44826%0.261SS..Hα-helixtrans-65.7-47.2174.5172.20000110.3C165 L166 E167 F171 R172 S173C165-V169 WeakPolarHBondContact O-CG2 3.43Å; C165-V169 PolarHBondContact O-N 3.21Å; L166-V169 PolarHBondContact O-N 3.45Å; E167-V169 VanDerWaalsContact C-N 3.32Å; E167-V169 PolarHBondContact O-N 3.35Å; V169-F171 PolarHBondContact O-N 2.92Å; V169-R172 PolarHBondContact O-N 3.47Å; V169-S173 PolarHBondContact O-N 2.76Å
170L92.2Very high92.8Very high71 Ų7148 Ų4837%0.37227%0.273SS..Hα-helixtrans-60.7-46.3176.2-68.6174.8000111.9F137 L166 E167 R172 S173 G174F137-L170 HydrophobicContact CE2-CD1 3.86Å; F137-L170 HydrophobicContact CZ-CD1 3.86Å; L166-L170 HydrophobicContact CD2-CD1 3.76Å; L166-L170 HydrophobicContact CD2-CG 4.36Å; L166-L170 PolarHBondContact O-N 2.93Å; L166-L170 VanDerWaalsContact O-N 3.12Å; E167-L170 PolarHBondContact O-N 2.97Å; L170-R172 PolarHBondContact O-N 3.42Å; L170-S173 WeakPolarHBondContact O-CB 3.3Å; L170-S173 PolarHBondContact O-N 2.72Å; L170-G174 PolarHBondContact O-N 2.95Å
171F94.8Very high92.8Very high5 Ų551.3 Ų51.32%0.02229%0.285CS..Hα-helixtrans-59.7-45.2178.5-172.4-89.1000111.8T144 T156 L159 V160 L163 E167 V169 G174 Q175T144-F171 HydrophobicContact CG2-CB 4.21Å; T144-F171 HydrophobicContact CG2-CD2 4.29Å; T156-F171 HydrophobicContact CG2-CE1 4.18Å; T156-F171 HydrophobicContact CG2-CZ 3.83Å; L159-F171 HydrophobicContact CD2-CD2 4.31Å; L159-F171 HydrophobicContact CD2-CE2 3.47Å; L159-F171 VanDerWaalsContact CD2-CE2 3.47Å; L159-F171 HydrophobicContact CD2-CZ 3.94Å; L159-F171 HydrophobicContact CG-CE2 4.47Å; V160-F171 HydrophobicContact CG2-CD1 3.65Å; V160-F171 HydrophobicContact CG2-CE1 3.54Å; V160-F171 HydrophobicContact CG2-CG 4.37Å; V160-F171 HydrophobicContact CG2-CZ 4.19Å; L163-F171 HydrophobicContact CD1-CB 4.03Å; L163-F171 HydrophobicContact CD1-CD2 4.25Å; L163-F171 HydrophobicContact CD1-CG 4.18Å; E167-F171 VanDerWaalsContact O-CB 3.32Å; E167-F171 WeakPolarHBondContact O-CB 3.41Å; E167-F171 PolarHBondContact O-N 3.35Å; V169-F171 PolarHBondContact O-N 2.92Å; F171-G174 PolarHBondContact O-N 2.88Å; F171-Q175 HydrophobicContact CD1-CG 4Å; F171-Q175 HydrophobicContact CE1-CG 3.59Å; F171-Q175 HydrophobicContact CZ-CG 4.09Å; F171-Q175 WeakPolarHBondContact O-CG 3.29Å; F171-Q175 PolarHBondContact O-N 3.19Å
172R92.3Very high92.7Very high142 Ų14251.7 Ų51.754%0.53628%0.278SS..Hα-helixtrans-63.1-41.1175.9-77.7-178.9-72.6-160.22.6112.3K168 V169 L170 G174 Q175 N176K168-R172 WeakPolarHBondContact O-CB 3.44Å; K168-R172 VanDerWaalsContact O-CG 3.27Å; K168-R172 WeakPolarHBondContact O-CG 3.47Å; K168-R172 PolarHBondContact O-N 3.41Å; K168-R172 PolarHBondContact O-NE 3.28Å; K168-R172 VanDerWaalsContact O-NE 3.14Å; V169-R172 PolarHBondContact O-N 3.47Å; L170-R172 PolarHBondContact O-N 3.42Å; R172-G174 VanDerWaalsContact C-N 3.3Å; R172-G174 PolarHBondContact O-N 3.45Å; R172-Q175 PolarHBondContact O-N 2.93Å; R172-N176 WeakPolarHBondContact O-CB 3.32Å; R172-N176 PolarHBondContact O-N 3.1Å; R172-N176 PolarHBondContact O-ND2 3.13Å
173S92.2Very high92.5Very high70 Ų7048.5 Ų48.549%0.4927%0.27SS..Hα-helixtrans-60.2-42.8175.4-172.50000111.6V169 L170 N176 S177V169-S173 PolarHBondContact O-N 2.76Å; L170-S173 WeakPolarHBondContact O-CB 3.3Å; L170-S173 PolarHBondContact O-N 2.72Å; S173-N176 PolarHBondContact O-N 2.93Å; S173-S177 PolarHBondContact O-N 2.87Å; S173-S177 PolarHBondContact O-OG 3.31Å
174G93.6Very high92.4Very high9 Ų956.3 Ų56.39%0.09330%0.299CS..Hα-helixtrans-61.3-50.4174.600000112.7Q149 L170 F171 R172 N176 S177 L178Q149-G174 PolarHBondContact NE2-O 3.5Å; L170-G174 PolarHBondContact O-N 2.95Å; F171-G174 PolarHBondContact O-N 2.88Å; R172-G174 VanDerWaalsContact C-N 3.3Å; R172-G174 PolarHBondContact O-N 3.45Å; G174-N176 VanDerWaalsContact C-N 3.34Å; G174-N176 PolarHBondContact O-N 2.95Å; G174-S177 WeakPolarHBondContact O-CB 3.29Å; G174-S177 PolarHBondContact O-N 2.84Å; G174-S177 VanDerWaalsContact O-N 3.13Å; G174-L178 PolarHBondContact O-N 2.71Å
175Q93.2Very high92.3Very high22 Ų2261.8 Ų61.810%0.10333%0.325CS..Hα-helixtrans-61.2-40.1178.2-77.8-69.5-15.800112.8S148 A151 F171 R172 S177 L178 N179S148-Q175 VanDerWaalsContact O-CD 3.32Å; S148-Q175 PolarHBondContact O-NE2 3.03Å; S148-Q175 VanDerWaalsContact O-NE2 3.1Å; A151-Q175 PolarHBondContact O-NE2 3.21Å; A151-Q175 PolarHBondContact O-OE1 2.95Å; F171-Q175 HydrophobicContact CD1-CG 4Å; F171-Q175 HydrophobicContact CE1-CG 3.59Å; F171-Q175 HydrophobicContact CZ-CG 4.09Å; F171-Q175 WeakPolarHBondContact O-CG 3.29Å; F171-Q175 PolarHBondContact O-N 3.19Å; R172-Q175 PolarHBondContact O-N 2.93Å; Q175-S177 VanDerWaalsContact C-N 3.31Å; Q175-S177 PolarHBondContact O-N 3.46Å; Q175-L178 PolarHBondContact O-N 3.16Å; Q175-N179 WeakPolarHBondContact O-CB 3.48Å; Q175-N179 VanDerWaalsContact O-CG 3.29Å; Q175-N179 PolarHBondContact O-N 2.97Å; Q175-N179 PolarHBondContact O-ND2 3.03Å
176N91.6Very high92.3Very high115 Ų11565.7 Ų65.762%0.61534%0.339SS*.Hα-helixtrans-62.6-40.1175-71.3-15.6000111.6R172 S173 G174 G180R172-N176 WeakPolarHBondContact O-CB 3.32Å; R172-N176 PolarHBondContact O-N 3.1Å; R172-N176 PolarHBondContact O-ND2 3.13Å; S173-N176 PolarHBondContact O-N 2.93Å; G174-N176 VanDerWaalsContact C-N 3.34Å; G174-N176 PolarHBondContact O-N 2.95Å; N176-G180 PolarHBondContact O-N 3.4Å
177S92.4Very high92.2Very high70 Ų7064.2 Ų64.249%0.4934%0.343SS..Hα-helixtrans-65.2-46.5176.9-57.60000111.8S173 G174 Q175 G180 F181S173-S177 PolarHBondContact O-N 2.87Å; S173-S177 PolarHBondContact O-OG 3.31Å; G174-S177 WeakPolarHBondContact O-CB 3.29Å; G174-S177 PolarHBondContact O-N 2.84Å; G174-S177 VanDerWaalsContact O-N 3.13Å; Q175-S177 VanDerWaalsContact C-N 3.31Å; Q175-S177 PolarHBondContact O-N 3.46Å; S177-G180 PolarHBondContact O-N 3.45Å; S177-F181 WeakPolarHBondContact O-CB 3.24Å; S177-F181 PolarHBondContact O-N 3.36Å
178L92.6Very high91.7Very high21 Ų2169.9 Ų69.911%0.1137%0.369CS..Hα-helixtrans-59.8-50.2177176.763.6000111.6Q149 Y152 G174 Q175 G180 F181 Q182Q149-L178 WeakPolarHBondContact O-CD1 3.5Å; Q149-L178 VanDerWaalsContact O-CD2 3.29Å; Q149-L178 WeakPolarHBondContact O-CD2 3.3Å; Y152-L178 HydrophobicContact CD2-CD2 4.36Å; Y152-L178 HydrophobicContact CD2-CG 4.31Å; G174-L178 PolarHBondContact O-N 2.71Å; Q175-L178 PolarHBondContact O-N 3.16Å; L178-G180 VanDerWaalsContact C-N 3.33Å; L178-G180 PolarHBondContact O-N 2.86Å; L178-F181 PolarHBondContact O-N 3.29Å; L178-Q182 HydrophobicContact CD1-CG 4.27Å; L178-Q182 WeakPolarHBondContact O-CB 3.29Å; L178-Q182 WeakPolarHBondContact O-CG 3.4Å; L178-Q182 PolarHBondContact O-N 2.9Å
179N91.1Very high91Very high67 Ų6771.8 Ų71.836%0.35839%0.391SS..Hα-helixtrans-64-38.8179.4-72.4-45.3000112Y152 Q175 G183Y152-N179 WeakPolarHBondContact CD2-OD1 3.32Å; Y152-N179 VanDerWaalsContact CE2-OD1 3.29Å; Y152-N179 WeakPolarHBondContact CE2-OD1 3.21Å; Q175-N179 WeakPolarHBondContact O-CB 3.48Å; Q175-N179 VanDerWaalsContact O-CG 3.29Å; Q175-N179 PolarHBondContact O-N 2.97Å; Q175-N179 PolarHBondContact O-ND2 3.03Å; N179-G183 PolarHBondContact O-N 3.28Å
180G90.4Very high90.5Very high46 Ų4672.6 Ų72.647%0.47441%0.405SS..Hα-helixtrans-62.3-4617500000112.4N176 S177 L178 G183 W184N176-G180 PolarHBondContact O-N 3.4Å; S177-G180 PolarHBondContact O-N 3.45Å; L178-G180 VanDerWaalsContact C-N 3.33Å; L178-G180 PolarHBondContact O-N 2.86Å; G180-G183 PolarHBondContact O-N 3.19Å; G180-W184 PolarHBondContact O-N 3.38Å
181F91.8Very high90Very high111 Ų11176.2 Ų76.249%0.48742%0.42SS..Hα-helixtrans-63.9-46.2177-179.4-100.5000112S177 L178 G183 W184 E185S177-F181 WeakPolarHBondContact O-CB 3.24Å; S177-F181 PolarHBondContact O-N 3.36Å; L178-F181 PolarHBondContact O-N 3.29Å; F181-G183 VanDerWaalsContact C-N 3.34Å; F181-G183 PolarHBondContact O-N 3.33Å; F181-W184 AromaticContact CD2-CE3 3.99Å; F181-W184 HydrophobicContact CD2-CE3 3.99Å; F181-W184 HydrophobicContact CD2-CZ3 4.31Å; F181-W184 AromaticContact CE2-CE3 3.77Å; F181-W184 HydrophobicContact CE2-CE3 3.77Å; F181-W184 AromaticContact CE2-CZ3 3.62Å; F181-W184 HydrophobicContact CE2-CZ3 3.62Å; F181-W184 HydrophobicContact CZ-CE3 4.43Å; F181-W184 HydrophobicContact CZ-CZ3 4.14Å; F181-W184 WeakPolarHBondContact O-CB 3.38Å; F181-W184 PolarHBondContact O-N 3.23Å; F181-W184 VanDerWaalsContact O-N 3.15Å; F181-E185 WeakPolarHBondContact O-CB 3.4Å; F181-E185 PolarHBondContact O-N 3.37Å
182Q91.1Very high89.3Confident40 Ų4084.3 Ų84.319%0.18746%0.463CS..Hα-helixtrans-61.6-39.2177.3-75.8-64.9-43.600112.7Y152 L178 E185 K186Y152-Q182 HydrophobicContact CD2-CB 4.44Å; Y152-Q182 HydrophobicContact CD2-CG 3.98Å; Y152-Q182 HydrophobicContact CE2-CB 3.72Å; Y152-Q182 HydrophobicContact CE2-CG 3.75Å; L178-Q182 HydrophobicContact CD1-CG 4.27Å; L178-Q182 WeakPolarHBondContact O-CB 3.29Å; L178-Q182 WeakPolarHBondContact O-CG 3.4Å; L178-Q182 PolarHBondContact O-N 2.9Å; Q182-E185 PolarHBondContact NE2-OE2 3.42Å; Q182-E185 VanDerWaalsContact NE2-OE2 3.13Å; Q182-K186 WeakPolarHBondContact O-CB 3.25Å; Q182-K186 VanDerWaalsContact O-CG 3.3Å; Q182-K186 WeakPolarHBondContact O-CG 3.38Å; Q182-K186 PolarHBondContact O-N 2.95Å; Q182-K186 VanDerWaalsContact O-N 3.15Å
183G90.1Very high88.7Confident13 Ų1382.5 Ų82.513%0.13447%0.467CS..Hα-helixtrans-66.9-36174.700000112.8N179 G180 F181 G187 Q188 A189N179-G183 PolarHBondContact O-N 3.28Å; G180-G183 PolarHBondContact O-N 3.19Å; F181-G183 VanDerWaalsContact C-N 3.34Å; F181-G183 PolarHBondContact O-N 3.33Å; G183-G187 PolarHBondContact O-N 3.02Å; G183-Q188 WeakPolarHBondContact O-CB 3.24Å; G183-Q188 PolarHBondContact O-N 3.38Å; G183-A189 PolarHBondContact O-N 3.44Å
184W92.6Very high88.1Confident169 Ų16981.7 Ų81.764%0.6447%0.465SS*.Hα-helixtrans-67.7-47.4173.7170.480.2000112.2G180 F181 K186 G187 A189G180-W184 PolarHBondContact O-N 3.38Å; F181-W184 AromaticContact CD2-CE3 3.99Å; F181-W184 HydrophobicContact CD2-CE3 3.99Å; F181-W184 HydrophobicContact CD2-CZ3 4.31Å; F181-W184 AromaticContact CE2-CE3 3.77Å; F181-W184 HydrophobicContact CE2-CE3 3.77Å; F181-W184 AromaticContact CE2-CZ3 3.62Å; F181-W184 HydrophobicContact CE2-CZ3 3.62Å; F181-W184 HydrophobicContact CZ-CE3 4.43Å; F181-W184 HydrophobicContact CZ-CZ3 4.14Å; F181-W184 WeakPolarHBondContact O-CB 3.38Å; F181-W184 PolarHBondContact O-N 3.23Å; F181-W184 VanDerWaalsContact O-N 3.15Å; W184-K186 PolarHBondContact O-N 3.32Å; W184-G187 PolarHBondContact O-N 2.99Å; W184-A189 HydrophobicContact CB-CB 4.26Å
185E93.1Very high87.3Confident119 Ų11983 Ų8356%0.55647%0.473SS*.Hα-helixtrans-57.6-37.5178.9-176.5176.7-151.400111.8F181 Q182 G187F181-E185 WeakPolarHBondContact O-CB 3.4Å; F181-E185 PolarHBondContact O-N 3.37Å; Q182-E185 PolarHBondContact NE2-OE2 3.42Å; Q182-E185 VanDerWaalsContact NE2-OE2 3.13Å; E185-G187 VanDerWaalsContact C-N 3.26Å; E185-G187 PolarHBondContact O-N 3.38Å
186K92.1Very high86.2Confident105 Ų10583.8 Ų83.846%0.45748%0.48SS..THydrogen-bonded Turntrans-81.52.7177.2-65.8170.7-170.8174.70114.1Y152 Q182 W184 Q188Y152-K186 PolarHBondContact OH-NZ 3.47Å; Q182-K186 WeakPolarHBondContact O-CB 3.25Å; Q182-K186 VanDerWaalsContact O-CG 3.3Å; Q182-K186 WeakPolarHBondContact O-CG 3.38Å; Q182-K186 PolarHBondContact O-N 2.95Å; Q182-K186 VanDerWaalsContact O-N 3.15Å; W184-K186 PolarHBondContact O-N 3.32Å; K186-Q188 HydrophobicContact CB-CG 4.08Å; K186-Q188 PolarHBondContact O-N 2.92Å
187G88.7Confident85Confident46 Ų4681.2 Ų81.247%0.47447%0.466SS..THydrogen-bonded Turntrans70.25.7-178.100000115G183 W184 E185 A189 A190G183-G187 PolarHBondContact O-N 3.02Å; W184-G187 PolarHBondContact O-N 2.99Å; E185-G187 VanDerWaalsContact C-N 3.26Å; E185-G187 PolarHBondContact O-N 3.38Å; G187-A189 PolarHBondContact O-N 3.36Å; G187-A190 PolarHBondContact O-N 2.87Å
188Q84.3Confident84Confident122 Ų12281.6 Ų81.657%0.5747%0.466SS*.G310 helixtrans-68.9-25.1-179.9-63176.7-2500111.9G183 K186 A190 Q191G183-Q188 WeakPolarHBondContact O-CB 3.24Å; G183-Q188 PolarHBondContact O-N 3.38Å; K186-Q188 HydrophobicContact CB-CG 4.08Å; K186-Q188 PolarHBondContact O-N 2.92Å; Q188-A190 PolarHBondContact O-N 3.17Å; Q188-Q191 PolarHBondContact O-N 2.96Å
189A80.1Confident82.8Confident71 Ų7184.9 Ų84.959%0.58748%0.483SS*.G310 helixtrans-65.6-14.9176.700000114.2G183 W184 G187 Q191G183-A189 PolarHBondContact O-N 3.44Å; W184-A189 HydrophobicContact CB-CB 4.26Å; G187-A189 PolarHBondContact O-N 3.36Å; A189-Q191 VanDerWaalsContact C-N 3.35Å
190A80.9Confident81.7Confident91 Ų9185.5 Ų85.575%0.75249%0.486SS*.G310 helixtrans-79.2-17.5177.100000113.2G187 Q188G187-A190 PolarHBondContact O-N 2.87Å; Q188-A190 PolarHBondContact O-N 3.17Å
191Q80.4Confident80.5Confident147 Ų14790.5 Ų90.569%0.68749%0.492SS*.SBendtrans-83.8120.9-179.3-169.8176.8-1.100110.6Q188 A189 T193Q188-Q191 PolarHBondContact O-N 2.96Å; A189-Q191 VanDerWaalsContact C-N 3.35Å; Q191-T193 PolarHBondContact O-N 3.19Å
192L81.2Confident79Confident175 Ų17594 Ų9492%0.91650%0.502SS*.  trans-72.5110.5172.8-66.3174.5000109.7
193T80.4Confident77.5Confident103 Ų10399.2 Ų99.263%0.63252%0.524SS*.PPolyproline II helixtrans-96.2149.3171.952.70000110.5Q191 S195Q191-T193 PolarHBondContact O-N 3.19Å; T193-S195 PolarHBondContact O-N 2.95Å
194A79.1Confident75.8Confident54 Ų54106.9 Ų106.945%0.44655%0.549SS..PPolyproline II helixtrans-65.5130.7173.200000109.4L199A194-L199 HydrophobicContact CB-CD2 4.33Å; A194-L199 HydrophobicContact CB-CG 4.42Å
195S75.6Confident74.1Confident36 Ų36106.1 Ų106.125%0.25255%0.55SS..PPolyproline II helixtrans-54.3144175.8169.30000111.1T193 L197 V198 L199T193-S195 PolarHBondContact O-N 2.95Å; S195-L197 PolarHBondContact O-N 3.29Å; S195-L197 PolarHBondContact OG-N 3.38Å; S195-V198 PolarHBondContact O-N 3.46Å; S195-L199 PolarHBondContact O-N 3.15Å
196S70.4Confident72.2Confident38 Ų38105.8 Ų105.827%0.26655%0.552SS.*Hα-helixtrans-47.7-32.6171.961.70000113.5L199 N200S196-L199 PolarHBondContact O-N 3.26Å; S196-N200 WeakPolarHBondContact O-CB 3.48Å; S196-N200 PolarHBondContact O-N 3.41Å; S196-N200 PolarHBondContact O-ND2 3.44Å; S196-N200 VanDerWaalsContact O-ND2 3.12Å
197L67.6Low70.3Confident61 Ų61105.7 Ų105.732%0.31956%0.559SS.*Hα-helixtrans-57.7-50.5173-76.2168.2000112.1S5 S195 N200 Y201S5-L197 WeakPolarHBondContact OG-CD2 3.47Å; S195-L197 PolarHBondContact O-N 3.29Å; S195-L197 PolarHBondContact OG-N 3.38Å; L197-N200 PolarHBondContact O-N 2.93Å; L197-Y201 WeakPolarHBondContact O-CD2 3.37Å; L197-Y201 PolarHBondContact O-N 2.92Å
198V70.1Confident68.5Low78 Ų78109.1 Ų109.147%0.47357%0.567SS.*Hα-helixtrans-67.1-39.6-177.9178.50000111S195 N200 Y201 R202S195-V198 PolarHBondContact O-N 3.46Å; V198-N200 VanDerWaalsContact C-N 3.35Å; V198-Y201 PolarHBondContact O-N 3.31Å; V198-R202 PolarHBondContact O-N 3.34Å
199L68.7Low67.1Low91 Ų91109.1 Ų109.148%0.47658%0.575SS.*Hα-helixtrans-62.3-42.5175.5-65.5175.6000111.6A194 S195 S196 R202 K203A194-L199 HydrophobicContact CB-CD2 4.33Å; A194-L199 HydrophobicContact CB-CG 4.42Å; S195-L199 PolarHBondContact O-N 3.15Å; S196-L199 PolarHBondContact O-N 3.26Å; L199-R202 PolarHBondContact O-N 3.11Å; L199-K203 PolarHBondContact O-N 3.36Å
200N67.6Low65.5Low80 Ų80113.8 Ų113.843%0.42858%0.584SS.*Hα-helixtrans-69.9-39178.5-72.5-28000112.7S196 L197 V198 K203 R204S196-N200 WeakPolarHBondContact O-CB 3.48Å; S196-N200 PolarHBondContact O-N 3.41Å; S196-N200 PolarHBondContact O-ND2 3.44Å; S196-N200 VanDerWaalsContact O-ND2 3.12Å; L197-N200 PolarHBondContact O-N 2.93Å; V198-N200 VanDerWaalsContact C-N 3.35Å; N200-K203 PolarHBondContact O-N 3.11Å; N200-R204 PolarHBondContact O-N 3.41Å; N200-R204 VanDerWaalsContact O-N 3.15Å
201Y64.9Low63.6Low150 Ų150116.6 Ų116.659%0.58860%0.599SS**Hα-helixtrans-63.3-39.8174-88.7-70.8000112.6L197 V198 R204 K205L197-Y201 WeakPolarHBondContact O-CD2 3.37Å; L197-Y201 PolarHBondContact O-N 2.92Å; V198-Y201 PolarHBondContact O-N 3.31Å; Y201-R204 PolarHBondContact O-N 3.04Å; Y201-K205 PolarHBondContact O-N 2.78Å; Y201-K205 VanDerWaalsContact O-N 3.09Å
202R60.1Low62.8Low184 Ų184115.1 Ų115.169%0.69459%0.594SS**Hα-helixtrans-62.5-40.7174.9-96.1-176168.5175.2-2.5112.5V198 L199 K205 L206V198-R202 PolarHBondContact O-N 3.34Å; L199-R202 PolarHBondContact O-N 3.11Å; R202-K205 PolarHBondContact O-N 2.68Å; R202-L206 PolarHBondContact O-N 2.98Å
203K58.9Low61.8Low150 Ų150111.9 Ų111.965%0.65258%0.578SS**Hα-helixtrans-62.7-40.2175.6-77.6-174.4177.1-178.10112.3L199 N200 L206L199-K203 PolarHBondContact O-N 3.36Å; N200-K203 PolarHBondContact O-N 3.11Å; K203-L206 PolarHBondContact O-N 3.33Å
204R55.9Low60.8Low174 Ų174112.4 Ų112.466%0.65758%0.575SS**Hα-helixtrans-66.7-43.3177.7-69.6-179.2-174.6177.10.8112.6N200 Y201 L206 V207 D208N200-R204 PolarHBondContact O-N 3.41Å; N200-R204 VanDerWaalsContact O-N 3.15Å; Y201-R204 PolarHBondContact O-N 3.04Å; R204-L206 VanDerWaalsContact C-N 3.26Å; R204-L206 PolarHBondContact O-N 3.01Å; R204-V207 PolarHBondContact O-N 3.05Å; R204-V207 VanDerWaalsContact O-N 3.13Å; R204-D208 PolarHBondContact O-N 3.15Å
205K55.8Low59.7Low153 Ų153115.9 Ų115.967%0.66558%0.582SS**Hα-helixtrans-62.4-28.7177-76.1-163.5175.6-168.20114.3Y201 R202 V207 V209Y201-K205 PolarHBondContact O-N 2.78Å; Y201-K205 VanDerWaalsContact O-N 3.09Å; R202-K205 PolarHBondContact O-N 2.68Å; K205-V207 VanDerWaalsContact C-N 3.3Å; K205-V209 WeakPolarHBondContact O-CG2 3.37Å; K205-V209 PolarHBondContact O-N 2.86Å
206L52.6Low58.7Low113 Ų113120.9 Ų120.959%0.59260%0.603SS**Hα-helixtrans-69.8-27.9176.6-96.3158.4000112.8R202 K203 R204R202-L206 PolarHBondContact O-N 2.98Å; K203-L206 PolarHBondContact O-N 3.33Å; R204-L206 VanDerWaalsContact C-N 3.26Å; R204-L206 PolarHBondContact O-N 3.01Å
207V53.2Low57.9Low102 Ų102126.4 Ų126.462%0.61863%0.625SS**Hα-helixtrans-73.7-40.2177.4-1770000110.6R204 K205 V209 Q210R204-V207 PolarHBondContact O-N 3.05Å; R204-V207 VanDerWaalsContact O-N 3.13Å; K205-V207 VanDerWaalsContact C-N 3.3Å; V207-V209 VanDerWaalsContact C-N 3.26Å; V207-V209 PolarHBondContact O-N 2.86Å; V207-Q210 PolarHBondContact O-N 3.2Å
208D50.4Low57.3Low119 Ų119131.1 Ų131.164%0.63665%0.647SS**Hα-helixtrans-70.3-16.9179.3-68.4-30000114.1R204 S211R204-D208 PolarHBondContact O-N 3.15Å; D208-S211 PolarHBondContact O-OG 3.13Å
209V55Low56.3Low121 Ų121135.2 Ų135.273%0.73366%0.66SS**THydrogen-bonded Turntrans-90-9.61791750000112K205 V207K205-V209 WeakPolarHBondContact O-CG2 3.37Å; K205-V209 PolarHBondContact O-N 2.86Å; V207-V209 VanDerWaalsContact C-N 3.26Å; V207-V209 PolarHBondContact O-N 2.86Å
210Q45.9Very low55.2Low169 Ų169138.8 Ų138.879%0.7968%0.676SS**  trans-10610.5179.3-69.9-172.8-16.400114.2V207V207-Q210 PolarHBondContact O-N 3.2Å
211S42.4Very low54.1Low151 Ų151144.2 Ų144.2100%1.05670%0.698SS**  trans-1140172.346.90000110.5D208D208-S211 PolarHBondContact O-OG 3.13Å

Retrieved 211 of 211 residues in 318.5 ms (Link to these results)

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